Daily Papers

Large Language Models (LLMs) with a billion or more parameters are prime targets for network pruning, which aims to reduce a portion of the network weights without compromising performance. Prior approaches such as Weights Magnitude, SparseGPT, and Wanda, either concentrated solely on weights or integrated weights with activations for sparsity. However, they overlooked the informative gradients derived from pretrained large language models. In this paper, we present a novel sparsity-centric pruning method for pretrained LLMs, termed Gradient-based Language Model Pruner (GBLM-Pruner). GBLM-Pruner leverages the first-order term of the Taylor expansion, operating in a training-free manner by harnessing properly normalized gradients from a few calibration samples to determine the importance pruning score, and substantially outperforms competitive counterparts like SparseGPT and Wanda in multiple benchmarks. Intriguing, after incorporating gradients, the unstructured pruning method tends to reveal some structural patterns post-pruning, which mirrors the geometric interdependence inherent in the LLMs' parameter structure. Additionally, GBLM-Pruner functions without any subsequent retraining or weight updates to maintain its simplicity as other counterparts. Extensive evaluations on LLaMA-1 and LLaMA-2 across various language benchmarks and perplexity show that GBLM-Pruner surpasses magnitude pruning, Wanda (weights+activations) and SparseGPT (weights+activations+weight update) by significant margins. Our code and models are available at https://github.com/RocktimJyotiDas/GBLM-Pruner.

As pre-trained models automate many code intelligence tasks, a widely used paradigm is to fine-tune a model on the task dataset for each programming language. A recent study reported that multilingual fine-tuning benefits a range of tasks and models. However, we find that multilingual fine-tuning leads to performance degradation on recent models UniXcoder and CodeT5. To alleviate the potentially catastrophic forgetting issue in multilingual models, we fix all pre-trained model parameters, insert the parameter-efficient structure adapter, and fine-tune it. Updating only 0.6\% of the overall parameters compared to full-model fine-tuning for each programming language, adapter tuning yields consistent improvements on code search and summarization tasks, achieving state-of-the-art results. In addition, we experimentally show its effectiveness in cross-lingual and low-resource scenarios. Multilingual fine-tuning with 200 samples per programming language approaches the results fine-tuned with the entire dataset on code summarization. Our experiments on three probing tasks show that adapter tuning significantly outperforms full-model fine-tuning and effectively overcomes catastrophic forgetting.

We propose a deep learning method for single image super-resolution (SR). Our method directly learns an end-to-end mapping between the low/high-resolution images. The mapping is represented as a deep convolutional neural network (CNN) that takes the low-resolution image as the input and outputs the high-resolution one. We further show that traditional sparse-coding-based SR methods can also be viewed as a deep convolutional network. But unlike traditional methods that handle each component separately, our method jointly optimizes all layers. Our deep CNN has a lightweight structure, yet demonstrates state-of-the-art restoration quality, and achieves fast speed for practical on-line usage. We explore different network structures and parameter settings to achieve trade-offs between performance and speed. Moreover, we extend our network to cope with three color channels simultaneously, and show better overall reconstruction quality.

Learning Rate Rewinding (LRR) has been established as a strong variant of Iterative Magnitude Pruning (IMP) to find lottery tickets in deep overparameterized neural networks. While both iterative pruning schemes couple structure and parameter learning, understanding how LRR excels in both aspects can bring us closer to the design of more flexible deep learning algorithms that can optimize diverse sets of sparse architectures. To this end, we conduct experiments that disentangle the effect of mask learning and parameter optimization and how both benefit from overparameterization. The ability of LRR to flip parameter signs early and stay robust to sign perturbations seems to make it not only more effective in mask identification but also in optimizing diverse sets of masks, including random ones. In support of this hypothesis, we prove in a simplified single hidden neuron setting that LRR succeeds in more cases than IMP, as it can escape initially problematic sign configurations.

The early prediction of battery life (EPBL) is vital for enhancing the efficiency and extending the lifespan of lithium batteries. Traditional models with fixed architectures often encounter underfitting or overfitting issues due to the diverse data distributions in different EPBL tasks. An interpretable deep learning model of flexible parallel neural network (FPNN) is proposed, which includes an InceptionBlock, a 3D convolutional neural network (CNN), a 2D CNN, and a dual-stream network. The proposed model effectively extracts electrochemical features from video-like formatted data using the 3D CNN and achieves advanced multi-scale feature abstraction through the InceptionBlock. The FPNN can adaptively adjust the number of InceptionBlocks to flexibly handle tasks of varying complexity in EPBL. The test on the MIT dataset shows that the FPNN model achieves outstanding predictive accuracy in EPBL tasks, with MAPEs of 2.47%, 1.29%, 1.08%, and 0.88% when the input cyclic data volumes are 10, 20, 30, and 40, respectively. The interpretability of the FPNN is mainly reflected in its flexible unit structure and parameter selection: its diverse branching structure enables the model to capture features at different scales, thus allowing the machine to learn informative features. The approach presented herein provides an accurate, adaptable, and comprehensible solution for early life prediction of lithium batteries, opening new possibilities in the field of battery health monitoring.

Unit testing is an essential activity in software development for verifying the correctness of software components. However, manually writing unit tests is challenging and time-consuming. The emergence of Large Language Models (LLMs) offers a new direction for automating unit test generation. Existing research primarily focuses on closed-source LLMs (e.g., ChatGPT and CodeX) with fixed prompting strategies, leaving the capabilities of advanced open-source LLMs with various prompting settings unexplored. Particularly, open-source LLMs offer advantages in data privacy protection and have demonstrated superior performance in some tasks. Moreover, effective prompting is crucial for maximizing LLMs' capabilities. In this paper, we conduct the first empirical study to fill this gap, based on 17 Java projects, five widely-used open-source LLMs with different structures and parameter sizes, and comprehensive evaluation metrics. Our findings highlight the significant influence of various prompt factors, show the performance of open-source LLMs compared to the commercial GPT-4 and the traditional Evosuite, and identify limitations in LLM-based unit test generation. We then derive a series of implications from our study to guide future research and practical use of LLM-based unit test generation.

Recent efforts to scale Transformer models have demonstrated rapid progress across a wide range of tasks (Wei et al., 2022). However, fine-tuning these models for downstream tasks is expensive due to their large parameter counts. Parameter-efficient fine-tuning (PEFT) approaches have emerged as a viable alternative by allowing us to fine-tune models by updating only a small number of parameters. In this work, we propose a general framework for parameter efficient fine-tuning (PEFT), based on structured unrestricted-rank matrices (SURM) which can serve as a drop-in replacement for popular approaches such as Adapters and LoRA. Unlike other methods like LoRA, SURMs provides more flexibility in finding the right balance between compactness and expressiveness. This is achieved by using low displacement rank matrices (LDRMs), which hasn't been used in this context before. SURMs remain competitive with baselines, often providing significant quality improvements while using a smaller parameter budget. SURMs achieve 5-7% accuracy gains on various image classification tasks while replacing low-rank matrices in LoRA. It also results in up to 12x reduction of the number of parameters in adapters (with virtually no loss in quality) on the GLUE benchmark.

Prompt tuning for pre-trained masked language models (MLM) has shown promising performance in natural language processing tasks with few labeled examples. It tunes a prompt for the downstream task, and a verbalizer is used to bridge the predicted token and label prediction. Due to the limited training data, prompt initialization is crucial for prompt tuning. Recently, MetaPrompting (Hou et al., 2022) uses meta-learning to learn a shared initialization for all task-specific prompts. However, a single initialization is insufficient to obtain good prompts for all tasks and samples when the tasks are complex. Moreover, MetaPrompting requires tuning the whole MLM, causing a heavy burden on computation and memory as the MLM is usually large. To address these issues, we use a prompt pool to extract more task knowledge and construct instance-dependent prompts via attention. We further propose a novel soft verbalizer (RepVerb) which constructs label embedding from feature embeddings directly. Combining meta-learning the prompt pool and RepVerb, we propose MetaPrompter for effective structured prompting. MetaPrompter is parameter-efficient as only the pool is required to be tuned. Experimental results demonstrate that MetaPrompter performs better than the recent state-of-the-arts and RepVerb outperforms existing soft verbalizers.

Humans excel at reusing prior knowledge to address new challenges and developing skills while solving problems. This paradigm becomes increasingly popular in the development of autonomous agents, as it develops systems that can self-evolve in response to new challenges like human beings. However, previous methods suffer from limited training efficiency when expanding new skills and fail to fully leverage prior knowledge to facilitate new task learning. In this paper, we propose Parametric Skill Expansion and Composition (PSEC), a new framework designed to iteratively evolve the agents' capabilities and efficiently address new challenges by maintaining a manageable skill library. This library can progressively integrate skill primitives as plug-and-play Low-Rank Adaptation (LoRA) modules in parameter-efficient finetuning, facilitating efficient and flexible skill expansion. This structure also enables the direct skill compositions in parameter space by merging LoRA modules that encode different skills, leveraging shared information across skills to effectively program new skills. Based on this, we propose a context-aware module to dynamically activate different skills to collaboratively handle new tasks. Empowering diverse applications including multi-objective composition, dynamics shift, and continual policy shift, the results on D4RL, DSRL benchmarks, and the DeepMind Control Suite show that PSEC exhibits superior capacity to leverage prior knowledge to efficiently tackle new challenges, as well as expand its skill libraries to evolve the capabilities. Project website: https://ltlhuuu.github.io/PSEC/.

Personalized portrait synthesis, essential in domains like social entertainment, has recently made significant progress. Person-wise fine-tuning based methods, such as LoRA and DreamBooth, can produce photorealistic outputs but need training on individual samples, consuming time and resources and posing an unstable risk. Adapter based techniques such as IP-Adapter freeze the foundational model parameters and employ a plug-in architecture to enable zero-shot inference, but they often exhibit a lack of naturalness and authenticity, which are not to be overlooked in portrait synthesis tasks. In this paper, we introduce a parameter-efficient adaptive generation method, namely HyperLoRA, that uses an adaptive plug-in network to generate LoRA weights, merging the superior performance of LoRA with the zero-shot capability of adapter scheme. Through our carefully designed network structure and training strategy, we achieve zero-shot personalized portrait generation (supporting both single and multiple image inputs) with high photorealism, fidelity, and editability.

Popular parameter-efficient fine-tuning (PEFT) methods, such as LoRA and its variants, freeze pre-trained model weights \(W\) and inject learnable matrices \(\Delta W\). These \(\Delta W\) matrices are structured for efficient parameterization, often using techniques like low-rank approximations or scaling vectors. However, these methods typically show a performance gap compared to full fine-tuning. Although recent PEFT methods have narrowed this gap, they do so at the cost of additional learnable parameters. We propose SVFT, a simple approach that fundamentally differs from existing methods: the structure imposed on \(\Delta W\) depends on the specific weight matrix \(W\). Specifically, SVFT updates \(W\) as a sparse combination of outer products of its singular vectors, training only the coefficients (scales) of these sparse combinations. This approach allows fine-grained control over expressivity through the number of coefficients. Extensive experiments on language and vision benchmarks show that SVFT recovers up to 96% of full fine-tuning performance while training only 0.006 to 0.25% of parameters, outperforming existing methods that only recover up to 85% performance using 0.03 to 0.8% of the trainable parameter budget.

DNN pruning is a popular way to reduce the size of a model, improve the inference latency, and minimize the power consumption on DNN accelerators. However, existing approaches might be too complex, expensive or ineffective to apply to a variety of vision/language tasks, DNN architectures and to honor structured pruning constraints. In this paper, we propose an efficient yet effective train-time pruning scheme, Parameter-free Differentiable Pruning (PDP), which offers state-of-the-art qualities in model size, accuracy, and training cost. PDP uses a dynamic function of weights during training to generate soft pruning masks for the weights in a parameter-free manner for a given pruning target. While differentiable, the simplicity and efficiency of PDP make it universal enough to deliver state-of-the-art random/structured/channel pruning results on various vision and natural language tasks. For example, for MobileNet-v1, PDP can achieve 68.2% top-1 ImageNet1k accuracy at 86.6% sparsity, which is 1.7% higher accuracy than those from the state-of-the-art algorithms. Also, PDP yields over 83.1% accuracy on Multi-Genre Natural Language Inference with 90% sparsity for BERT, while the next best from the existing techniques shows 81.5% accuracy. In addition, PDP can be applied to structured pruning, such as N:M pruning and channel pruning. For 1:4 structured pruning of ResNet18, PDP improved the top-1 ImageNet1k accuracy by over 3.6% over the state-of-the-art. For channel pruning of ResNet50, PDP reduced the top-1 ImageNet1k accuracy by 0.6% from the state-of-the-art.

Large pre-trained models (LPMs), such as LLaMA and GLM, have shown exceptional performance across various tasks through fine-tuning. Although low-rank adaption (LoRA) has emerged to cheaply fine-tune these LPMs on downstream tasks, their deployment is still hindered by the vast model scale and computational costs. Neural network pruning offers a way to compress LPMs. However, the current pruning methods designed for LPMs are not compatible with LoRA. This is due to their utilization of unstructured pruning on LPMs, impeding the merging of LoRA weights, or their dependence on the gradients of pre-trained weights to guide pruning, which can impose significant memory overhead. To this end, we propose LoRAPrune, a new framework that delivers an accurate, compact model for efficient inference in a highly memory-effective manner. Specifically, we first design a LoRA-guided pruning criterion, which uses the weights and gradients of LoRA, rather than the gradients of pre-trained weights for importance estimation. We then propose a structured iterative pruning procedure, to remove redundant channels and heads. Extensive experimental results demonstrate the superior performance of our LoRAPrune over existing approaches on the LLaMA series models. For instance, at a 50\% compression rate, LoRAPrune outperforms LLM-Pruner by a perplexity reduction of 8.0 on WikiText2 and 16.05 on PTB datasets, while concurrently reducing memory usage by 52.6\%. The code will be released after review

Fine-tuning large-scale pre-trained models is inherently a resource-intensive task. While it can enhance the capabilities of the model, it also incurs substantial computational costs, posing challenges to the practical application of downstream tasks. Existing parameter-efficient fine-tuning (PEFT) methods such as Low-Rank Adaptation (LoRA) rely on a bypass framework that ignores the differential parameter budget requirements across weight matrices, which may lead to suboptimal fine-tuning outcomes. To address this issue, we introduce the Dynamic Low-Rank Adaptation (DoRA) method. DoRA decomposes high-rank LoRA layers into structured single-rank components, allowing for dynamic pruning of parameter budget based on their importance to specific tasks during training, which makes the most of the limited parameter budget. Experimental results demonstrate that DoRA can achieve competitive performance compared with LoRA and full model fine-tuning, and outperform various strong baselines with the same storage parameter budget. Our code is available at https://github.com/MIkumikumi0116/DoRA

Large language models (LLMs) show excellent performance in difficult tasks, but they often require massive memories and computational resources. How to reduce the parameter scale of LLMs has become research hotspots. In this study, we make an important observation that the multi-head self-attention (MHA) sub-layer of Transformer exhibits noticeable low-rank structure, while the feed-forward network (FFN) sub-layer does not. With this regard, we design a mixed compression model, which organically combines Low-Rank matrix approximation And structured Pruning (LoRAP). For the MHA sub-layer, we propose an input activation weighted singular value decomposition method to strengthen the low-rank characteristic. Furthermore, we discover that the weight matrices in MHA sub-layer have different low-rank degrees. Thus, a novel parameter allocation scheme according to the discrepancy of low-rank degrees is devised. For the FFN sub-layer, we propose a gradient-free structured channel pruning method. During the pruning, we get an interesting finding that the least important 1% of parameter actually play a vital role in model performance. Extensive evaluations on zero-shot perplexity and zero-shot task classification indicate that our proposal is superior to previous structured compression rivals under multiple compression ratios.

Deep reinforcement learning (RL) methods generally engage in exploratory behavior through noise injection in the action space. An alternative is to add noise directly to the agent's parameters, which can lead to more consistent exploration and a richer set of behaviors. Methods such as evolutionary strategies use parameter perturbations, but discard all temporal structure in the process and require significantly more samples. Combining parameter noise with traditional RL methods allows to combine the best of both worlds. We demonstrate that both off- and on-policy methods benefit from this approach through experimental comparison of DQN, DDPG, and TRPO on high-dimensional discrete action environments as well as continuous control tasks. Our results show that RL with parameter noise learns more efficiently than traditional RL with action space noise and evolutionary strategies individually.

Large Language Models (LLMs) are distinguished by their massive parameter counts, which typically result in significant redundancy. This work introduces MaskLLM, a learnable pruning method that establishes Semi-structured (or ``N:M'') Sparsity in LLMs, aimed at reducing computational overhead during inference. Instead of developing a new importance criterion, MaskLLM explicitly models N:M patterns as a learnable distribution through Gumbel Softmax sampling. This approach facilitates end-to-end training on large-scale datasets and offers two notable advantages: 1) High-quality Masks - our method effectively scales to large datasets and learns accurate masks; 2) Transferability - the probabilistic modeling of mask distribution enables the transfer learning of sparsity across domains or tasks. We assessed MaskLLM using 2:4 sparsity on various LLMs, including LLaMA-2, Nemotron-4, and GPT-3, with sizes ranging from 843M to 15B parameters, and our empirical results show substantial improvements over state-of-the-art methods. For instance, leading approaches achieve a perplexity (PPL) of 10 or greater on Wikitext compared to the dense model's 5.12 PPL, but MaskLLM achieves a significantly lower 6.72 PPL solely by learning the masks with frozen weights. Furthermore, MaskLLM's learnable nature allows customized masks for lossless application of 2:4 sparsity to downstream tasks or domains. Code is available at https://github.com/NVlabs/MaskLLM.

The increasing size of language models raises great research interests in parameter-efficient fine-tuning such as LoRA that freezes the pre-trained model, and injects small-scale trainable parameters for multiple downstream tasks (e.g., summarization, question answering and translation). To further enhance the efficiency of fine-tuning, we propose a framework that integrates LoRA and structured layer pruning. The integrated framework is validated on two created deidentified medical report summarization datasets based on MIMIC-IV-Note and two public medical dialogue datasets. By tuning 0.6% parameters of the original model and pruning over 30% Transformer-layers, our framework can reduce 50% of GPU memory usage and speed up 100% of the training phase, while preserving over 92% generation qualities on free-text sequence-to-sequence tasks.

We introduce the category of information structures, whose objects are suitable diagrams of measurable sets that encode the possible outputs of a given family of observables and their mutual relationships of refinement; they serve as mathematical models of contextuality in classical and quantum settings. Each information structure can be regarded as a ringed site with trivial topology; the structure ring is generated by the observables themselves and its multiplication corresponds to joint measurement. We extend Baudot and Bennequin's definition of information cohomology to this setting, as a derived functor in the category of modules over the structure ring, and show explicitly that the bar construction gives a projective resolution in that category, recovering in this way the cochain complexes previously considered in the literature. Finally, we study the particular case of a one-parameter family of coefficients made of functions of probability distributions. The only 1-cocycles are Shannon entropy or Tsallis alpha-entropy, depending on the value of the parameter.

Large foundation models are becoming ubiquitous, but training them from scratch is prohibitively expensive. Thus, efficiently adapting these powerful models to downstream tasks is increasingly important. In this paper, we study a principled finetuning paradigm -- Orthogonal Finetuning (OFT) -- for downstream task adaptation. Despite demonstrating good generalizability, OFT still uses a fairly large number of trainable parameters due to the high dimensionality of orthogonal matrices. To address this, we start by examining OFT from an information transmission perspective, and then identify a few key desiderata that enable better parameter-efficiency. Inspired by how the Cooley-Tukey fast Fourier transform algorithm enables efficient information transmission, we propose an efficient orthogonal parameterization using butterfly structures. We apply this parameterization to OFT, creating a novel parameter-efficient finetuning method, called Orthogonal Butterfly (BOFT). By subsuming OFT as a special case, BOFT introduces a generalized orthogonal finetuning framework. Finally, we conduct an extensive empirical study of adapting large vision transformers, large language models, and text-to-image diffusion models to various downstream tasks in vision and language.

With the dramatically increased number of parameters in language models, sparsity methods have received ever-increasing research focus to compress and accelerate the models. While most research focuses on how to accurately retain appropriate weights while maintaining the performance of the compressed model, there are challenges in the computational overhead and memory footprint of sparse training when compressing large-scale language models. To address this problem, we propose a Parameter-efficient Sparse Training (PST) method to reduce the number of trainable parameters during sparse-aware training in downstream tasks. Specifically, we first combine the data-free and data-driven criteria to efficiently and accurately measure the importance of weights. Then we investigate the intrinsic redundancy of data-driven weight importance and derive two obvious characteristics i.e., low-rankness and structuredness. Based on that, two groups of small matrices are introduced to compute the data-driven importance of weights, instead of using the original large importance score matrix, which therefore makes the sparse training resource-efficient and parameter-efficient. Experiments with diverse networks (i.e., BERT, RoBERTa and GPT-2) on dozens of datasets demonstrate PST performs on par or better than previous sparsity methods, despite only training a small number of parameters. For instance, compared with previous sparsity methods, our PST only requires 1.5% trainable parameters to achieve comparable performance on BERT.

Large language models (LLMs) have shown impressive capabilities across various tasks. However, training LLMs from scratch requires significant computational power and extensive memory capacity. Recent studies have explored low-rank structures on weights for efficient fine-tuning in terms of parameters and memory, either through low-rank adaptation or factorization. While effective for fine-tuning, low-rank structures are generally less suitable for pretraining because they restrict parameters to a low-dimensional subspace. In this work, we propose to parameterize the weights as a sum of low-rank and sparse matrices for pretraining, which we call SLTrain. The low-rank component is learned via matrix factorization, while for the sparse component, we employ a simple strategy of uniformly selecting the sparsity support at random and learning only the non-zero entries with the fixed support. While being simple, the random fixed-support sparse learning strategy significantly enhances pretraining when combined with low-rank learning. Our results show that SLTrain adds minimal extra parameters and memory costs compared to pretraining with low-rank parameterization, yet achieves substantially better performance, which is comparable to full-rank training. Remarkably, when combined with quantization and per-layer updates, SLTrain can reduce memory requirements by up to 73% when pretraining the LLaMA 7B model.

Pre-trained language models (LMs) are capable of in-context learning (ICL): they can adapt to a task with only a few examples given in the prompt without any parameter update. However, it is unclear where this capability comes from as there is a stark distribution shift between pre-training text and ICL prompts. In this work, we study what patterns of the pre-training data contribute to ICL. We find that LMs' ICL ability depends on parallel structures in the pre-training data -- pairs of phrases following similar templates in the same context window. Specifically, we detect parallel structures by checking whether training on one phrase improves prediction of the other, and conduct ablation experiments to study their effect on ICL. We show that removing parallel structures in the pre-training data reduces LMs' ICL accuracy by 51% (vs 2% from random ablation). This drop persists even when excluding common patterns such as n-gram repetitions and long-range dependency, showing the diversity and generality of parallel structures. A closer look at the detected parallel structures indicates that they cover diverse linguistic tasks and span long distances in the data.

This paper presents a Bayesian nonparametric latent feature model specially suitable for exploratory analysis of high-dimensional count data. We perform a non-negative doubly sparse matrix factorization that has two main advantages: not only we are able to better approximate the row input distributions, but the inferred topics are also easier to interpret. By combining the three-parameter and restricted Indian buffet processes into a single prior, we increase the model flexibility, allowing for a full spectrum of sparse solutions in the latent space. We demonstrate the usefulness of our approach in the analysis of countries' economic structure. Compared to other approaches, empirical results show our model's ability to give easy-to-interpret information and better capture the underlying sparsity structure of data.

Large language models (LLMs) have achieved significant progress across various domains, but their increasing scale results in high computational and memory costs. Recent studies have revealed that LLMs exhibit sparsity, providing the potential to reduce model size through pruning techniques. However, existing pruning methods typically follow a prune-then-finetune paradigm. Since the pruned components still contain valuable information, their direct removal often leads to irreversible performance degradation, imposing a substantial computational burden to recover performance during finetuning. In this paper, we propose a novel paradigm that first applies regularization, then prunes, and finally finetunes. Based on this paradigm, we introduce DReSS, a simple and effective Data-driven Regularized Structured Streamlining method for LLMs. By leveraging a small amount of data to regularize the components to be pruned, DReSS explicitly transfers the important information to the remaining parts of the model in advance. Compared to direct pruning, this can reduce the information loss caused by parameter removal, thereby enhancing its language modeling capabilities. Experimental results demonstrate that DReSS significantly outperforms existing pruning methods even under extreme pruning ratios, significantly reducing latency and increasing throughput.

In the continuously advancing AI landscape, crafting context-rich and meaningful responses via Large Language Models (LLMs) is essential. Researchers are becoming more aware of the challenges that LLMs with fewer parameters encounter when trying to provide suitable answers to open-ended questions. To address these hurdles, the integration of cutting-edge strategies, augmentation of rich external domain knowledge to LLMs, offers significant improvements. This paper introduces a novel framework that combines graph-driven context retrieval in conjunction to knowledge graphs based enhancement, honing the proficiency of LLMs, especially in domain specific community question answering platforms like AskUbuntu, Unix, and ServerFault. We conduct experiments on various LLMs with different parameter sizes to evaluate their ability to ground knowledge and determine factual accuracy in answers to open-ended questions. Our methodology GraphContextGen consistently outperforms dominant text-based retrieval systems, demonstrating its robustness and adaptability to a larger number of use cases. This advancement highlights the importance of pairing context rich data retrieval with LLMs, offering a renewed approach to knowledge sourcing and generation in AI systems. We also show that, due to rich contextual data retrieval, the crucial entities, along with the generated answer, remain factually coherent with the gold answer.

Large Language Models (LLMs) for code are a family of high-parameter, transformer-based neural networks pre-trained on massive datasets of both natural and programming languages. These models are rapidly being employed in commercial AI-based developer tools, such as GitHub CoPilot. However, measuring and explaining their effectiveness on programming tasks is a challenging proposition, given their size and complexity. The methods for evaluating and explaining LLMs for code are inextricably linked. That is, in order to explain a model's predictions, they must be reliably mapped to fine-grained, understandable concepts. Once this mapping is achieved, new methods for detailed model evaluations are possible. However, most current explainability techniques and evaluation benchmarks focus on model robustness or individual task performance, as opposed to interpreting model predictions. To this end, this paper introduces ASTxplainer, an explainability method specific to LLMs for code that enables both new methods for LLM evaluation and visualizations of LLM predictions that aid end-users in understanding model predictions. At its core, ASTxplainer provides an automated method for aligning token predictions with AST nodes, by extracting and aggregating normalized model logits within AST structures. To demonstrate the practical benefit of ASTxplainer, we illustrate the insights that our framework can provide by performing an empirical evaluation on 12 popular LLMs for code using a curated dataset of the most popular GitHub projects. Additionally, we perform a user study examining the usefulness of an ASTxplainer-derived visualization of model predictions aimed at enabling model users to explain predictions. The results of these studies illustrate the potential for ASTxplainer to provide insights into LLM effectiveness, and aid end-users in understanding predictions.

The growing size of neural language models has led to increased attention in model compression. The two predominant approaches are pruning, which gradually removes weights from a pre-trained model, and distillation, which trains a smaller compact model to match a larger one. Pruning methods can significantly reduce the model size but hardly achieve large speedups as distillation. However, distillation methods require large amounts of unlabeled data and are expensive to train. In this work, we propose a task-specific structured pruning method CoFi (Coarse- and Fine-grained Pruning), which delivers highly parallelizable subnetworks and matches the distillation methods in both accuracy and latency, without resorting to any unlabeled data. Our key insight is to jointly prune coarse-grained (e.g., layers) and fine-grained (e.g., heads and hidden units) modules, which controls the pruning decision of each parameter with masks of different granularity. We also devise a layerwise distillation strategy to transfer knowledge from unpruned to pruned models during optimization. Our experiments on GLUE and SQuAD datasets show that CoFi yields models with over 10x speedups with a small accuracy drop, showing its effectiveness and efficiency compared to previous pruning and distillation approaches.

We present a self-supervised, time-to-event (TTE) foundation model called MOTOR (Many Outcome Time Oriented Representations) which is pretrained on timestamped sequences of events in electronic health records (EHR) and health insurance claims. TTE models are used for estimating the probability distribution of the time until a specific event occurs, which is an important task in medical settings. TTE models provide many advantages over classification using fixed time horizons, including naturally handling censored observations, but are challenging to train with limited labeled data. MOTOR addresses this challenge by pretraining on up to 55M patient records (9B clinical events). We evaluate MOTOR's transfer learning performance on 19 tasks, across 3 patient databases (a private EHR system, MIMIC-IV, and Merative claims data). Task-specific models adapted from MOTOR improve time-dependent C statistics by 4.6% over state-of-the-art, improve label efficiency by up to 95% ,and are more robust to temporal distributional shifts. We further evaluate cross-site portability by adapting our MOTOR foundation model for six prediction tasks on the MIMIC-IV dataset, where it outperforms all baselines. MOTOR is the first foundation model for medical TTE predictions and we release a 143M parameter pretrained model for research use at [redacted URL].

Large Language Models (LLMs) have become pivotal in advancing the field of artificial intelligence, yet their immense sizes pose significant challenges for both fine-tuning and deployment. Current post-training pruning methods, while reducing the sizes of LLMs, often fail to maintain their original performance. To address these challenges, this paper introduces SPP, a Sparsity-Preserved Parameter-efficient fine-tuning method. Different from existing post-training pruning approaches that struggle with performance retention, SPP proposes to employ lightweight learnable column and row matrices to optimize sparse LLM weights, keeping the structure and sparsity of pruned pre-trained models intact. By element-wise multiplication and residual addition, SPP ensures the consistency of model sparsity pattern and ratio during both training and weight-merging processes. We demonstrate the effectiveness of SPP by applying it to the LLaMA and LLaMA-2 model families with recent post-training pruning methods. Our results show that SPP significantly enhances the performance of models with different sparsity patterns (i.e. unstructured and N:M sparsity), especially for those with high sparsity ratios (e.g. 75%), making it a promising solution for the efficient fine-tuning of sparse LLMs. Code will be made available at https://github.com/Lucky-Lance/SPP.

Multi-task learning (MTL) has shown considerable practical benefits, particularly when using pre-trained language models (PLMs). While this is commonly achieved by simultaneously learning n tasks under a joint optimization procedure, recent methods such as AdapterFusion structure the problem into two distinct stages: (i) task learning, where knowledge specific to a task is encapsulated within sets of parameters (\eg adapters), and (ii) transfer, where this already learned knowledge is leveraged for a target task. This separation of concerns provides numerous benefits, such as promoting reusability, and addressing cases involving data privacy and societal concerns; on the flip side, current two-stage MTL methods come with the cost of introducing a substantial number of additional parameters. In this work, we address this issue by leveraging the usefulness of linearly scaling the output representations of source adapters for transfer learning. We introduce ScaLearn, a simple and highly parameter-efficient two-stage MTL method that capitalizes on the knowledge of the source tasks by learning a minimal set of scaling parameters that enable effective knowledge transfer to a target task. Our experiments on three benchmarks (GLUE, SuperGLUE, and HumSet) show that our ScaLearn, in addition to facilitating the benefits of two-stage MTL, consistently outperforms strong baselines with only a small number of transfer parameters - roughly 0.35% of those of AdapterFusion. Remarkably, we observe that ScaLearn maintains its strong abilities even when further reducing parameters through uniform scaling and layer-sharing, achieving similarly competitive results with only 8 transfer parameters for each target task. Our proposed approach thus demonstrates the power of simple scaling as a promise for more efficient task transfer.

Mixture-of-experts (MoE) models that employ sparse activation have demonstrated effectiveness in significantly increasing the number of parameters while maintaining low computational requirements per token. However, recent studies have established that MoE models are inherently parameter-inefficient as the improvement in performance diminishes with an increasing number of experts. We hypothesize this parameter inefficiency is a result of all experts having equal capacity, which may not adequately meet the varying complexity requirements of different tokens or tasks. In light of this, we propose Stratified Mixture of Experts (SMoE) models, which feature a stratified structure and can assign dynamic capacity to different tokens. We demonstrate the effectiveness of SMoE on three multilingual machine translation benchmarks, containing 4, 15, and 94 language pairs, respectively. We show that SMoE outperforms multiple state-of-the-art MoE models with the same or fewer parameters.

In the present paper we study the singularity structure of the exterior field of neutron stars with the aid of the four-parameter exact solution of the Einstein-Maxwell equations. The complete analysis of this problem in the generic case becomes possible due to the implementation of the novel analytical approach to the resolution of the singularity condition, and it shows the absence of the ring singularities off the symmetry axis in the positive mass case, as well as the possibility of the removal of the ring singularity by a strong magnetic field in the negative mass case. The solution takes an extraordinarily simple form in the equatorial plane, very similar to that of the Kerr solution, which makes it most suitable for astrophysical applications as the simplest model of a rotating magnetized deformed mass. It also provides a nontrivial example confirming a recent claim that the varphi component of the electromagnetic four-potential has features inconsistent with the intrinsic properties of the electrovac metric, while the magnetic field is represented correctly by the t component of the dual electromagnetic four-potential.

We present Generalized LoRA (GLoRA), an advanced approach for universal parameter-efficient fine-tuning tasks. Enhancing Low-Rank Adaptation (LoRA), GLoRA employs a generalized prompt module to optimize pre-trained model weights and adjust intermediate activations, providing more flexibility and capability across diverse tasks and datasets. Moreover, GLoRA facilitates efficient parameter adaptation by employing a scalable, modular, layer-wise structure search that learns individual adapter of each layer. Originating from a unified mathematical formulation, GLoRA exhibits strong transfer learning, few-shot learning and domain generalization abilities, as it adjusts to new tasks through additional dimensions on weights and activations. Comprehensive experiments demonstrate that GLoRA outperforms all previous methods in natural, specialized, and structured benchmarks, achieving superior accuracy with fewer parameters and computations on various datasets. Furthermore, our structural re-parameterization design ensures that GLoRA incurs no extra inference cost, rendering it a practical solution for resource-limited applications. Code is available at: https://github.com/Arnav0400/ViT-Slim/tree/master/GLoRA.

We propose Samba ASR, the first state-of-the-art Automatic Speech Recognition (ASR) model leveraging the novel Mamba architecture as both encoder and decoder, built on the foundation of state-space models (SSMs). Unlike transformer-based ASR models, which rely on self-attention mechanisms to capture dependencies, Samba ASR effectively models both local and global temporal dependencies using efficient state-space dynamics, achieving remarkable performance gains. By addressing the limitations of transformers, such as quadratic scaling with input length and difficulty in handling long-range dependencies, Samba ASR achieves superior accuracy and efficiency. Experimental results demonstrate that Samba ASR surpasses existing open-source transformer-based ASR models across various standard benchmarks, establishing it as the new state of the art in ASR. Extensive evaluations on benchmark datasets show significant improvements in Word Error Rate (WER), with competitive performance even in low-resource scenarios. Furthermore, the computational efficiency and parameter optimization of the Mamba architecture make Samba ASR a scalable and robust solution for diverse ASR tasks. Our contributions include: A new Samba ASR architecture demonstrating the superiority of SSMs over transformer-based models for speech sequence processing. A comprehensive evaluation on public benchmarks showcasing state-of-the-art performance. An analysis of computational efficiency, robustness to noise, and sequence generalization. This work highlights the viability of Mamba SSMs as a transformer-free alternative for efficient and accurate ASR. By leveraging state-space modeling advancements, Samba ASR sets a new benchmark for ASR performance and future research.

Large language model (LLM) training and finetuning are often bottlenecked by limited GPU memory. While existing projection-based optimization methods address this by projecting gradients into a lower-dimensional subspace to reduce optimizer state memory, they typically rely on dense projection matrices, which can introduce computational and memory overheads. In this work, we propose Grass (GRAdient Stuctured Sparsification), a novel approach that leverages sparse projections to transform gradients into structured sparse updates. This design not only significantly reduces memory usage for optimizer states but also minimizes gradient memory footprint, computation, and communication costs, leading to substantial throughput improvements. Extensive experiments on pretraining and finetuning tasks demonstrate that Grass achieves competitive performance to full-rank training and existing projection-based methods. Notably, Grass enables half-precision pretraining of a 13B parameter LLaMA model on a single 40GB A100 GPU--a feat infeasible for previous methods--and yields up to a 2times throughput improvement on an 8-GPU system. Code can be found at https://github.com/aashiqmuhamed/GRASS .

Visual Parameter-Efficient Fine-Tuning (PEFT) has become a powerful alternative for full fine-tuning so as to adapt pre-trained vision models to downstream tasks, which only tunes a small number of parameters while freezing the vast majority ones to ease storage burden and optimization difficulty. However, existing PEFT methods introduce trainable parameters to the same positions across different tasks depending solely on human heuristics and neglect the domain gaps. To this end, we study where to introduce and how to allocate trainable parameters by proposing a novel Sensitivity-aware visual Parameter-efficient fine-Tuning (SPT) scheme, which adaptively allocates trainable parameters to task-specific important positions given a desired tunable parameter budget. Specifically, our SPT first quickly identifies the sensitive parameters that require tuning for a given task in a data-dependent way. Next, our SPT further boosts the representational capability for the weight matrices whose number of sensitive parameters exceeds a pre-defined threshold by utilizing existing structured tuning methods, e.g., LoRA [23] or Adapter [22], to replace directly tuning the selected sensitive parameters (unstructured tuning) under the budget. Extensive experiments on a wide range of downstream recognition tasks show that our SPT is complementary to the existing PEFT methods and largely boosts their performance, e.g., SPT improves Adapter with supervised pre-trained ViT-B/16 backbone by 4.2% and 1.4% mean Top-1 accuracy, reaching SOTA performance on FGVC and VTAB-1k benchmarks, respectively. Source code is at https://github.com/ziplab/SPT

Pruning is a promising approach to compress complex deep learning models in order to deploy them on resource-constrained edge devices. However, many existing pruning solutions are based on unstructured pruning, which yields models that cannot efficiently run on commodity hardware and require users to manually explore and tune the pruning process, which is time-consuming and often leads to sub-optimal results. To address these limitations, this paper presents an adaptive, activation-based, structured pruning approach to automatically and efficiently generate small, accurate, and hardware-efficient models that meet user requirements. First, it proposes iterative structured pruning using activation-based attention feature maps to effectively identify and prune unimportant filters. Then, it proposes adaptive pruning policies for automatically meeting the pruning objectives of accuracy-critical, memory-constrained, and latency-sensitive tasks. A comprehensive evaluation shows that the proposed method can substantially outperform the state-of-the-art structured pruning works on CIFAR-10 and ImageNet datasets. For example, on ResNet-56 with CIFAR-10, without any accuracy drop, our method achieves the largest parameter reduction (79.11%), outperforming the related works by 22.81% to 66.07%, and the largest FLOPs reduction (70.13%), outperforming the related works by 14.13% to 26.53%.

Large reasoning models (LRMs) tackle complex reasoning problems by following long chain-of-thoughts (Long CoT) that incorporate reflection, backtracking, and self-validation. However, the training techniques and data requirements to elicit Long CoT remain poorly understood. In this work, we find that a Large Language model (LLM) can effectively learn Long CoT reasoning through data-efficient supervised fine-tuning (SFT) and parameter-efficient low-rank adaptation (LoRA). With just 17k long CoT training samples, the Qwen2.5-32B-Instruct model achieves significant improvements on a wide range of math and coding benchmarks, including 56.7% (+40.0%) on AIME 2024 and 57.0% (+8.1%) on LiveCodeBench, competitive to the proprietary o1-preview model's score of 44.6% and 59.1%. More importantly, we find that the structure of Long CoT is critical to the learning process, whereas the content of individual reasoning steps has minimal impact. Perturbations affecting content, such as training on incorrect samples or removing reasoning keywords, have little impact on performance. In contrast, structural modifications that disrupt logical consistency in the Long CoT, such as shuffling or deleting reasoning steps, significantly degrade accuracy. For example, a model trained on Long CoT samples with incorrect answers still achieves only 3.2% lower accuracy compared to training with fully correct samples. These insights deepen our understanding of how to elicit reasoning capabilities in LLMs and highlight key considerations for efficiently training the next generation of reasoning models. This is the academic paper of our previous released Sky-T1-32B-Preview model. Codes are available at https://github.com/NovaSky-AI/SkyThought.

Low-Rank Adaptation (LoRA) has achieved remarkable training results by freezing the original weights and training only low-rank matrices, establishing itself as the predominant fine-tuning method for LLMs. In pursuit of performance closer to full-parameter training, a series of LoRA variants have emerged, such as LoRA+, PISSA, Olora, and LoRA-GA. However, these improvements complicate the initial setup of model training and increase initialization time. More importantly, they overlook the internal interactions of the original weight information. To address these issues, we introduce a novel theory, ``Weight Guide'' aimed at continuously guiding trainable matrices through the original weights during training to enhance the utilization of weight information. Based on this theory, we designed a new PEFT technique called Bone (Block Affine), which not only enhances the utilization of original weight information but also emphasizes the internal connections between weights, leading to faster convergence and better data fitting. Experimental comparisons across two different LLM architectures (LLaMA2, RWKV6) and various parameter scales demonstrate that the Bone structure can achieve rapid convergence and superior data fitting without the need for complex initialization. For example, when fine-tuning LLaMA2-7B on the MetaMathQA dataset and validating on GSM8k and math benchmarks, Bone achieved fine-tuning scores of 49.36 and 8.8, respectively, outperforming PISSA by 5.84\% and 1.96\%.

As the research of Multimodal Large Language Models (MLLMs) becomes popular, an advancing MLLM model is typically required to handle various textual and visual tasks (e.g., VQA, Detection, OCR, and ChartQA) simultaneously for real-world applications. However, due to the significant differences in representation and distribution among data from various tasks, simply mixing data of all tasks together leads to the well-known``multi-task conflict" issue, resulting in performance degradation across various tasks. To address this issue, we propose Awaker2.5-VL, a Mixture of Experts~(MoE) architecture suitable for MLLM, which acquires the multi-task capabilities through multiple sparsely activated experts. To speed up the training and inference of Awaker2.5-VL, each expert in our model is devised as a low-rank adaptation (LoRA) structure. Extensive experiments on multiple latest benchmarks demonstrate the effectiveness of Awaker2.5-VL. The code and model weight are released in our Project Page: https://github.com/MetabrainAGI/Awaker.

Semantic parsing, which converts natural language questions into logic forms, plays a crucial role in reasoning within structured environments. However, existing methods encounter two significant challenges: reliance on extensive manually annotated datasets and limited generalization capability to unseen examples. To tackle these issues, we propose Targeted Synthetic Data Generation (TARGA), a practical framework that dynamically generates high-relevance synthetic data without manual annotation. Starting from the pertinent entities and relations of a given question, we probe for the potential relevant queries through layer-wise expansion and cross-layer combination. Then we generate corresponding natural language questions for these constructed queries to jointly serve as the synthetic demonstrations for in-context learning. Experiments on multiple knowledge base question answering (KBQA) datasets demonstrate that TARGA, using only a 7B-parameter model, substantially outperforms existing non-fine-tuned methods that utilize close-sourced model, achieving notable improvements in F1 scores on GrailQA(+7.7) and KBQA-Agent(+12.2). Furthermore, TARGA also exhibits superior sample efficiency, robustness, and generalization capabilities under non-I.I.D. settings.

The extensive need for computational resources poses a significant obstacle to deploying large-scale Deep Neural Networks (DNN) on devices with constrained resources. At the same time, studies have demonstrated that a significant number of these DNN parameters are redundant and extraneous. In this paper, we introduce a novel approach for learning structured sparse neural networks, aimed at bridging the DNN hardware deployment challenges. We develop a novel regularization technique, termed Weighted Group Sparse Envelope Function (WGSEF), generalizing the Sparse Envelop Function (SEF), to select (or nullify) neuron groups, thereby reducing redundancy and enhancing computational efficiency. The method speeds up inference time and aims to reduce memory demand and power consumption, thanks to its adaptability which lets any hardware specify group definitions, such as filters, channels, filter shapes, layer depths, a single parameter (unstructured), etc. The properties of the WGSEF enable the pre-definition of a desired sparsity level to be achieved at the training convergence. In the case of redundant parameters, this approach maintains negligible network accuracy degradation or can even lead to improvements in accuracy. Our method efficiently computes the WGSEF regularizer and its proximal operator, in a worst-case linear complexity relative to the number of group variables. Employing a proximal-gradient-based optimization technique, to train the model, it tackles the non-convex minimization problem incorporating the neural network loss and the WGSEF. Finally, we experiment and illustrate the efficiency of our proposed method in terms of the compression ratio, accuracy, and inference latency.

Attention based language models have become a critical component in state-of-the-art natural language processing systems. However, these models have significant computational requirements, due to long training times, dense operations and large parameter count. In this work we demonstrate a set of modifications to the structure of a Transformer layer, producing a more efficient architecture. First, we add a convolutional module to complement the self-attention module, decoupling the learning of local and global interactions. Secondly, we rely on grouped transformations to reduce the computational cost of dense feed-forward layers and convolutions, while preserving the expressivity of the model. We apply the resulting architecture to language representation learning and demonstrate its superior performance compared to BERT models of different scales. We further highlight its improved efficiency, both in terms of floating-point operations (FLOPs) and time-to-train.

Recent parameter-efficient finetuning (PEFT) techniques aim to improve over the considerable cost of fully finetuning large pretrained language models (PLM). As different PEFT techniques proliferate, it is becoming difficult to compare them, in particular in terms of (i) the structure and functionality they add to the PLM, (ii) the different types and degrees of efficiency improvements achieved, (iii) performance at different downstream tasks, and (iv) how differences in structure and functionality relate to efficiency and task performance. To facilitate such comparisons, this paper presents a reference architecture which standardises aspects shared by different PEFT techniques, while isolating differences to specific locations and interactions with the standard components. Through this process of standardising and isolating differences, a modular view of PEFT techniques emerges, supporting not only direct comparison of different techniques and their efficiency and task performance, but also systematic exploration of reusability and composability of the different types of finetuned modules. We demonstrate how the reference architecture can be applied to understand properties and relative advantages of PEFT techniques, hence to inform selection of techniques for specific tasks, and design choices for new PEFT techniques.

Recent breakthroughs in the field of language-guided image generation have yielded impressive achievements, enabling the creation of high-quality and diverse images based on user instructions.Although the synthesis performance is fascinating, one significant limitation of current image generation models is their insufficient ability to generate text coherently within images, particularly for complex glyph structures like Chinese characters. To address this problem, we introduce GlyphDraw, a general learning framework aiming to endow image generation models with the capacity to generate images coherently embedded with text for any specific language.We first sophisticatedly design the image-text dataset's construction strategy, then build our model specifically on a diffusion-based image generator and carefully modify the network structure to allow the model to learn drawing language characters with the help of glyph and position information.Furthermore, we maintain the model's open-domain image synthesis capability by preventing catastrophic forgetting by using parameter-efficient fine-tuning techniques.Extensive qualitative and quantitative experiments demonstrate that our method not only produces accurate language characters as in prompts, but also seamlessly blends the generated text into the background.Please refer to our https://1073521013.github.io/glyph-draw.github.io/{project page}. abstract

Generating accurate SQL for user queries (text-to-SQL) is a long-standing problem since the generation of the SQL requires comprehending the query and database and retrieving the accurate data from the database accordingly. Existing models rely on the comprehensive ability of Large Language Models (LLMs) to generate the SQL according to the database schema. However, there is some necessary knowledge that is not explicitly included in the database schema or has been learned by LLMs. Thus, the generated SQL of the knowledge-insufficient queries may be inaccurate, which negatively impacts the robustness of the text-to-SQL models. To deal with this situation, we propose the Knowledge-to-SQL framework, which employs tailored Data Expert LLM (DELLM) to provide helpful knowledge for all types of text-to-SQL models. Specifically, we provide the detailed design of DELLM, in terms of table reading, and the basic fine-tuning process. We further provide a Preference Learning via Database Feedback (PLDBF) training strategy to guide the DELLM to generate more helpful knowledge for LLMs. Extensive experiments verify DELLM can enhance the state-of-the-art LLMs on text-to-SQL tasks. The model structure and the parameter weight of DELLM are released for further research.

With the commercialization of large language models (LLMs), weight-activation quantization has emerged to compress and accelerate LLMs, achieving high throughput while reducing inference costs. However, existing post-training quantization (PTQ) techniques for quantizing weights and activations of LLMs still suffer from non-negligible accuracy drops, especially on massive multitask language understanding. To address this issue, we propose Low-Rank Quantization (LRQ) - a simple yet effective post-training weight quantization method for LLMs that reconstructs the outputs of an intermediate Transformer block by leveraging low-rank weight-scaling matrices, replacing the conventional full weight-scaling matrices that entail as many learnable scales as their associated weights. Thanks to parameter sharing via low-rank structure, LRQ only needs to learn significantly fewer parameters while enabling the individual scaling of weights, thus boosting the generalization capability of quantized LLMs. We show the superiority of LRQ over prior LLM PTQ works under (i) 8-bit weight and per-tensor activation quantization, (ii) 4-bit weight and 8-bit per-token activation quantization, and (iii) low-bit weight-only quantization schemes. Our code is available at https://github.com/onliwad101/FlexRound_LRQ to inspire LLM researchers and engineers.

Fairness, especially group fairness, is an important consideration in the context of machine learning systems. The most commonly adopted group fairness-enhancing techniques are in-processing methods that rely on a mixture of a fairness objective (e.g., demographic parity) and a task-specific objective (e.g., cross-entropy) during the training process. However, when data arrives in an online fashion -- one instance at a time -- optimizing such fairness objectives poses several challenges. In particular, group fairness objectives are defined using expectations of predictions across different demographic groups. In the online setting, where the algorithm has access to a single instance at a time, estimating the group fairness objective requires additional storage and significantly more computation (e.g., forward/backward passes) than the task-specific objective at every time step. In this paper, we propose Aranyani, an ensemble of oblique decision trees, to make fair decisions in online settings. The hierarchical tree structure of Aranyani enables parameter isolation and allows us to efficiently compute the fairness gradients using aggregate statistics of previous decisions, eliminating the need for additional storage and forward/backward passes. We also present an efficient framework to train Aranyani and theoretically analyze several of its properties. We conduct empirical evaluations on 5 publicly available benchmarks (including vision and language datasets) to show that Aranyani achieves a better accuracy-fairness trade-off compared to baseline approaches.

Fine-tuning and inference with large Language Models (LM) are generally known to be expensive. Parameter-efficient fine-tuning over pretrained LMs reduces training memory by updating a small number of LM parameters but does not improve inference efficiency. Structured pruning improves LM inference efficiency by removing consistent parameter blocks, yet often increases training memory and time. To improve both training and inference efficiency, we introduce APT that adaptively prunes and tunes parameters for the LMs. At the early stage of fine-tuning, APT dynamically adds salient tuning parameters for fast and accurate convergence while discarding unimportant parameters for efficiency. Compared to baselines, our experiments show that APT maintains up to 98% task performance when pruning RoBERTa and T5 models with 40% parameters left while keeping 86.4% LLaMA models' performance with 70% parameters remained. Furthermore, APT speeds up LMs fine-tuning by up to 8x and reduces large LMs memory training footprint by up to 70%.

Replicating the remarkable athleticism seen in animals has long been a challenge in robotics control. Although Reinforcement Learning (RL) has demonstrated significant progress in dynamic legged locomotion control, the substantial sim-to-real gap often hinders the real-world demonstration of truly dynamic movements. We propose a new framework to mitigate this gap through frequency-domain analysis-based impedance matching between simulated and real robots. Our framework offers a structured guideline for parameter selection and the range for dynamics randomization in simulation, thus facilitating a safe sim-to-real transfer. The learned policy using our framework enabled jumps across distances of 55 cm and heights of 38 cm. The results are, to the best of our knowledge, one of the highest and longest running jumps demonstrated by an RL-based control policy in a real quadruped robot. Note that the achieved jumping height is approximately 85% of that obtained from a state-of-the-art trajectory optimization method, which can be seen as the physical limit for the given robot hardware. In addition, our control policy accomplished stable walking at speeds up to 2 m/s in the forward and backward directions, and 1 m/s in the sideway direction.

In this work, we aim to estimate the stellar parameters of the primary (Aa) by performing asteroseismic analysis on its period-spacing pattern. We use the C-3PO neural network to perform asteroseismic modelling of the g-mode period-spacing pattern of Aa, discussing the interplay of this information with external constraints from spectroscopy (T_{rm eff} and log(g)) and eclipse modelling (R). To estimate the level of uncertainty due to different frequency extraction and pattern identification processes, we consider four different variations on the period-spacing patterns. To better understand the correlations between and the uncertainty structure of our parameter estimates, we also employed a classical, parameter-based MCMC grid search on four different stellar grids. The best-fitting, externally constrained model to the period-spacing pattern arrives at estimates of the stellar properties for Aa of: M=1.51 pm 0.05 M_odot, X_c =0.43 pm 0.04, R=1.66 pm 0.1 R_odot, f_{rm ov}=0.010, Omega_c=1.58 pm 0.01 d^{-1} with rigid rotation to within the measurement errors, log(T_{rm eff})=3.856 pm 0.008 dex, log(g)=4.18 pm 0.04 dex, and log(L)=0.809 pm 0.005 dex, which agree well with previous measurements from eclipse modelling, spectroscopy, and the Gaia DR3 luminosity. We find that the near-core properties of the best-fitting asteroseismic models are consistent with external constraints from eclipse modelling and spectroscopy. Aa appears to be a typical example of a gamma Dor star, fitting well within existing populations. We find that Aa is quasi-rigidly rotating to within the uncertainties, and note that the asteroseismic age estimate for Aa (1100 pm 100 Myr) is considerably older than the young (35 Myr) age implied by previous isochrone fits to the B binary in the literature. Our MCMC parameter-based grid-search agrees well with our pattern-modelling approach.

Probabilistic circuits (PCs) are a tractable representation of probability distributions allowing for exact and efficient computation of likelihoods and marginals. There has been significant recent progress on improving the scale and expressiveness of PCs. However, PC training performance plateaus as model size increases. We discover that most capacity in existing large PC structures is wasted: fully-connected parameter layers are only sparsely used. We propose two operations: pruning and growing, that exploit the sparsity of PC structures. Specifically, the pruning operation removes unimportant sub-networks of the PC for model compression and comes with theoretical guarantees. The growing operation increases model capacity by increasing the size of the latent space. By alternatingly applying pruning and growing, we increase the capacity that is meaningfully used, allowing us to significantly scale up PC learning. Empirically, our learner achieves state-of-the-art likelihoods on MNIST-family image datasets and on Penn Tree Bank language data compared to other PC learners and less tractable deep generative models such as flow-based models and variational autoencoders (VAEs).

We obtain (small-parameter) well-posedness for the (space-time periodic) Phi^4 equation in the full subcritical regime in the context of regularity structures based on multi-indices. As opposed to Hairer's more extrinsic tree-based setting, due to the intrinsic description encoded by multi-indices, it is not possible to obtain a solution theory via the standard fixed-point argument. Instead, we develop a more intrinsic approach for existence using a variant of the continuity method from classical PDE theory based on a priori estimates for a new `robust' formulation of the equation. This formulation also allows us to obtain uniqueness of solutions and continuity of the solution map in the model norm even at the limit of vanishing regularisation scale. Since our proof relies on the structure of the nonlinearity in only a mild way, we expect the same ideas to be sufficient to treat a more general class of equations.

For long document summarization, discourse structure is important to discern the key content of the text and the differences in importance level between sentences. Unfortunately, the integration of rhetorical structure theory (RST) into parameter-efficient fine-tuning strategies for long document summarization remains unexplored. Therefore, this paper introduces RST-LoRA and proposes four RST-aware variants to explicitly incorporate RST into the LoRA model. Our empirical evaluation demonstrates that incorporating the type and uncertainty of rhetorical relations can complementarily enhance the performance of LoRA in summarization tasks. Furthermore, the best-performing variant we introduced outperforms the vanilla LoRA and full-parameter fine-tuning models, as confirmed by multiple automatic and human evaluations, and even surpasses previous state-of-the-art methods.

Context-aware STR methods typically use internal autoregressive (AR) language models (LM). Inherent limitations of AR models motivated two-stage methods which employ an external LM. The conditional independence of the external LM on the input image may cause it to erroneously rectify correct predictions, leading to significant inefficiencies. Our method, PARSeq, learns an ensemble of internal AR LMs with shared weights using Permutation Language Modeling. It unifies context-free non-AR and context-aware AR inference, and iterative refinement using bidirectional context. Using synthetic training data, PARSeq achieves state-of-the-art (SOTA) results in STR benchmarks (91.9% accuracy) and more challenging datasets. It establishes new SOTA results (96.0% accuracy) when trained on real data. PARSeq is optimal on accuracy vs parameter count, FLOPS, and latency because of its simple, unified structure and parallel token processing. Due to its extensive use of attention, it is robust on arbitrarily-oriented text which is common in real-world images. Code, pretrained weights, and data are available at: https://github.com/baudm/parseq.

Conversational AI tools that can generate and discuss clinically correct radiology reports for a given medical image have the potential to transform radiology. Such a human-in-the-loop radiology assistant could facilitate a collaborative diagnostic process, thus saving time and improving the quality of reports. Towards this goal, we introduce RaDialog, the first thoroughly evaluated and publicly available large vision-language model for radiology report generation and interactive dialog. RaDialog effectively integrates visual image features and structured pathology findings with a large language model (LLM) while simultaneously adapting it to a specialized domain using parameter-efficient fine-tuning. To keep the conversational abilities of the underlying LLM, we propose a comprehensive, semi-automatically labeled, image-grounded instruct dataset for chest X-ray radiology tasks. By training with this dataset, our method achieves state-of-the-art clinical correctness in report generation and shows impressive abilities in interactive tasks such as correcting reports and answering questions, serving as a foundational step toward clinical dialog systems. Our code is available on github: https://github.com/ChantalMP/RaDialog.

The rapid growth in the parameters of large language models (LLMs) has made inference latency a fundamental bottleneck, limiting broader application of LLMs. Speculative decoding represents a lossless approach to accelerate inference through a guess-and-verify paradigm, leveraging the parallel capabilities of modern hardware. Some speculative decoding methods rely on additional structures to guess draft tokens, such as small models or parameter-efficient architectures, which need extra training before use. Alternatively, retrieval-based train-free techniques build libraries from pre-existing corpora or by n-gram generation. However, they face challenges like large storage requirements, time-consuming retrieval, and limited adaptability. Observing that candidate tokens generated during the decoding process are likely to reoccur in future sequences, we propose Token Recycling. This approach stores candidate tokens in an adjacency matrix and employs a breadth-first search (BFS)-like algorithm on the matrix to construct a draft tree. The tree is then validated through tree attention. New candidate tokens from the decoding process are then used to update the matrix. Token Recycling requires \textless2MB of additional storage and achieves approximately 2x speedup across all sizes of LLMs. It significantly outperforms existing train-free methods by 30\% and even a training method by 25\%. It can be directly applied to any existing LLMs and tasks without the need for adaptation.

Evaluating the performance of a well-trained GNN model on real-world graphs is a pivotal step for reliable GNN online deployment and serving. Due to a lack of test node labels and unknown potential training-test graph data distribution shifts, conventional model evaluation encounters limitations in calculating performance metrics (e.g., test error) and measuring graph data-level discrepancies, particularly when the training graph used for developing GNNs remains unobserved during test time. In this paper, we study a new research problem, online GNN evaluation, which aims to provide valuable insights into the well-trained GNNs's ability to effectively generalize to real-world unlabeled graphs under the test-time graph distribution shifts. Concretely, we develop an effective learning behavior discrepancy score, dubbed LeBeD, to estimate the test-time generalization errors of well-trained GNN models. Through a novel GNN re-training strategy with a parameter-free optimality criterion, the proposed LeBeD comprehensively integrates learning behavior discrepancies from both node prediction and structure reconstruction perspectives. This enables the effective evaluation of the well-trained GNNs' ability to capture test node semantics and structural representations, making it an expressive metric for estimating the generalization error in online GNN evaluation. Extensive experiments on real-world test graphs under diverse graph distribution shifts could verify the effectiveness of the proposed method, revealing its strong correlation with ground-truth test errors on various well-trained GNN models.

Large Language Models (LLMs) have significantly advanced natural language processing with exceptional task generalization capabilities. Low-Rank Adaption (LoRA) offers a cost-effective fine-tuning solution, freezing the original model parameters and training only lightweight, low-rank adapter matrices. However, the memory footprint of LoRA is largely dominated by the original model parameters. To mitigate this, we propose LoRAM, a memory-efficient LoRA training scheme founded on the intuition that many neurons in over-parameterized LLMs have low training utility but are essential for inference. LoRAM presents a unique twist: it trains on a pruned (small) model to obtain pruned low-rank matrices, which are then recovered and utilized with the original (large) model for inference. Additionally, minimal-cost continual pre-training, performed by the model publishers in advance, aligns the knowledge discrepancy between pruned and original models. Our extensive experiments demonstrate the efficacy of LoRAM across various pruning strategies and downstream tasks. For a model with 70 billion parameters, LoRAM enables training on a GPU with only 20G HBM, replacing an A100-80G GPU for LoRA training and 15 GPUs for full fine-tuning. Specifically, QLoRAM implemented by structured pruning combined with 4-bit quantization, for LLaMA-3.1-70B (LLaMA-2-70B), reduces the parameter storage cost that dominates the memory usage in low-rank matrix training by 15.81times (16.95times), while achieving dominant performance gains over both the original LLaMA-3.1-70B (LLaMA-2-70B) and LoRA-trained LLaMA-3.1-8B (LLaMA-2-13B).

Memory complexity and data scarcity have so far prohibited learning solution operators of partial differential equations (PDEs) at high resolutions. We address these limitations by introducing a new data efficient and highly parallelizable operator learning approach with reduced memory requirement and better generalization, called multi-grid tensorized neural operator (MG-TFNO). MG-TFNO scales to large resolutions by leveraging local and global structures of full-scale, real-world phenomena, through a decomposition of both the input domain and the operator's parameter space. Our contributions are threefold: i) we enable parallelization over input samples with a novel multi-grid-based domain decomposition, ii) we represent the parameters of the model in a high-order latent subspace of the Fourier domain, through a global tensor factorization, resulting in an extreme reduction in the number of parameters and improved generalization, and iii) we propose architectural improvements to the backbone FNO. Our approach can be used in any operator learning setting. We demonstrate superior performance on the turbulent Navier-Stokes equations where we achieve less than half the error with over 150x compression. The tensorization combined with the domain decomposition, yields over 150x reduction in the number of parameters and 7x reduction in the domain size without losses in accuracy, while slightly enabling parallelism.

Shampoo is an online and stochastic optimization algorithm belonging to the AdaGrad family of methods for training neural networks. It constructs a block-diagonal preconditioner where each block consists of a coarse Kronecker product approximation to full-matrix AdaGrad for each parameter of the neural network. In this work, we provide a complete description of the algorithm as well as the performance optimizations that our implementation leverages to train deep networks at-scale in PyTorch. Our implementation enables fast multi-GPU distributed data-parallel training by distributing the memory and computation associated with blocks of each parameter via PyTorch's DTensor data structure and performing an AllGather primitive on the computed search directions at each iteration. This major performance enhancement enables us to achieve at most a 10% performance reduction in per-step wall-clock time compared against standard diagonal-scaling-based adaptive gradient methods. We validate our implementation by performing an ablation study on training ImageNet ResNet50, demonstrating Shampoo's superiority over standard training recipes with minimal hyperparameter tuning.

We introduce a convolutional recurrent neural network (CRNN) for music tagging. CRNNs take advantage of convolutional neural networks (CNNs) for local feature extraction and recurrent neural networks for temporal summarisation of the extracted features. We compare CRNN with three CNN structures that have been used for music tagging while controlling the number of parameters with respect to their performance and training time per sample. Overall, we found that CRNNs show a strong performance with respect to the number of parameter and training time, indicating the effectiveness of its hybrid structure in music feature extraction and feature summarisation.

In this paper, we address the challenge of enforcing strict schema adherence in large language model (LLM) generation by leveraging LLM reasoning capabilities. Building on the DeepSeek R1 reinforcement learning framework, our approach trains structured reasoning skills of a 1.5B parameter model through a novel pipeline that combines synthetic reasoning dataset construction with custom reward functions under Group Relative Policy Optimization (GRPO). Specifically, we first perform R1 reinforcement learning on a 20K sample unstructured-to-structured dataset, mirroring the original DeepSeek R1 methods, to establish core reasoning abilities. Subsequently, we performed supervised fine-tuning on a separate 10K reasoning sample dataset, focusing on refining schema adherence for downstream tasks. Despite the relatively modest training scope, requiring approximately 20 hours on an 8xH100 GPU cluster for GRPO training and 3 hours on 1xA100 for SFT, our model demonstrates robust performance in enforcing schema consistency. We compare our ThinkJSON approach against the original DeepSeek R1 (671B), distilled versions of DeepSeek R1 (Qwen-1.5B and Qwen-7B), and Gemini 2.0 Flash (70B), showcasing its effectiveness in real-world applications. Our results underscore the practical utility of a resource-efficient framework for schema-constrained text generation.

In this work, we propose a method that combines two popular research areas by injecting linguistic structures into pre-trained language models in the parameter-efficient fine-tuning (PEFT) setting. In our approach, parallel adapter modules encoding different linguistic structures are combined using a novel Mixture-of-Linguistic-Experts architecture, where Gumbel-Softmax gates are used to determine the importance of these modules at each layer of the model. To reduce the number of parameters, we first train the model for a fixed small number of steps before pruning the experts based on their importance scores. Our experiment results with three different pre-trained models show that our approach can outperform state-of-the-art PEFT methods with a comparable number of parameters. In addition, we provide additional analysis to examine the experts selected by each model at each layer to provide insights for future studies.

Prompt tuning learns soft prompts to condition frozen Pre-trained Language Models (PLMs) for performing downstream tasks in a parameter-efficient manner. While prompt tuning has gradually reached the performance level of fine-tuning as the model scale increases, there is still a large performance gap between prompt tuning and fine-tuning for models of moderate and small scales (typically less than 11B parameters). In this paper, we empirically show that the trained prompt tokens can have a negative impact on a downstream task and thus degrade its performance. To bridge the gap, we propose a novel Prompt tuning model with an eXtremely small scale (XPrompt) under the regime of lottery tickets hypothesis. Specifically, XPrompt eliminates the negative prompt tokens at different granularity levels through a hierarchical structured pruning, yielding a more parameter-efficient prompt yet with a competitive performance. Comprehensive experiments are carried out on SuperGLUE tasks, and the extensive results indicate that XPrompt is able to close the performance gap at smaller model scales.

Incremental Task learning (ITL) is a category of continual learning that seeks to train a single network for multiple tasks (one after another), where training data for each task is only available during the training of that task. Neural networks tend to forget older tasks when they are trained for the newer tasks; this property is often known as catastrophic forgetting. To address this issue, ITL methods use episodic memory, parameter regularization, masking and pruning, or extensible network structures. In this paper, we propose a new incremental task learning framework based on low-rank factorization. In particular, we represent the network weights for each layer as a linear combination of several rank-1 matrices. To update the network for a new task, we learn a rank-1 (or low-rank) matrix and add that to the weights of every layer. We also introduce an additional selector vector that assigns different weights to the low-rank matrices learned for the previous tasks. We show that our approach performs better than the current state-of-the-art methods in terms of accuracy and forgetting. Our method also offers better memory efficiency compared to episodic memory- and mask-based approaches. Our code will be available at https://github.com/CSIPlab/task-increment-rank-update.git

Deploying Large Language Models (LLMs) on resource-constrained (or weak) devices presents significant challenges due to limited resources and heterogeneous data distribution. To address the data concern, it is necessary to fine-tune LLMs using on-device private data for various downstream tasks. While Federated Learning (FL) offers a promising privacy-preserving solution, existing fine-tuning methods retain the original LLM size, leaving issues of high inference latency and excessive memory demands unresolved. Hence, we design FedSpine, an FL framework that combines Parameter- Efficient Fine-Tuning (PEFT) with structured pruning for efficient deployment of LLMs on resource-constrained devices. Specifically, FedSpine introduces an iterative process to prune and tune the parameters of LLMs. To mitigate the impact of device heterogeneity, an online Multi-Armed Bandit (MAB) algorithm is employed to adaptively determine different pruning ratios and LoRA ranks for heterogeneous devices without any prior knowledge of their computing and communication capabilities. As a result, FedSpine maintains higher inference accuracy while improving fine-tuning efficiency. Experimental results conducted on a physical platform with 80 devices demonstrate that FedSpine can speed up fine-tuning by 1.4times-6.9times and improve final accuracy by 0.4%-4.5% under the same sparsity level compared to other baselines.

Sharpness-aware minimization (SAM) reports improving domain generalization by reducing the loss surface curvature in the parameter space. However, generalization during fine-tuning is often more dependent on the transferability of representations in the function space. Trust-region methods (TR) target this goal by regularizing representation curvature to reduce catastrophic forgetting of pre-trained task-agnostic information while adopting task-specific skills. We consider unifying these strategies for low curvature in both parameter space and function space to improve out-of-domain (OOD) generalization. We propose Trust Region Aware Minimization (TRAM), a SAM algorithm fine-tuning for low parameter sharpness and smooth, informative representations preserving pre-trained structure. TRAM uses a trust region bound to inform the SAM adversarial neighborhood, introducing an awareness of function curvature within optimization for flatter minima. We empirically validate TRAM in vision (cross-dataset adaptation) and text (OOD language modeling, zero-shot cross-lingual transfer) tasks where robust domain transfer and representation generality are critical. TRAM outperforms SAM- and TR-based optimization across all tasks, notably surpassing competing methods for hard transfer between anticorrelated domains. TRAM establishes a novel standard in fine-tuning for domain-generalizable models with minimal additional computation over previous sharpness-aware methods.

We propose Adam-mini, an optimizer that achieves on-par or better performance than AdamW with 45% to 50% less memory footprint. Adam-mini reduces memory by cutting down the learning rate resources in Adam (i.e., 1/v). We find that geq 90% of these learning rates in v could be harmlessly removed if we (1) carefully partition the parameters into blocks following our proposed principle on Hessian structure; (2) assign a single but good learning rate to each parameter block. We further find that, for each of these parameter blocks, there exists a single high-quality learning rate that can outperform Adam, provided that sufficient resources are available to search it out. We then provide one cost-effective way to find good learning rates and propose Adam-mini. Empirically, we verify that Adam-mini performs on par or better than AdamW on various language models sized from 125M to 7B for pre-training, supervised fine-tuning, and RLHF. The reduced memory footprint of Adam-mini also alleviates communication overheads among GPUs and CPUs, thereby increasing throughput. For instance, Adam-mini achieves 49.6% higher throughput than AdamW when pre-training Llama2-7B on 2times A800-80GB GPUs, which saves 33% wall-clock time for pre-training.

Parameter-efficient tuning (PET) methods can effectively drive extremely large pre-trained language models (PLMs) by only training minimal parameters. Different PET methods utilize different manually designed modules. In a small PLM, there are usually noticeable performance differences among PET methods. Nevertheless, when a PLM's scale grows up to tens of billions of parameters, all PET methods achieve almost the same performance and even perform on par with the full-parameter fine-tuning method. Hence, we hypothesize that model scaling can mitigate the design differences (the module structures and the number of trainable parameters) among PET methods. To study this hypothesis, we introduce a more flexible PET method - arbitrary PET (APET) method - to be compatible with arbitrary module structures and any number of trainable parameters. Then, we experiment on 11 NLP tasks of 5 types and 2 representative PLMs. From our investigations, we find that the model scaling (1) mitigates the effects of the arbitrary module structure on the performance of tuning methods, and (2) enables the tuning methods to optimize fewer parameters to achieve the full-parameter fine-tuning performance. Intriguingly, we also observe that all tuning methods require almost the same number of trainable parameters to drive PLMs. We discuss this phenomenon and the above two findings collectively from optimization perspectives to fathom the mechanisms behind them. These conclusions not only demonstrate the positive impact of model scaling on tuning methods but disclose its mechanisms, which help us design more effective and efficient tuning methods on larger-scale PLMs.

Gigantic pre-trained models have become central to natural language processing (NLP), serving as the starting point for fine-tuning towards a range of downstream tasks. However, two pain points persist for this paradigm: (a) as the pre-trained models grow bigger (e.g., 175B parameters for GPT-3), even the fine-tuning process can be time-consuming and computationally expensive; (b) the fine-tuned model has the same size as its starting point by default, which is neither sensible due to its more specialized functionality, nor practical since many fine-tuned models will be deployed in resource-constrained environments. To address these pain points, we propose a framework for resource- and parameter-efficient fine-tuning by leveraging the sparsity prior in both weight updates and the final model weights. Our proposed framework, dubbed Dually Sparsity-Embedded Efficient Tuning (DSEE), aims to achieve two key objectives: (i) parameter efficient fine-tuning - by enforcing sparsity-aware low-rank updates on top of the pre-trained weights; and (ii) resource-efficient inference - by encouraging a sparse weight structure towards the final fine-tuned model. We leverage sparsity in these two directions by exploiting both unstructured and structured sparse patterns in pre-trained language models via a unified approach. Extensive experiments and in-depth investigations, with diverse network backbones (i.e., BERT, RoBERTa, and GPT-2) on dozens of datasets, consistently demonstrate impressive parameter-/inference-efficiency, while maintaining competitive downstream performance. For instance, DSEE saves about 25% inference FLOPs while achieving comparable performance, with 0.5% trainable parameters on BERT. Codes are available in https://github.com/VITA-Group/DSEE.

Adapting pre-trained foundation models for various downstream tasks has been prevalent in artificial intelligence. Due to the vast number of tasks and high costs, adjusting all parameters becomes unfeasible. To mitigate this, several fine-tuning techniques have been developed to update the pre-trained model weights in a more resource-efficient manner, such as through low-rank adjustments. Yet, almost all of these methods focus on linear weights, neglecting the intricacies of parameter spaces in higher dimensions like 4D. Alternatively, some methods can be adapted for high-dimensional parameter space by compressing changes in the original space into two dimensions and then employing low-rank matrix decomposition. However, these approaches destructs the structural integrity of the involved high-dimensional spaces. To tackle the diversity of dimensional spaces across different foundation models and provide a more precise representation of the changes within these spaces, this paper introduces a generalized parameter-efficient fine-tuning framework, FLoRA, designed for various dimensional parameter space. Specifically, utilizing Tucker decomposition, FLoRA asserts that changes in each dimensional parameter space are based on a low-rank core space which maintains the consistent topological structure with the original space. It then models the changes through this core space alongside corresponding weights to reconstruct alterations in the original space. FLoRA effectively preserves the structural integrity of the change of original N-dimensional parameter space, meanwhile decomposes it via low-rank tensor decomposition. Extensive experiments on computer vision, natural language processing and multi-modal tasks validate FLoRA's effectiveness. Codes are available at https://github.com/SJTU-DeepVisionLab/FLoRA.

Recently, the emergence of the large-scale vision-language model (VLM), such as CLIP, has opened the way towards open-world object perception. Many works have explored the utilization of pre-trained VLM for the challenging open-vocabulary dense prediction task that requires perceiving diverse objects with novel classes at inference time. Existing methods construct experiments based on the public datasets of related tasks, which are not tailored for open vocabulary and rarely involve imperceptible objects camouflaged in complex scenes due to data collection bias and annotation costs. To fill in the gaps, we introduce a new task, open-vocabulary camouflaged object segmentation (OVCOS), and construct a large-scale complex scene dataset (OVCamo) containing 11,483 hand-selected images with fine annotations and corresponding object classes. Further, we build a strong single-stage open-vocabulary camouflaged object segmentation transformer baseline OVCoser attached to the parameter-fixed CLIP with iterative semantic guidance and structure enhancement. By integrating the guidance of class semantic knowledge and the supplement of visual structure cues from the edge and depth information, the proposed method can efficiently capture camouflaged objects. Moreover, this effective framework also surpasses previous state-of-the-arts of open-vocabulary semantic image segmentation by a large margin on our OVCamo dataset. With the proposed dataset and baseline, we hope that this new task with more practical value can further expand the research on open-vocabulary dense prediction tasks. Our code and data can be found in the https://github.com/lartpang/OVCamo{link}.

While the general machine learning (ML) community has benefited from public datasets, tasks, and models, the progress of ML in healthcare has been hampered by a lack of such shared assets. The success of foundation models creates new challenges for healthcare ML by requiring access to shared pretrained models to validate performance benefits. We help address these challenges through three contributions. First, we publish a new dataset, EHRSHOT, which contains deidentified structured data from the electronic health records (EHRs) of 6,739 patients from Stanford Medicine. Unlike MIMIC-III/IV and other popular EHR datasets, EHRSHOT is longitudinal and not restricted to ICU/ED patients. Second, we publish the weights of CLMBR-T-base, a 141M parameter clinical foundation model pretrained on the structured EHR data of 2.57M patients. We are one of the first to fully release such a model for coded EHR data; in contrast, most prior models released for clinical data (e.g. GatorTron, ClinicalBERT) only work with unstructured text and cannot process the rich, structured data within an EHR. We provide an end-to-end pipeline for the community to validate and build upon its performance. Third, we define 15 few-shot clinical prediction tasks, enabling evaluation of foundation models on benefits such as sample efficiency and task adaptation. Our model and dataset are available via a research data use agreement from the Stanford AIMI Center. Code to reproduce our results are available at our Github repo: https://github.com/som-shahlab/ehrshot-benchmark

Previous works on Treatment Effect Estimation (TEE) are not in widespread use because they are predominantly theoretical, where strong parametric assumptions are made but untractable for practical application. Recent work uses multilayer perceptron (MLP) for modeling casual relationships, however, MLPs lag far behind recent advances in ML methodology, which limits their applicability and generalizability. To extend beyond the single domain formulation and towards more realistic learning scenarios, we explore model design spaces beyond MLPs, i.e., transformer backbones, which provide flexibility where attention layers govern interactions among treatments and covariates to exploit structural similarities of potential outcomes for confounding control. Through careful model design, Transformers as Treatment Effect Estimators (TransTEE) is proposed. We show empirically that TransTEE can: (1) serve as a general purpose treatment effect estimator that significantly outperforms competitive baselines in a variety of challenging TEE problems (e.g., discrete, continuous, structured, or dosage-associated treatments) and is applicable to both when covariates are tabular and when they consist of structural data (e.g., texts, graphs); (2) yield multiple advantages: compatibility with propensity score modeling, parameter efficiency, robustness to continuous treatment value distribution shifts, explainable in covariate adjustment, and real-world utility in auditing pre-trained language models

Instrumental variable methods have been widely used to identify causal effects in the presence of unmeasured confounding. A key identification condition known as the exclusion restriction states that the instrument cannot have a direct effect on the outcome which is not mediated by the exposure in view. In the health and social sciences, such an assumption is often not credible. To address this concern, we consider identification conditions of the population average treatment effect with an invalid instrumental variable which does not satisfy the exclusion restriction, and derive the efficient influence function targeting the identifying functional under a nonparametric observed data model. We propose a novel multiply robust locally efficient estimator of the average treatment effect that is consistent in the union of multiple parametric nuisance models, as well as a multiply debiased machine learning estimator for which the nuisance parameters are estimated using generic machine learning methods, that effectively exploit various forms of linear or nonlinear structured sparsity in the nuisance parameter space. When one cannot be confident that any of these machine learners is consistent at sufficiently fast rates to ensure n-consistency for the average treatment effect, we introduce a new criteria for selective machine learning which leverages the multiple robustness property in order to ensure small bias. The proposed methods are illustrated through extensive simulations and a data analysis evaluating the causal effect of 401(k) participation on savings.

The emergence of quantum reinforcement learning (QRL) is propelled by advancements in quantum computing (QC) and machine learning (ML), particularly through quantum neural networks (QNN) built on variational quantum circuits (VQC). These advancements have proven successful in addressing sequential decision-making tasks. However, constructing effective QRL models demands significant expertise due to challenges in designing quantum circuit architectures, including data encoding and parameterized circuits, which profoundly influence model performance. In this paper, we propose addressing this challenge with differentiable quantum architecture search (DiffQAS), enabling trainable circuit parameters and structure weights using gradient-based optimization. Furthermore, we enhance training efficiency through asynchronous reinforcement learning (RL) methods facilitating parallel training. Through numerical simulations, we demonstrate that our proposed DiffQAS-QRL approach achieves performance comparable to manually-crafted circuit architectures across considered environments, showcasing stability across diverse scenarios. This methodology offers a pathway for designing QRL models without extensive quantum knowledge, ensuring robust performance and fostering broader application of QRL.

Recent advancements in federated learning (FL) seek to increase client-level performance by fine-tuning client parameters on local data or personalizing architectures for the local task. Existing methods for such personalization either prune a global model or fine-tune a global model on a local client distribution. However, these existing methods either personalize at the expense of retaining important global knowledge, or predetermine network layers for fine-tuning, resulting in suboptimal storage of global knowledge within client models. Enlightened by the lottery ticket hypothesis, we first introduce a hypothesis for finding optimal client subnetworks to locally fine-tune while leaving the rest of the parameters frozen. We then propose a novel FL framework, FedSelect, using this procedure that directly personalizes both client subnetwork structure and parameters, via the simultaneous discovery of optimal parameters for personalization and the rest of parameters for global aggregation during training. We show that this method achieves promising results on CIFAR-10.

Recent researches have proven that pre-training on large-scale person images extracted from internet videos is an effective way in learning better representations for person re-identification. However, these researches are mostly confined to pre-training at the instance-level or single-video tracklet-level. They ignore the identity-invariance in images of the same person across different videos, which is a key focus in person re-identification. To address this issue, we propose a Cross-video Identity-cOrrelating pre-traiNing (CION) framework. Defining a noise concept that comprehensively considers both intra-identity consistency and inter-identity discrimination, CION seeks the identity correlation from cross-video images by modeling it as a progressive multi-level denoising problem. Furthermore, an identity-guided self-distillation loss is proposed to implement better large-scale pre-training by mining the identity-invariance within person images. We conduct extensive experiments to verify the superiority of our CION in terms of efficiency and performance. CION achieves significantly leading performance with even fewer training samples. For example, compared with the previous state-of-the-art~ISR, CION with the same ResNet50-IBN achieves higher mAP of 93.3\% and 74.3\% on Market1501 and MSMT17, while only utilizing 8\% training samples. Finally, with CION demonstrating superior model-agnostic ability, we contribute a model zoo named ReIDZoo to meet diverse research and application needs in this field. It contains a series of CION pre-trained models with spanning structures and parameters, totaling 32 models with 10 different structures, including GhostNet, ConvNext, RepViT, FastViT and so on. The code and models will be made publicly available at https://github.com/Zplusdragon/CION_ReIDZoo.

Transformer-based models achieve favorable performance in artistic style transfer recently thanks to its global receptive field and powerful multi-head/layer attention operations. Nevertheless, the over-paramerized multi-layer structure increases parameters significantly and thus presents a heavy burden for training. Moreover, for the task of style transfer, vanilla Transformer that fuses content and style features by residual connections is prone to content-wise distortion. In this paper, we devise a novel Transformer model termed as Master specifically for style transfer. On the one hand, in the proposed model, different Transformer layers share a common group of parameters, which (1) reduces the total number of parameters, (2) leads to more robust training convergence, and (3) is readily to control the degree of stylization via tuning the number of stacked layers freely during inference. On the other hand, different from the vanilla version, we adopt a learnable scaling operation on content features before content-style feature interaction, which better preserves the original similarity between a pair of content features while ensuring the stylization quality. We also propose a novel meta learning scheme for the proposed model so that it can not only work in the typical setting of arbitrary style transfer, but also adaptable to the few-shot setting, by only fine-tuning the Transformer encoder layer in the few-shot stage for one specific style. Text-guided few-shot style transfer is firstly achieved with the proposed framework. Extensive experiments demonstrate the superiority of Master under both zero-shot and few-shot style transfer settings.

The MNIST dataset has become a standard benchmark for learning, classification and computer vision systems. Contributing to its widespread adoption are the understandable and intuitive nature of the task, its relatively small size and storage requirements and the accessibility and ease-of-use of the database itself. The MNIST database was derived from a larger dataset known as the NIST Special Database 19 which contains digits, uppercase and lowercase handwritten letters. This paper introduces a variant of the full NIST dataset, which we have called Extended MNIST (EMNIST), which follows the same conversion paradigm used to create the MNIST dataset. The result is a set of datasets that constitute a more challenging classification tasks involving letters and digits, and that shares the same image structure and parameters as the original MNIST task, allowing for direct compatibility with all existing classifiers and systems. Benchmark results are presented along with a validation of the conversion process through the comparison of the classification results on converted NIST digits and the MNIST digits.

Transformers and large language models~(LLMs) have seen rapid adoption in all domains. Their sizes have exploded to hundreds of billions of parameters and keep increasing. Under these circumstances, the training of transformers is very expensive and often hits a ``memory wall'', i.e., even when using 3D parallelism (pipeline, tensor, data) and aggregating the memory of many GPUs, it is still not enough to hold the necessary data structures (model parameters, optimizer state, gradients, activations) in GPU memory. To compensate, state-of-the-art approaches offload the optimizer state, at least partially, to the host memory and perform hybrid CPU-GPU computations. However, the management of the combined host-GPU memory is often suboptimal and results in poor overlapping between data movements and computations. This leads to missed opportunities to simultaneously leverage the interconnect bandwidth and computational capabilities of CPUs and GPUs. In this paper, we leverage a key observation that the interleaving of the forward, backward and update phases generate fluctuations in the GPU memory utilization, which can be exploited to dynamically move a part of the optimizer state between the host and the GPU memory at each iteration. To this end, we design and implement \proj, a novel technique to split the LLM into subgroups, whose update phase is scheduled on either the CPU or the GPU based on our proposed performance model that addresses the trade-off between data movement cost, acceleration on the GPUs vs the CPUs, and competition for shared resources. We integrate our approach with DeepSpeed and demonstrate 2.5times faster iterations over state-of-the-art approaches using extensive experiments.

The cost of hyperparameter tuning in deep learning has been rising with model sizes, prompting practitioners to find new tuning methods using a proxy of smaller networks. One such proposal uses muP parameterized networks, where the optimal hyperparameters for small width networks transfer to networks with arbitrarily large width. However, in this scheme, hyperparameters do not transfer across depths. As a remedy, we study residual networks with a residual branch scale of 1/text{depth} in combination with the muP parameterization. We provide experiments demonstrating that residual architectures including convolutional ResNets and Vision Transformers trained with this parameterization exhibit transfer of optimal hyperparameters across width and depth on CIFAR-10 and ImageNet. Furthermore, our empirical findings are supported and motivated by theory. Using recent developments in the dynamical mean field theory (DMFT) description of neural network learning dynamics, we show that this parameterization of ResNets admits a well-defined feature learning joint infinite-width and infinite-depth limit and show convergence of finite-size network dynamics towards this limit.

In this work we take a Category Theoretic perspective on the relationship between probabilistic modeling and function approximation. We begin by defining two extensions of function composition to stochastic process subordination: one based on the co-Kleisli category under the comonad (Omega x -) and one based on the parameterization of a category with a Lawvere theory. We show how these extensions relate to the category Stoch and other Markov Categories. Next, we apply the Para construction to extend stochastic processes to parameterized statistical models and we define a way to compose the likelihood functions of these models. We conclude with a demonstration of how the Maximum Likelihood Estimation procedure defines an identity-on-objects functor from the category of statistical models to the category of Learners. Code to accompany this paper can be found at https://github.com/dshieble/Categorical_Stochastic_Processes_and_Likelihood

Linear structural equation models are multivariate statistical models encoded by mixed graphs. In particular, the set of covariance matrices for distributions belonging to a linear structural equation model for a fixed mixed graph G=(V, D,B) is parameterized by a rational function with parameters for each vertex and edge in G. This rational parametrization naturally allows for the study of these models from an algebraic and combinatorial point of view. Indeed, this point of view has led to a collection of results in the literature, mainly focusing on questions related to identifiability and determining relationships between covariances (i.e., finding polynomials in the Gaussian vanishing ideal). So far, a large proportion of these results has focused on the case when D, the directed part of the mixed graph G, is acyclic. This is due to the fact that in the acyclic case, the parametrization becomes polynomial and there is a description of the entries of the covariance matrices in terms of a finite sum. We move beyond the acyclic case and give a closed form expression for the entries of the covariance matrices in terms of the one-connections in a graph obtained from D through some small operations. This closed form expression then allows us to show that if G is simple, then the parametrization map is generically finite-to-one. Finally, having a closed form expression for the covariance matrices allows for the development of an algorithm for systematically exploring possible polynomials in the Gaussian vanishing ideal.

Many recently trained neural networks employ large numbers of parameters to achieve good performance. One may intuitively use the number of parameters required as a rough gauge of the difficulty of a problem. But how accurate are such notions? How many parameters are really needed? In this paper we attempt to answer this question by training networks not in their native parameter space, but instead in a smaller, randomly oriented subspace. We slowly increase the dimension of this subspace, note at which dimension solutions first appear, and define this to be the intrinsic dimension of the objective landscape. The approach is simple to implement, computationally tractable, and produces several suggestive conclusions. Many problems have smaller intrinsic dimensions than one might suspect, and the intrinsic dimension for a given dataset varies little across a family of models with vastly different sizes. This latter result has the profound implication that once a parameter space is large enough to solve a problem, extra parameters serve directly to increase the dimensionality of the solution manifold. Intrinsic dimension allows some quantitative comparison of problem difficulty across supervised, reinforcement, and other types of learning where we conclude, for example, that solving the inverted pendulum problem is 100 times easier than classifying digits from MNIST, and playing Atari Pong from pixels is about as hard as classifying CIFAR-10. In addition to providing new cartography of the objective landscapes wandered by parameterized models, the method is a simple technique for constructively obtaining an upper bound on the minimum description length of a solution. A byproduct of this construction is a simple approach for compressing networks, in some cases by more than 100 times.

The performance of a language model has been shown to be effectively modeled as a power-law in its parameter count. Here we study the scaling behaviors of Routing Networks: architectures that conditionally use only a subset of their parameters while processing an input. For these models, parameter count and computational requirement form two independent axes along which an increase leads to better performance. In this work we derive and justify scaling laws defined on these two variables which generalize those known for standard language models and describe the performance of a wide range of routing architectures trained via three different techniques. Afterwards we provide two applications of these laws: first deriving an Effective Parameter Count along which all models scale at the same rate, and then using the scaling coefficients to give a quantitative comparison of the three routing techniques considered. Our analysis derives from an extensive evaluation of Routing Networks across five orders of magnitude of size, including models with hundreds of experts and hundreds of billions of parameters.

The parameter space for any fixed architecture of feedforward ReLU neural networks serves as a proxy during training for the associated class of functions - but how faithful is this representation? It is known that many different parameter settings can determine the same function. Moreover, the degree of this redundancy is inhomogeneous: for some networks, the only symmetries are permutation of neurons in a layer and positive scaling of parameters at a neuron, while other networks admit additional hidden symmetries. In this work, we prove that, for any network architecture where no layer is narrower than the input, there exist parameter settings with no hidden symmetries. We also describe a number of mechanisms through which hidden symmetries can arise, and empirically approximate the functional dimension of different network architectures at initialization. These experiments indicate that the probability that a network has no hidden symmetries decreases towards 0 as depth increases, while increasing towards 1 as width and input dimension increase.

We introduce a general, flexible, parametric survival modelling framework which encompasses key shapes of hazard function (constant, increasing, decreasing, up-then-down, down-then-up), various common survival distributions (log-logistic, Burr type XII, Weibull, Gompertz), and includes defective distributions (i.e., cure models). This generality is achieved using four basic distributional parameters: two scale-type parameters and two shape parameters. Generalising to covariate dependence, the scale-type regression components correspond to accelerated failure time (AFT) and proportional hazards (PH) models. Therefore, this general formulation unifies the most popular survival models which allows us to consider the practical value of possible modelling choices for survival data. Furthermore, in line with our proposed flexible baseline distribution, we advocate the use of multi-parameter regression in which more than one distributional parameter depends on covariates - rather than the usual convention of having a single covariate-dependent (scale) parameter. While many choices are available, we suggest introducing covariates through just one or other of the two scale parameters, which covers AFT and PH models, in combination with a `power' shape parameter, which allows for more complex non-AFT/non-PH effects, while the other shape parameter remains covariate-independent, and handles automatic selection of the baseline distribution. We explore inferential issues in simulations, both with and without a covariate, with particular focus on evidence concerning the need, or otherwise, to include both AFT and PH parameters. We illustrate the efficacy of our modelling framework by investigating differences between treatment groups using data from a lung cancer study and a melanoma study. Censoring is accommodated throughout.

Structural optimization is a popular method for designing objects such as bridge trusses, airplane wings, and optical devices. Unfortunately, the quality of solutions depends heavily on how the problem is parameterized. In this paper, we propose using the implicit bias over functions induced by neural networks to improve the parameterization of structural optimization. Rather than directly optimizing densities on a grid, we instead optimize the parameters of a neural network which outputs those densities. This reparameterization leads to different and often better solutions. On a selection of 116 structural optimization tasks, our approach produces the best design 50% more often than the best baseline method.

Modern foundation models rely heavily on using scaling laws to guide crucial training decisions. Researchers often extrapolate the optimal architecture and hyper parameters settings from smaller training runs by describing the relationship between, loss, or task performance, and scale. All components of this process vary, from the specific equation being fit, to the training setup, to the optimization method. Each of these factors may affect the fitted law, and therefore, the conclusions of a given study. We discuss discrepancies in the conclusions that several prior works reach, on questions such as the optimal token to parameter ratio. We augment this discussion with our own analysis of the critical impact that changes in specific details may effect in a scaling study, and the resulting altered conclusions. Additionally, we survey over 50 papers that study scaling trends: while 45 of these papers quantify these trends using a power law, most under-report crucial details needed to reproduce their findings. To mitigate this, we we propose a checklist for authors to consider while contributing to scaling law research.

What makes a good Large Language Model (LLM)? That it performs well on the relevant benchmarks -- which hopefully measure, with some validity, the presence of capabilities that are also challenged in real application. But what makes the model perform well? What gives a model its abilities? We take a recently introduced type of benchmark that is meant to challenge capabilities in a goal-directed, agentive context through self-play of conversational games, and analyse how performance develops as a function of model characteristics like number of parameters, or type of training. We find that while there is a clear relationship between number of parameters and performance, there is still a wide spread of performance points within a given size bracket, which is to be accounted for by training parameters such as fine-tuning data quality and method. From a more practical angle, we also find a certain degree of unpredictability about performance across access methods, possible due to unexposed sampling parameters, and a, very welcome, performance stability against at least moderate weight quantisation during inference.

Large, pre-trained models are problematic to use in resource constrained applications. Fortunately, task-aware structured pruning methods offer a solution. These approaches reduce model size by dropping structural units like layers and attention heads in a manner that takes into account the end-task. However, these pruning algorithms require more task-specific data than is typically available. We propose a framework which combines structured pruning with transfer learning to reduce the need for task-specific data. Our empirical results answer questions such as: How should the two tasks be coupled? What parameters should be transferred? And, when during training should transfer learning be introduced? Leveraging these insights, we demonstrate that our framework results in pruned models with improved generalization over strong baselines.

Context. Recent developments in exoplanetary research highlight the importance of Love numbers in understanding their internal dynamics, formation, migration history and their potential habitability. Love numbers represent crucial parameters that gauge how exoplanets respond to external forces such as tidal interactions and rotational effects. By measuring these responses, we can gain insights into the internal structure, composition, and density distribution of exoplanets. The rate of apsidal precession of a planetary orbit is directly linked to the second-order fluid Love number, thus we can gain valuable insights into the mass distribution of the planet. Aims. In this context, we aim to re-determine the orbital parameters of WASP-43b-in particular, orbital period, eccentricity, and argument of the periastron-and its orbital evolution. We study the outcomes of the tidal interaction with the host star:whether tidal decay and periastron precession are occurring in the system. Method. We observed the system with HARPS, whose data we present for the first time, and we also analyse the newly acquired JWST full-phase light curve. We fit jointly archival and new radial velocity and transit and occultation mid-times, including tidal decay, periastron precession and long-term acceleration in the system. Results. We detected a tidal decay rate of \dotP_a=(-1.99pm0.50) and a periastron precession rate of \dotomega=(0.1851+0.0070-0.0077)=(0.1727+0.0083-0.0089)deg/d=(621.72+29.88-32.04)arcsec/d. This is the first time that both periastron precession and tidal decay are simultaneously detected in an exoplanetary system. The observed tidal interactions can neither be explained by the tidal contribution to apsidal motion of a non-aligned stellar or planetary rotation axis nor by assuming non-synchronous rotation for the planet, and a value for the planetary Love number cannot be derived. [...]

The colossal parameters and computational overhead of Large Language Models (LLMs) challenge their real-world applications. Network pruning, which targets unstructured or structured sparsity by removing redundant parameters, has recently been explored for LLM acceleration. Existing LLM pruning works focus on unstructured pruning, which typically requires special hardware support for a practical speed-up. In contrast, structured pruning can reduce latency on general devices. However, it remains a challenge to perform structured pruning efficiently and maintain performance, especially at high sparsity ratios. To this end, we introduce an efficient structured pruning framework named CFSP, which leverages both Coarse (interblock) and Fine-grained (intrablock) activation information as an importance criterion to guide pruning. The pruning is highly efficient, as it only requires one forward pass to compute feature activations. Specifically, we first allocate the sparsity budget across blocks based on their importance and then retain important weights within each block. In addition, we introduce a recovery fine-tuning strategy that adaptively allocates training overhead based on coarse-grained importance to further improve performance. Experimental results demonstrate that CFSP outperforms existing methods on diverse models across various sparsity budgets. Our code will be available at https://github.com/wyxscir/CFSP.

Current Multimodal Large Language Models (MLLMs) typically integrate a pre-trained LLM with another pre-trained vision transformer through a connector, such as an MLP, endowing the LLM with visual capabilities. However, the misalignment between two embedding strategies in MLLMs -- the structural textual embeddings based on an embedding look-up table and the continuous embeddings generated directly by the vision encoder -- makes challenges for a more seamless fusion of visual and textual information. We propose Ovis, a novel MLLM architecture designed to structurally align visual and textual embeddings. Ovis integrates an additional learnable visual embedding table into the visual encoder's process. To capture rich visual semantics, each image patch indexes the visual embedding table multiple times, resulting in a final visual embedding that is a probabilistic combination of the indexed embeddings. This structural approach mirrors the method used for generating textual embeddings. Empirical evaluations on various multimodal benchmarks demonstrate that Ovis outperforms open-source MLLMs of similar parameter scales and even surpasses the proprietary model Qwen-VL-Plus overall. These results highlight the potential of Ovis' structured visual representation for advancing MLLM architectural design and promoting more effective multimodal learning. Both the source code and the training dataset of Ovis will be made publicly available.

Neural Module Networks, originally proposed for the task of visual question answering, are a class of neural network architectures that involve human-specified neural modules, each designed for a specific form of reasoning. In current formulations of such networks only the parameters of the neural modules and/or the order of their execution is learned. In this work, we further expand this approach and also learn the underlying internal structure of modules in terms of the ordering and combination of simple and elementary arithmetic operators. Our results show that one is indeed able to simultaneously learn both internal module structure and module sequencing without extra supervisory signals for module execution sequencing. With this approach, we report performance comparable to models using hand-designed modules.

Genome-wide association study (GWAS) tests single nucleotide polymorphism (SNP) markers across the genome to localize the underlying causal variant of a trait. Because causal variants are seldom observed directly, a surrogate model based on genotyped markers are widely considered. Although many methods estimating the parameters of the surrogate model have been proposed, the connection between the surrogate model and the true causal model is yet investigated. In this work, we establish the connection between the surrogate model and the true causal model. The connection shows that population structure is accounted in GWAS by modelling the variant of interest and not the trait. Such observation explains how environmental confounding can be partially corrected using genetic covariates and why the previously claimed connection between PC correction and linear mixed models is incorrect.

Most graph neural network models learn embeddings of nodes in static attributed graphs for predictive analysis. Recent attempts have been made to learn temporal proximity of the nodes. We find that real dynamic attributed graphs exhibit complex co-evolution of node attributes and graph structure. Learning node embeddings for forecasting change of node attributes and birth and death of links over time remains an open problem. In this work, we present a novel framework called CoEvoGNN for modeling dynamic attributed graph sequence. It preserves the impact of earlier graphs on the current graph by embedding generation through the sequence. It has a temporal self-attention mechanism to model long-range dependencies in the evolution. Moreover, CoEvoGNN optimizes model parameters jointly on two dynamic tasks, attribute inference and link prediction over time. So the model can capture the co-evolutionary patterns of attribute change and link formation. This framework can adapt to any graph neural algorithms so we implemented and investigated three methods based on it: CoEvoGCN, CoEvoGAT, and CoEvoSAGE. Experiments demonstrate the framework (and its methods) outperform strong baselines on predicting an entire unseen graph snapshot of personal attributes and interpersonal links in dynamic social graphs and financial graphs.

Entity linking is a prominent thread of research focused on structured data creation by linking spans of text to an ontology or knowledge source. We revisit the use of structured prediction for entity linking which classifies each individual input token as an entity, and aggregates the token predictions. Our system, called SpEL (Structured prediction for Entity Linking) is a state-of-the-art entity linking system that uses some new ideas to apply structured prediction to the task of entity linking including: two refined fine-tuning steps; a context sensitive prediction aggregation strategy; reduction of the size of the model's output vocabulary, and; we address a common problem in entity-linking systems where there is a training vs. inference tokenization mismatch. Our experiments show that we can outperform the state-of-the-art on the commonly used AIDA benchmark dataset for entity linking to Wikipedia. Our method is also very compute efficient in terms of number of parameters and speed of inference.

We study inferring a tree-structured representation from a single image for object shading. Prior work typically uses the parametric or measured representation to model shading, which is neither interpretable nor easily editable. We propose using the shade tree representation, which combines basic shading nodes and compositing methods to factorize object surface shading. The shade tree representation enables novice users who are unfamiliar with the physical shading process to edit object shading in an efficient and intuitive manner. A main challenge in inferring the shade tree is that the inference problem involves both the discrete tree structure and the continuous parameters of the tree nodes. We propose a hybrid approach to address this issue. We introduce an auto-regressive inference model to generate a rough estimation of the tree structure and node parameters, and then we fine-tune the inferred shade tree through an optimization algorithm. We show experiments on synthetic images, captured reflectance, real images, and non-realistic vector drawings, allowing downstream applications such as material editing, vectorized shading, and relighting. Project website: https://chen-geng.com/inv-shade-trees

Fine-tuning pre-trained large language models (LLMs) presents a dual challenge of balancing parameter efficiency and model capacity. Existing methods like low-rank adaptations (LoRA) are efficient but lack flexibility, while Mixture-of-Experts (MoE) architectures enhance model capacity at the cost of more & under-utilized parameters. To address these limitations, we propose Structural Mixture of Residual Experts (S'MoRE), a novel framework that seamlessly integrates the efficiency of LoRA with the flexibility of MoE. Specifically, S'MoRE employs hierarchical low-rank decomposition of expert weights, yielding residuals of varying orders interconnected in a multi-layer structure. By routing input tokens through sub-trees of residuals, S'MoRE emulates the capacity of many experts by instantiating and assembling just a few low-rank matrices. We craft the inter-layer propagation of S'MoRE's residuals as a special type of Graph Neural Network (GNN), and prove that under similar parameter budget, S'MoRE improves "structural flexibility" of traditional MoE (or Mixture-of-LoRA) by exponential order. Comprehensive theoretical analysis and empirical results demonstrate that S'MoRE achieves superior fine-tuning performance, offering a transformative approach for efficient LLM adaptation.

Graph Structure Learning (GSL) has recently garnered considerable attention due to its ability to optimize both the parameters of Graph Neural Networks (GNNs) and the computation graph structure simultaneously. Despite the proliferation of GSL methods developed in recent years, there is no standard experimental setting or fair comparison for performance evaluation, which creates a great obstacle to understanding the progress in this field. To fill this gap, we systematically analyze the performance of GSL in different scenarios and develop a comprehensive Graph Structure Learning Benchmark (GSLB) curated from 20 diverse graph datasets and 16 distinct GSL algorithms. Specifically, GSLB systematically investigates the characteristics of GSL in terms of three dimensions: effectiveness, robustness, and complexity. We comprehensively evaluate state-of-the-art GSL algorithms in node- and graph-level tasks, and analyze their performance in robust learning and model complexity. Further, to facilitate reproducible research, we have developed an easy-to-use library for training, evaluating, and visualizing different GSL methods. Empirical results of our extensive experiments demonstrate the ability of GSL and reveal its potential benefits on various downstream tasks, offering insights and opportunities for future research. The code of GSLB is available at: https://github.com/GSL-Benchmark/GSLB.

Structural pruning enables model acceleration by removing structurally-grouped parameters from neural networks. However, the parameter-grouping patterns vary widely across different models, making architecture-specific pruners, which rely on manually-designed grouping schemes, non-generalizable to new architectures. In this work, we study a highly-challenging yet barely-explored task, any structural pruning, to tackle general structural pruning of arbitrary architecture like CNNs, RNNs, GNNs and Transformers. The most prominent obstacle towards this goal lies in the structural coupling, which not only forces different layers to be pruned simultaneously, but also expects all removed parameters to be consistently unimportant, thereby avoiding structural issues and significant performance degradation after pruning. To address this problem, we propose a general and {fully automatic} method, Dependency Graph (DepGraph), to explicitly model the dependency between layers and comprehensively group coupled parameters for pruning. In this work, we extensively evaluate our method on several architectures and tasks, including ResNe(X)t, DenseNet, MobileNet and Vision transformer for images, GAT for graph, DGCNN for 3D point cloud, alongside LSTM for language, and demonstrate that, even with a simple norm-based criterion, the proposed method consistently yields gratifying performances.

This study explores replacing Transformers in Visual Language Models (VLMs) with Mamba, a recent structured state space model (SSM) that demonstrates promising performance in sequence modeling. We test models up to 3B parameters under controlled conditions, showing that Mamba-based VLMs outperforms Transformers-based VLMs in captioning, question answering, and reading comprehension. However, we find that Transformers achieve greater performance in visual grounding and the performance gap widens with scale. We explore two hypotheses to explain this phenomenon: 1) the effect of task-agnostic visual encoding on the updates of the hidden states, and 2) the difficulty in performing visual grounding from the perspective of in-context multimodal retrieval. Our results indicate that a task-aware encoding yields minimal performance gains on grounding, however, Transformers significantly outperform Mamba at in-context multimodal retrieval. Overall, Mamba shows promising performance on tasks where the correct output relies on a summary of the image but struggles when retrieval of explicit information from the context is required.

Pruning is a model compression method that removes redundant parameters in deep neural networks (DNNs) while maintaining accuracy. Most available filter pruning methods require complex treatments such as iterative pruning, features statistics/ranking, or additional optimization designs in the training process. In this paper, we propose a simple and effective regularization strategy from a new perspective of evolution of features, which we call feature flow regularization (FFR), for improving structured sparsity and filter pruning in DNNs. Specifically, FFR imposes controls on the gradient and curvature of feature flow along the neural network, which implicitly increases the sparsity of the parameters. The principle behind FFR is that coherent and smooth evolution of features will lead to an efficient network that avoids redundant parameters. The high structured sparsity obtained from FFR enables us to prune filters effectively. Experiments with VGGNets, ResNets on CIFAR-10/100, and Tiny ImageNet datasets demonstrate that FFR can significantly improve both unstructured and structured sparsity. Our pruning results in terms of reduction of parameters and FLOPs are comparable to or even better than those of state-of-the-art pruning methods.

Deep neural networks include millions of learnable parameters, making their deployment over resource-constrained devices problematic. SeReNe (Sensitivity-based Regularization of Neurons) is a method for learning sparse topologies with a structure, exploiting neural sensitivity as a regularizer. We define the sensitivity of a neuron as the variation of the network output with respect to the variation of the activity of the neuron. The lower the sensitivity of a neuron, the less the network output is perturbed if the neuron output changes. By including the neuron sensitivity in the cost function as a regularization term, we areable to prune neurons with low sensitivity. As entire neurons are pruned rather then single parameters, practical network footprint reduction becomes possible. Our experimental results on multiple network architectures and datasets yield competitive compression ratios with respect to state-of-the-art references.

Data-driven learning is rapidly evolving and places a new perspective on realizing state-space dynamical systems. However, dynamical systems derived from nonlinear ordinary differential equations (ODEs) suffer from limitations in computational efficiency. Thus, this paper stems from data-driven learning to advance states of dynamical systems utilizing a structured neural network (StNN). The proposed learning technique also seeks to identify an optimal, low-complexity operator to solve dynamical systems, the so-called Hankel operator, derived from time-delay measurements. Thus, we utilize the StNN based on the Hankel operator to solve dynamical systems as an alternative to existing data-driven techniques. We show that the proposed StNN reduces the number of parameters and computational complexity compared with the conventional neural networks and also with the classical data-driven techniques, such as Sparse Identification of Nonlinear Dynamics (SINDy) and Hankel Alternative view of Koopman (HAVOK), which is commonly known as delay-Dynamic Mode Decomposition(DMD) or Hankel-DMD. More specifically, we present numerical simulations to solve dynamical systems utilizing the StNN based on the Hankel operator beginning from the fundamental Lotka-Volterra model, where we compare the StNN with the LEarning Across Dynamical Systems (LEADS), and extend our analysis to highly nonlinear and chaotic Lorenz systems, comparing the StNN with conventional neural networks, SINDy, and HAVOK. Hence, we show that the proposed StNN paves the way for realizing state-space dynamical systems with a low-complexity learning algorithm, enabling prediction and understanding of future states.

Automatic question generation (QG) serves a wide range of purposes, such as augmenting question-answering (QA) corpora, enhancing chatbot systems, and developing educational materials. Despite its importance, most existing datasets predominantly focus on English, resulting in a considerable gap in data availability for other languages. Cross-lingual transfer for QG (XLT-QG) addresses this limitation by allowing models trained on high-resource language datasets to generate questions in low-resource languages. In this paper, we propose a simple and efficient XLT-QG method that operates without the need for monolingual, parallel, or labeled data in the target language, utilizing a small language model. Our model, trained solely on English QA datasets, learns interrogative structures from a limited set of question exemplars, which are then applied to generate questions in the target language. Experimental results show that our method outperforms several XLT-QG baselines and achieves performance comparable to GPT-3.5-turbo across different languages. Additionally, the synthetic data generated by our model proves beneficial for training multilingual QA models. With significantly fewer parameters than large language models and without requiring additional training for target languages, our approach offers an effective solution for QG and QA tasks across various languages.

Modern text-to-image generation models produce high-quality images that are both photorealistic and faithful to the text prompts. However, this quality comes at significant computational cost: nearly all of these models are iterative and require running inference multiple times with large models. This iterative process is needed to ensure that different regions of the image are not only aligned with the text prompt, but also compatible with each other. In this work, we propose a light-weight approach to achieving this compatibility between different regions of an image, using a Markov Random Field (MRF) model. This method is shown to work in conjunction with the recently proposed Muse model. The MRF encodes the compatibility among image tokens at different spatial locations and enables us to significantly reduce the required number of Muse prediction steps. Inference with the MRF is significantly cheaper, and its parameters can be quickly learned through back-propagation by modeling MRF inference as a differentiable neural-network layer. Our full model, SPEGTI, uses this proposed MRF model to speed up Muse by 1.5X with no loss in output image quality.

Pretrained contextualized embeddings are powerful word representations for structured prediction tasks. Recent work found that better word representations can be obtained by concatenating different types of embeddings. However, the selection of embeddings to form the best concatenated representation usually varies depending on the task and the collection of candidate embeddings, and the ever-increasing number of embedding types makes it a more difficult problem. In this paper, we propose Automated Concatenation of Embeddings (ACE) to automate the process of finding better concatenations of embeddings for structured prediction tasks, based on a formulation inspired by recent progress on neural architecture search. Specifically, a controller alternately samples a concatenation of embeddings, according to its current belief of the effectiveness of individual embedding types in consideration for a task, and updates the belief based on a reward. We follow strategies in reinforcement learning to optimize the parameters of the controller and compute the reward based on the accuracy of a task model, which is fed with the sampled concatenation as input and trained on a task dataset. Empirical results on 6 tasks and 21 datasets show that our approach outperforms strong baselines and achieves state-of-the-art performance with fine-tuned embeddings in all the evaluations.

Tensor Networks (TN) offer a powerful framework to efficiently represent very high-dimensional objects. TN have recently shown their potential for machine learning applications and offer a unifying view of common tensor decomposition models such as Tucker, tensor train (TT) and tensor ring (TR). However, identifying the best tensor network structure from data for a given task is challenging. In this work, we leverage the TN formalism to develop a generic and efficient adaptive algorithm to jointly learn the structure and the parameters of a TN from data. Our method is based on a simple greedy approach starting from a rank one tensor and successively identifying the most promising tensor network edges for small rank increments. Our algorithm can adaptively identify TN structures with small number of parameters that effectively optimize any differentiable objective function. Experiments on tensor decomposition, tensor completion and model compression tasks demonstrate the effectiveness of the proposed algorithm. In particular, our method outperforms the state-of-the-art evolutionary topology search [Li and Sun, 2020] for tensor decomposition of images (while being orders of magnitude faster) and finds efficient tensor network structures to compress neural networks outperforming popular TT based approaches [Novikov et al., 2015].

Crowd counting is an application-oriented task and its inference efficiency is crucial for real-world applications. However, most previous works relied on heavy backbone networks and required prohibitive run-time consumption, which would seriously restrict their deployment scopes and cause poor scalability. To liberate these crowd counting models, we propose a novel Structured Knowledge Transfer (SKT) framework, which fully exploits the structured knowledge of a well-trained teacher network to generate a lightweight but still highly effective student network. Specifically, it is integrated with two complementary transfer modules, including an Intra-Layer Pattern Transfer which sequentially distills the knowledge embedded in layer-wise features of the teacher network to guide feature learning of the student network and an Inter-Layer Relation Transfer which densely distills the cross-layer correlation knowledge of the teacher to regularize the student's feature evolutio Consequently, our student network can derive the layer-wise and cross-layer knowledge from the teacher network to learn compact yet effective features. Extensive evaluations on three benchmarks well demonstrate the effectiveness of our SKT for extensive crowd counting models. In particular, only using around 6% of the parameters and computation cost of original models, our distilled VGG-based models obtain at least 6.5times speed-up on an Nvidia 1080 GPU and even achieve state-of-the-art performance. Our code and models are available at {https://github.com/HCPLab-SYSU/SKT}.

Overparameterized transformer networks have obtained state of the art results in various natural language processing tasks, such as machine translation, language modeling, and question answering. These models contain hundreds of millions of parameters, necessitating a large amount of computation and making them prone to overfitting. In this work, we explore LayerDrop, a form of structured dropout, which has a regularization effect during training and allows for efficient pruning at inference time. In particular, we show that it is possible to select sub-networks of any depth from one large network without having to finetune them and with limited impact on performance. We demonstrate the effectiveness of our approach by improving the state of the art on machine translation, language modeling, summarization, question answering, and language understanding benchmarks. Moreover, we show that our approach leads to small BERT-like models of higher quality compared to training from scratch or using distillation.

In this paper, we present a method which combines the flexibility of the neural algorithm of artistic style with the speed of fast style transfer networks to allow real-time stylization using any content/style image pair. We build upon recent work leveraging conditional instance normalization for multi-style transfer networks by learning to predict the conditional instance normalization parameters directly from a style image. The model is successfully trained on a corpus of roughly 80,000 paintings and is able to generalize to paintings previously unobserved. We demonstrate that the learned embedding space is smooth and contains a rich structure and organizes semantic information associated with paintings in an entirely unsupervised manner.

We introduce a novel 3D generation method for versatile and high-quality 3D asset creation. The cornerstone is a unified Structured LATent (SLAT) representation which allows decoding to different output formats, such as Radiance Fields, 3D Gaussians, and meshes. This is achieved by integrating a sparsely-populated 3D grid with dense multiview visual features extracted from a powerful vision foundation model, comprehensively capturing both structural (geometry) and textural (appearance) information while maintaining flexibility during decoding. We employ rectified flow transformers tailored for SLAT as our 3D generation models and train models with up to 2 billion parameters on a large 3D asset dataset of 500K diverse objects. Our model generates high-quality results with text or image conditions, significantly surpassing existing methods, including recent ones at similar scales. We showcase flexible output format selection and local 3D editing capabilities which were not offered by previous models. Code, model, and data will be released.

A lightweight underwater image enhancement network is of great significance for resource-constrained platforms, but balancing model size, computational efficiency, and enhancement performance has proven difficult for previous approaches. In this work, we propose the Five A^{+} Network (FA^{+}Net), a highly efficient and lightweight real-time underwater image enhancement network with only sim 9k parameters and sim 0.01s processing time. The FA^{+}Net employs a two-stage enhancement structure. The strong prior stage aims to decompose challenging underwater degradations into sub-problems, while the fine-grained stage incorporates multi-branch color enhancement module and pixel attention module to amplify the network's perception of details. To the best of our knowledge, FA^{+}Net is the only network with the capability of real-time enhancement of 1080P images. Thorough extensive experiments and comprehensive visual comparison, we show that FA^{+}Net outperforms previous approaches by obtaining state-of-the-art performance on multiple datasets while significantly reducing both parameter count and computational complexity. The code is open source at https://github.com/Owen718/FiveAPlus-Network.

Incorporating modular designs into neural networks demonstrates superior out-of-generalization, learning efficiency, etc. Existing modular neural networks are generally explicit because their modular architectures are pre-defined, and individual modules are expected to implement distinct functions. Conversely, recent works reveal that there exist implicit modular structures in standard pre-trained transformers, namely Emergent Modularity. They indicate that such modular structures exhibit during the early pre-training phase and are totally spontaneous. However, most transformers are still treated as monolithic models with their modular natures underutilized. Therefore, given the excellent properties of explicit modular architecture, we explore whether and how dense pre-trained transformers can benefit from emergent modular structures. To study this question, we construct Emergent Mixture-of-Experts (EMoE). Without introducing additional parameters, EMoE can be seen as the modular counterpart of the original model and can be effortlessly incorporated into downstream tuning. Extensive experiments (we tune 1785 models) on various downstream tasks (vision and language) and models (22M to1.5B) demonstrate that EMoE effectively boosts in-domain and out-of-domain generalization abilities. Further analysis and ablation study suggest that EMoE mitigates negative knowledge transfer and is robust to various configurations. Code is available at https://github.com/qiuzh20/EMoE

Language exhibits a fractal structure in its information-theoretic complexity (i.e. bits per token), with self-similarity across scales and long-range dependence (LRD). In this work, we investigate whether large language models (LLMs) can replicate such fractal characteristics and identify conditions-such as temperature setting and prompting method-under which they may fail. Moreover, we find that the fractal parameters observed in natural language are contained within a narrow range, whereas those of LLMs' output vary widely, suggesting that fractal parameters might prove helpful in detecting a non-trivial portion of LLM-generated texts. Notably, these findings, and many others reported in this work, are robust to the choice of the architecture; e.g. Gemini 1.0 Pro, Mistral-7B and Gemma-2B. We also release a dataset comprising of over 240,000 articles generated by various LLMs (both pretrained and instruction-tuned) with different decoding temperatures and prompting methods, along with their corresponding human-generated texts. We hope that this work highlights the complex interplay between fractal properties, prompting, and statistical mimicry in LLMs, offering insights for generating, evaluating and detecting synthetic texts.

In the realm of resource-constrained mobile vision tasks, the pursuit of efficiency and performance consistently drives innovation in lightweight Convolutional Neural Networks (CNNs) and Vision Transformers (ViTs). While ViTs excel at capturing global context through self-attention mechanisms, their deployment in resource-limited environments is hindered by computational complexity and latency. Conversely, lightweight CNNs are favored for their parameter efficiency and low latency. This study investigates the complementary advantages of CNNs and ViTs to develop a versatile vision backbone tailored for resource-constrained applications. We introduce RepNeXt, a novel model series integrates multi-scale feature representations and incorporates both serial and parallel structural reparameterization (SRP) to enhance network depth and width without compromising inference speed. Extensive experiments demonstrate RepNeXt's superiority over current leading lightweight CNNs and ViTs, providing advantageous latency across various vision benchmarks. RepNeXt-M4 matches RepViT-M1.5's 82.3\% accuracy on ImageNet within 1.5ms on an iPhone 12, outperforms its AP^{box} by 1.3 on MS-COCO, and reduces parameters by 0.7M. Codes and models are available at https://github.com/suous/RepNeXt.

Large pretrained language models (LLMs) can be rapidly adapted to a wide variety of tasks via a text-to-text approach, where the instruction and input are fed to the model in natural language. Combined with in-context learning (ICL), this paradigm is impressively flexible and powerful. However, it also burdens users with an overwhelming number of choices, many of them arbitrary. Inspired by markup languages like HTML, we contribute a method of using soft-token tags to compose prompt templates. This approach reduces arbitrary decisions and streamlines the application of ICL. Our method is a form of meta-learning for ICL; it learns these tags in advance during a parameter-efficient fine-tuning ``warm-up'' process. The tags can subsequently be used in templates for ICL on new, unseen tasks without any additional fine-tuning. Our experiments with this approach yield promising initial results, improving LLM performance on important enterprise applications such as few-shot and open-world intent detection, as well as text classification in news and legal domains.

Despite the widespread application of latent factor analysis, existing methods suffer from the following weaknesses: requiring the number of factors to be known, lack of theoretical guarantees for learning the model structure, and nonidentifiability of the parameters due to rotation invariance properties of the likelihood. We address these concerns by proposing a fast correlation thresholding (CT) algorithm that simultaneously learns the number of latent factors and a rotationally identifiable model structure. Our novel approach translates this structure learning problem into the search for so-called independent maximal cliques in a thresholded correlation graph that can be easily constructed from the observed data. Our clique analysis technique scales well up to thousands of variables, while competing methods are not applicable in a reasonable amount of running time. We establish a finite-sample error bound and high-dimensional consistency for the structure learning of our method. Through a series of simulation studies and a real data example, we show that the CT algorithm is an accurate method for learning the structure of factor analysis models and is robust to violations of its assumptions.

Multi-turn instruction following capability constitutes a core competency of large language models (LLMs) in real-world applications. Existing evaluation benchmarks predominantly focus on fine-grained constraint satisfaction and domain-specific capability assessment, yet overlook the crucial structural dependency between dialogue turns that distinguishes multi-turn from single-turn interactions. This structural dependency not only reflects user intent but also establishes a second dimension for instruction following evaluation beyond constraint satisfaction. To address this gap, we propose StructFlowBench, a multi-turn instruction following benchmark with structural flow modeling. The benchmark innovatively defines a structural flow framework comprising six fundamental inter-turn relationships, which not only introduces novel structural constraints for model evaluation but also serves as generation parameters for creating customized dialogue flows tailored to specific scenarios. Adopting established LLM-based automatic evaluation methodologies, we conduct systematic evaluations of 13 leading open-source and closed-source LLMs. Experimental results reveal significant deficiencies in current models' comprehension of multi-turn dialogue structures. The code is available at https://github.com/MLGroupJLU/StructFlowBench.

This paper explores the potential of a small, domain-specific language model trained exclusively on sports-related data. We investigate whether extensive training data with specially designed small model structures can overcome model size constraints. The study introduces the OnlySports collection, comprising OnlySportsLM, OnlySports Dataset, and OnlySports Benchmark. Our approach involves: 1) creating a massive 600 billion tokens OnlySports Dataset from FineWeb, 2) optimizing the RWKV architecture for sports-related tasks, resulting in a 196M parameters model with 20-layer, 640-dimension structure, 3) training the OnlySportsLM on part of OnlySports Dataset, and 4) testing the resultant model on OnlySports Benchmark. OnlySportsLM achieves a 37.62%/34.08% accuracy improvement over previous 135M/360M state-of-the-art models and matches the performance of larger models such as SomlLM 1.7B and Qwen 1.5B in the sports domain. Additionally, the OnlySports collection presents a comprehensive workflow for building high-quality, domain-specific language models, providing a replicable blueprint for efficient AI development across various specialized fields.

Self-supervised pre-trained models such as Wav2vec2, Hubert, and WavLM have been shown to significantly improve many speech tasks. However, their large memory and strong computational requirements hinder their industrial applicability. Structured pruning is a hardware-friendly model compression technique but usually results in a larger loss of accuracy. In this paper, we propose a fine-grained attention head pruning method to compensate for the performance degradation. In addition, we also introduce the straight through estimator into the L0 regularization to further accelerate the pruned model. Experiments on the SUPERB benchmark show that our model can achieve comparable performance to the dense model in multiple tasks and outperforms the Wav2vec 2.0 base model on average, with 72% fewer parameters and 2 times faster inference speed.

Spider webs are incredible biological structures, comprising thin but strong silk filament and arranged into complex hierarchical architectures with striking mechanical properties (e.g., lightweight but high strength, achieving diverse mechanical responses). While simple 2D orb webs can easily be mimicked, the modeling and synthesis of 3D-based web structures remain challenging, partly due to the rich set of design features. Here we provide a detailed analysis of the heterogenous graph structures of spider webs, and use deep learning as a way to model and then synthesize artificial, bio-inspired 3D web structures. The generative AI models are conditioned based on key geometric parameters (including average edge length, number of nodes, average node degree, and others). To identify graph construction principles, we use inductive representation sampling of large experimentally determined spider web graphs, to yield a dataset that is used to train three conditional generative models: 1) An analog diffusion model inspired by nonequilibrium thermodynamics, with sparse neighbor representation, 2) a discrete diffusion model with full neighbor representation, and 3) an autoregressive transformer architecture with full neighbor representation. All three models are scalable, produce complex, de novo bio-inspired spider web mimics, and successfully construct graphs that meet the design objectives. We further propose algorithm that assembles web samples produced by the generative models into larger-scale structures based on a series of geometric design targets, including helical and parametric shapes, mimicking, and extending natural design principles towards integration with diverging engineering objectives. Several webs are manufactured using 3D printing and tested to assess mechanical properties.

The rapid evolution of modern malware presents significant challenges to the development of effective defense mechanisms. Traditional cyber deception techniques often rely on static or manually configured parameters, limiting their adaptability to dynamic and sophisticated threats. This study leverages Generative AI (GenAI) models to automate the creation of adaptive cyber deception ploys, focusing on structured prompt engineering (PE) to enhance relevance, actionability, and deployability. We introduce a systematic framework (SPADE) to address inherent challenges large language models (LLMs) pose to adaptive deceptions, including generalized outputs, ambiguity, under-utilization of contextual information, and scalability constraints. Evaluations across diverse malware scenarios using metrics such as Recall, Exact Match (EM), BLEU Score, and expert quality assessments identified ChatGPT-4o as the top performer. Additionally, it achieved high engagement (93%) and accuracy (96%) with minimal refinements. Gemini and ChatGPT-4o Mini demonstrated competitive performance, with Llama3.2 showing promise despite requiring further optimization. These findings highlight the transformative potential of GenAI in automating scalable, adaptive deception strategies and underscore the critical role of structured PE in advancing real-world cybersecurity applications.

Modern learning frameworks often train deep neural networks with massive amounts of unlabeled data to learn representations by solving simple pretext tasks, then use the representations as foundations for downstream tasks. These networks are empirically designed; as such, they are usually not interpretable, their representations are not structured, and their designs are potentially redundant. White-box deep networks, in which each layer explicitly identifies and transforms structures in the data, present a promising alternative. However, existing white-box architectures have only been shown to work at scale in supervised settings with labeled data, such as classification. In this work, we provide the first instantiation of the white-box design paradigm that can be applied to large-scale unsupervised representation learning. We do this by exploiting a fundamental connection between diffusion, compression, and (masked) completion, deriving a deep transformer-like masked autoencoder architecture, called CRATE-MAE, in which the role of each layer is mathematically fully interpretable: they transform the data distribution to and from a structured representation. Extensive empirical evaluations confirm our analytical insights. CRATE-MAE demonstrates highly promising performance on large-scale imagery datasets while using only ~30% of the parameters compared to the standard masked autoencoder with the same model configuration. The representations learned by CRATE-MAE have explicit structure and also contain semantic meaning. Code is available at https://github.com/Ma-Lab-Berkeley/CRATE .

Storing open-source fine-tuned models separately introduces redundancy and increases response times in applications utilizing multiple models. Delta-parameter pruning (DPP), particularly the random drop and rescale (DARE) method proposed by Yu et al., addresses this by pruning the majority of delta parameters--the differences between fine-tuned and pre-trained model weights--while typically maintaining minimal performance loss. However, DARE fails when either the pruning rate or the magnitude of the delta parameters is large. We highlight two key reasons for this failure: (1) an excessively large rescaling factor as pruning rates increase, and (2) high mean and variance in the delta parameters. To push DARE's limits, we introduce DAREx (DARE the eXtreme), which features two algorithmic improvements: (1) DAREx-q, a rescaling factor modification that significantly boosts performance at high pruning rates (e.g., >30 % on COLA and SST2 for encoder models, with even greater gains in decoder models), and (2) DAREx-L2, which combines DARE with AdamR, an in-training method that applies appropriate delta regularization before DPP. We also demonstrate that DAREx-q can be seamlessly combined with vanilla parameter-efficient fine-tuning techniques like LoRA and can facilitate structural DPP. Additionally, we revisit the application of importance-based pruning techniques within DPP, demonstrating that they outperform random-based methods when delta parameters are large. Through this comprehensive study, we develop a pipeline for selecting the most appropriate DPP method under various practical scenarios.

Transformer-based Large Language Models (LLMs) have demonstrated remarkable success across various challenging tasks. However, the deployment of LLMs is hindered by their substantial parameter count and memory consumption. Recently, numerous studies have attempted to compress LLMs by pruning them using training-free methods. However, these pruned models often experience significant performance degradation on complex tasks. To address this issue, we propose a novel training pipeline for semi-structured sparse models, named Adaptive Sparse Trainer (AST). By distilling the knowledge stored in its dense counterpart, we prevent the sparse model from overfitting and ensure a stable training process. Moreover, AST allows the model to adaptively select better lottery tickets (e.g., masks) during training. Additionally, we discovered that adding extra well-initialized parameters can further enhance model performance with only a small increase in memory footprint. Our method significantly narrows the performance gap between dense and sparse models while maintaining limited computational cost. Furthermore, when combined with existing quantization methods, AST can compress language models by up to 16x compared to dense FP32 precision models with minimal performance loss. AST outperforms previous state-of-the-art methods by reducing the zero-shot accuracy gap between dense and semi-structured sparse models to 1.12% across multiple zero-shot tasks on Llama2-7B, using less than 0.4% of the pretraining tokens.

In this paper, we present a complete refractive Structure-from-Motion (RSfM) framework for underwater 3D reconstruction using refractive camera setups (for both, flat- and dome-port underwater housings). Despite notable achievements in refractive multi-view geometry over the past decade, a robust, complete and publicly available solution for such tasks is not available at present, and often practical applications have to resort to approximating refraction effects by the intrinsic (distortion) parameters of a pinhole camera model. To fill this gap, we have integrated refraction considerations throughout the entire SfM process within the state-of-the-art, open-source SfM framework COLMAP. Numerical simulations and reconstruction results on synthetically generated but photo-realistic images with ground truth validate that enabling refraction does not compromise accuracy or robustness as compared to in-air reconstructions. Finally, we demonstrate the capability of our approach for large-scale refractive scenarios using a dataset consisting of nearly 6000 images. The implementation is released as open-source at: https://cau-git.rz.uni-kiel.de/inf-ag-koeser/colmap_underwater.

Ribonucleic acid (RNA) plays a variety of crucial roles in fundamental biological processes. Recently, RNA has become an interesting drug target, emphasizing the need to improve our understanding of its structures and functions. Over the years, sequencing technologies have produced an enormous amount of unlabeled RNA data, which hides important knowledge and potential. Motivated by the successes of protein language models, we introduce RiboNucleic Acid Language Model (RiNALMo) to help unveil the hidden code of RNA. RiNALMo is the largest RNA language model to date with 650 million parameters pre-trained on 36 million non-coding RNA sequences from several available databases. RiNALMo is able to extract hidden knowledge and capture the underlying structure information implicitly embedded within the RNA sequences. RiNALMo achieves state-of-the-art results on several downstream tasks. Notably, we show that its generalization capabilities can overcome the inability of other deep learning methods for secondary structure prediction to generalize on unseen RNA families. The code has been made publicly available on https://github.com/lbcb-sci/RiNALMo.

With the availability of massive general-domain dialogue data, pre-trained dialogue generation appears to be super appealing to transfer knowledge from the general domain to downstream applications. In most existing work, such transferable ability is mainly obtained by fitting a large model with hundreds of millions of parameters on massive data in an exhaustive way, leading to inefficient running and poor interpretability. This paper proposes a novel dialogue generation model with a latent structure that is easily transferable from the general domain to downstream tasks in a lightweight and transparent way. Experiments on two benchmarks validate the effectiveness of the proposed model. Thanks to the transferable latent structure, our model is able to yield better dialogue responses than four strong baselines in terms of both automatic and human evaluations, and our model with about 22% parameters particularly delivers a 5x speedup in running time compared with the strongest baseline. Moreover, the proposed model is explainable by interpreting the discrete latent variables.

This paper investigates efficient deep neural networks (DNNs) to replace dense unstructured weight matrices with structured ones that possess desired properties. The challenge arises because the optimal weight matrix structure in popular neural network models is obscure in most cases and may vary from layer to layer even in the same network. Prior structured matrices proposed for efficient DNNs were mostly hand-crafted without a generalized framework to systematically learn them. To address this issue, we propose a generalized and differentiable framework to learn efficient structures of weight matrices by gradient descent. We first define a new class of structured matrices that covers a wide range of structured matrices in the literature by adjusting the structural parameters. Then, the frequency-domain differentiable parameterization scheme based on the Gaussian-Dirichlet kernel is adopted to learn the structural parameters by proximal gradient descent. On the image and language tasks, our method learns efficient DNNs with structured matrices, achieving lower complexity and/or higher performance than prior approaches that employ low-rank, block-sparse, or block-low-rank matrices.

Hyperparameter optimization can be formulated as a bilevel optimization problem, where the optimal parameters on the training set depend on the hyperparameters. We aim to adapt regularization hyperparameters for neural networks by fitting compact approximations to the best-response function, which maps hyperparameters to optimal weights and biases. We show how to construct scalable best-response approximations for neural networks by modeling the best-response as a single network whose hidden units are gated conditionally on the regularizer. We justify this approximation by showing the exact best-response for a shallow linear network with L2-regularized Jacobian can be represented by a similar gating mechanism. We fit this model using a gradient-based hyperparameter optimization algorithm which alternates between approximating the best-response around the current hyperparameters and optimizing the hyperparameters using the approximate best-response function. Unlike other gradient-based approaches, we do not require differentiating the training loss with respect to the hyperparameters, allowing us to tune discrete hyperparameters, data augmentation hyperparameters, and dropout probabilities. Because the hyperparameters are adapted online, our approach discovers hyperparameter schedules that can outperform fixed hyperparameter values. Empirically, our approach outperforms competing hyperparameter optimization methods on large-scale deep learning problems. We call our networks, which update their own hyperparameters online during training, Self-Tuning Networks (STNs).

Predicting physical properties of materials from their crystal structures is a fundamental problem in materials science. In peripheral areas such as the prediction of molecular properties, fully connected attention networks have been shown to be successful. However, unlike these finite atom arrangements, crystal structures are infinitely repeating, periodic arrangements of atoms, whose fully connected attention results in infinitely connected attention. In this work, we show that this infinitely connected attention can lead to a computationally tractable formulation, interpreted as neural potential summation, that performs infinite interatomic potential summations in a deeply learned feature space. We then propose a simple yet effective Transformer-based encoder architecture for crystal structures called Crystalformer. Compared to an existing Transformer-based model, the proposed model requires only 29.4% of the number of parameters, with minimal modifications to the original Transformer architecture. Despite the architectural simplicity, the proposed method outperforms state-of-the-art methods for various property regression tasks on the Materials Project and JARVIS-DFT datasets.

Music is characterized by complex hierarchical structures. Developing a comprehensive model to capture these structures has been a significant challenge in the field of Music Information Retrieval (MIR). Prior research has mainly focused on addressing individual tasks for specific hierarchical levels, rather than providing a unified approach. In this paper, we introduce a versatile, all-in-one model that jointly performs beat and downbeat tracking as well as functional structure segmentation and labeling. The model leverages source-separated spectrograms as inputs and employs dilated neighborhood attentions to capture temporal long-term dependencies, along with non-dilated attentions for local instrumental dependencies. Consequently, the proposed model achieves state-of-the-art performance in all four tasks on the Harmonix Set while maintaining a relatively lower number of parameters compared to recent state-of-the-art models. Furthermore, our ablation study demonstrates that the concurrent learning of beats, downbeats, and segments can lead to enhanced performance, with each task mutually benefiting from the others.

In this paper, we propose a novel network, SVDFormer, to tackle two specific challenges in point cloud completion: understanding faithful global shapes from incomplete point clouds and generating high-accuracy local structures. Current methods either perceive shape patterns using only 3D coordinates or import extra images with well-calibrated intrinsic parameters to guide the geometry estimation of the missing parts. However, these approaches do not always fully leverage the cross-modal self-structures available for accurate and high-quality point cloud completion. To this end, we first design a Self-view Fusion Network that leverages multiple-view depth image information to observe incomplete self-shape and generate a compact global shape. To reveal highly detailed structures, we then introduce a refinement module, called Self-structure Dual-generator, in which we incorporate learned shape priors and geometric self-similarities for producing new points. By perceiving the incompleteness of each point, the dual-path design disentangles refinement strategies conditioned on the structural type of each point. SVDFormer absorbs the wisdom of self-structures, avoiding any additional paired information such as color images with precisely calibrated camera intrinsic parameters. Comprehensive experiments indicate that our method achieves state-of-the-art performance on widely-used benchmarks. Code will be available at https://github.com/czvvd/SVDFormer.

In biological research, fluorescence staining is a key technique to reveal the locations and morphology of subcellular structures. However, it is slow, expensive, and harmful to cells. In this paper, we model it as a deep learning task termed subcellular structure prediction (SSP), aiming to predict the 3D fluorescent images of multiple subcellular structures from a 3D transmitted-light image. Unfortunately, due to the limitations of current biotechnology, each image is partially labeled in SSP. Besides, naturally, subcellular structures vary considerably in size, which causes the multi-scale issue of SSP. To overcome these challenges, we propose Re-parameterizing Mixture-of-Diverse-Experts (RepMode), a network that dynamically organizes its parameters with task-aware priors to handle specified single-label prediction tasks. In RepMode, the Mixture-of-Diverse-Experts (MoDE) block is designed to learn the generalized parameters for all tasks, and gating re-parameterization (GatRep) is performed to generate the specialized parameters for each task, by which RepMode can maintain a compact practical topology exactly like a plain network, and meanwhile achieves a powerful theoretical topology. Comprehensive experiments show that RepMode can achieve state-of-the-art overall performance in SSP.

In this work, we study whether multilingual language models (MultiLMs) can transfer logical reasoning abilities to other languages when they are fine-tuned for reasoning in a different language. We evaluate the cross-lingual reasoning abilities of MultiLMs in two schemes: (1) where the language of the context and the question remain the same in the new languages that are tested (i.e., the reasoning is still monolingual, but the model must transfer the learned reasoning ability across languages), and (2) where the language of the context and the question is different (which we term code-switched reasoning). On two logical reasoning datasets, RuleTaker and LeapOfThought, we demonstrate that although MultiLMs can transfer reasoning ability across languages in a monolingual setting, they struggle to transfer reasoning abilities in a code-switched setting. Following this observation, we propose a novel attention mechanism that uses a dedicated set of parameters to encourage cross-lingual attention in code-switched sequences, which improves the reasoning performance by up to 14% and 4% on the RuleTaker and LeapOfThought datasets, respectively.

This paper presents novel systems and methodologies for the development of efficient large language models (LLMs). It explores the trade-offs between model size, performance, and computational resources, with the aim of maximizing the efficiency of these AI systems. The research explores novel methods that allow different parts of the model to share parameters, reducing the total number of unique parameters required. This approach ensures that the model remains compact without sacrificing its ability to learn and represent complex language structures. This study provides valuable insights and tools for creating more efficient and effective LLMs, contributing to a more sustainable and accessible future for AI language modeling.

BACKGROUND: Radiology reports are typically written in a free-text format, making clinical information difficult to extract and use. Recently the adoption of structured reporting (SR) has been recommended by various medical societies thanks to the advantages it offers, e.g. standardization, completeness and information retrieval. We propose a pipeline to extract information from free-text radiology reports, that fits with the items of the reference SR registry proposed by a national society of interventional and medical radiology, focusing on CT staging of patients with lymphoma. METHODS: Our work aims to leverage the potential of Natural Language Processing (NLP) and Transformer-based models to deal with automatic SR registry filling. With the availability of 174 radiology reports, we investigate a rule-free generative Question Answering approach based on a domain-specific version of T5 (IT5). Two strategies (batch-truncation and ex-post combination) are implemented to comply with the model's context length limitations. Performance is evaluated in terms of strict accuracy, F1, and format accuracy, and compared with the widely used GPT-3.5 Large Language Model. A 5-point Likert scale questionnaire is used to collect human-expert feedback on the similarity between medical annotations and generated answers. RESULTS: The combination of fine-tuning and batch splitting allows IT5 to achieve notable results; it performs on par with GPT-3.5 albeit its size being a thousand times smaller in terms of parameters. Human-based assessment scores show a high correlation (Spearman's correlation coefficients>0.88, p-values<0.001) with AI performance metrics (F1) and confirm the superior ability of LLMs (i.e., GPT-3.5, 175B of parameters) in generating plausible human-like statements.

Modern neural recording techniques allow neuroscientists to obtain spiking activity of multiple neurons from different brain regions over long time periods, which requires new statistical methods to be developed for understanding structure of the large-scale data. In this paper, we develop a bi-clustering method to cluster the neural spiking activity spatially and temporally, according to their low-dimensional latent structures. The spatial (neuron) clusters are defined by the latent trajectories within each neural population, while the temporal (state) clusters are defined by (populationally) synchronous local linear dynamics shared with different periods. To flexibly extract the bi-clustering structure, we build the model non-parametrically, and develop an efficient Markov chain Monte Carlo (MCMC) algorithm to sample the posterior distributions of model parameters. Validating our proposed MCMC algorithm through simulations, we find the method can recover unknown parameters and true bi-clustering structures successfully. We then apply the proposed bi-clustering method to multi-regional neural recordings under different experiment settings, where we find that simultaneously considering latent trajectories and spatial-temporal clustering structures can provide us with a more accurate and interpretable result. Overall, the proposed method provides scientific insights for large-scale (counting) time series with elongated recording periods, and it can potentially have application beyond neuroscience.

Recent work has identified simple empirical scaling laws for language models, linking compute budget, dataset size, model size, and autoregressive modeling loss. The validity of these simple power laws across orders of magnitude in model scale provides compelling evidence that larger models are also more capable models. However, scaling up models under the constraints of hardware and infrastructure is no easy feat, and rapidly becomes a hard and expensive engineering problem. We investigate ways to tentatively cheat scaling laws, and train larger models for cheaper. We emulate an increase in effective parameters, using efficient approximations: either by doping the models with frozen random parameters, or by using fast structured transforms in place of dense linear layers. We find that the scaling relationship between test loss and compute depends only on the actual number of trainable parameters; scaling laws cannot be deceived by spurious parameters.

This paper introduces YOLOv8-TO, a novel approach for reverse engineering of topology-optimized structures into interpretable geometric parameters using the YOLOv8 instance segmentation model. Density-based topology optimization methods require post-processing to convert the optimal density distribution into a parametric representation for design exploration and integration with CAD tools. Traditional methods such as skeletonization struggle with complex geometries and require manual intervention. YOLOv8-TO addresses these challenges by training a custom YOLOv8 model to automatically detect and reconstruct structural components from binary density distributions. The model is trained on a diverse dataset of both optimized and random structures generated using the Moving Morphable Components method. A custom reconstruction loss function based on the dice coefficient of the predicted geometry is used to train the new regression head of the model via self-supervised learning. The method is evaluated on test sets generated from different topology optimization methods, including out-of-distribution samples, and compared against a skeletonization approach. Results show that YOLOv8-TO significantly outperforms skeletonization in reconstructing visually and structurally similar designs. The method showcases an average improvement of 13.84% in the Dice coefficient, with peak enhancements reaching 20.78%. The method demonstrates good generalization to complex geometries and fast inference times, making it suitable for integration into design workflows using regular workstations. Limitations include the sensitivity to non-max suppression thresholds. YOLOv8-TO represents a significant advancement in topology optimization post-processing, enabling efficient and accurate reverse engineering of optimized structures for design exploration and manufacturing.

We present a system that allows for accurate, fast, and robust estimation of camera parameters and depth maps from casual monocular videos of dynamic scenes. Most conventional structure from motion and monocular SLAM techniques assume input videos that feature predominantly static scenes with large amounts of parallax. Such methods tend to produce erroneous estimates in the absence of these conditions. Recent neural network-based approaches attempt to overcome these challenges; however, such methods are either computationally expensive or brittle when run on dynamic videos with uncontrolled camera motion or unknown field of view. We demonstrate the surprising effectiveness of a deep visual SLAM framework: with careful modifications to its training and inference schemes, this system can scale to real-world videos of complex dynamic scenes with unconstrained camera paths, including videos with little camera parallax. Extensive experiments on both synthetic and real videos demonstrate that our system is significantly more accurate and robust at camera pose and depth estimation when compared with prior and concurrent work, with faster or comparable running times. See interactive results on our project page: https://mega-sam.github.io/

We consider a family of linear systems A_mu alpha=C with system matrix A_mu depending on a parameter mu and for simplicity parameter-independent right-hand side C. These linear systems typically result from the finite-dimensional approximation of a parameter-dependent boundary-value problem. We derive a procedure based on the Empirical Interpolation Method to obtain a separated representation of the system matrix in the form A_muapproxsum_{m}beta_m(mu)A_{mu_m} for some selected values of the parameter. Such a separated representation is in particular useful in the Reduced Basis Method. The procedure is called nonintrusive since it only requires to access the matrices A_{mu_m}. As such, it offers a crucial advantage over existing approaches that instead derive separated representations requiring to enter the code at the level of assembly. Numerical examples illustrate the performance of our new procedure on a simple one-dimensional boundary-value problem and on three-dimensional acoustic scattering problems solved by a boundary element method.

Recent work has highlighted the complex influence training hyperparameters, e.g., the number of training epochs, can have on the prunability of machine learning models. Perhaps surprisingly, a systematic approach to predict precisely how adjusting a specific hyperparameter will affect prunability remains elusive. To address this gap, we introduce a phenomenological model grounded in the statistical mechanics of learning. Our approach uses temperature-like and load-like parameters to model the impact of neural network (NN) training hyperparameters on pruning performance. A key empirical result we identify is a sharp transition phenomenon: depending on the value of a load-like parameter in the pruned model, increasing the value of a temperature-like parameter in the pre-pruned model may either enhance or impair subsequent pruning performance. Based on this transition, we build a three-regime model by taxonomizing the global structure of the pruned NN loss landscape. Our model reveals that the dichotomous effect of high temperature is associated with transitions between distinct types of global structures in the post-pruned model. Based on our results, we present three case-studies: 1) determining whether to increase or decrease a hyperparameter for improved pruning; 2) selecting the best model to prune from a family of models; and 3) tuning the hyperparameter of the Sharpness Aware Minimization method for better pruning performance.

Automatic analysis of the enormous sets of images is a critical task in life sciences. This faces many challenges such as: algorithms are highly parameterized, significant human input is intertwined, and lacking a standard meta-visualization approach. This paper proposes an alternative iterative approach for optimizing input parameters, saving time by minimizing the user involvement, and allowing for understanding the workflow of algorithms and discovering new ones. The main focus is on developing an interactive visualization technique that enables users to analyze the relationships between sampled input parameters and corresponding output. This technique is implemented as a prototype called Veni Vidi Vici, or "I came, I saw, I conquered." This strategy is inspired by the mathematical formulas of numbering computable functions and is developed atop ImageJ, a scientific image processing program. A case study is presented to investigate the proposed framework. Finally, the paper explores some potential future issues in the application of the proposed approach in parameter space analysis in visualization.

Learning causal structure from observational data often assumes that we observe independent and identically distributed (i.\,i.\,d) data. The traditional approach aims to find a graphical representation that encodes the same set of conditional independence relationships as those present in the observed distribution. It is known that under i.\,i.\,d assumption, even with infinite data, there is a limit to how fine-grained a causal structure we can identify. To overcome this limitation, recent work has explored using data originating from different, related environments to learn richer causal structure. These approaches implicitly rely on the independent causal mechanisms (ICM) principle, which postulates that the mechanism giving rise to an effect given its causes and the mechanism which generates the causes do not inform or influence each other. Thus, components of the causal model can independently change from environment to environment. Despite its wide application in machine learning and causal inference, there is a lack of statistical formalization of the ICM principle and how it enables identification of richer causal structures from grouped data. Here we present new causal de Finetti theorems which offer a first statistical formalization of ICM principle and show how causal structure identification is possible from exchangeable data. Our work provides theoretical justification for a broad range of techniques leveraging multi-environment data to learn causal structure.

Discovering the underlying relationships among variables from temporal observations has been a longstanding challenge in numerous scientific disciplines, including biology, finance, and climate science. The dynamics of such systems are often best described using continuous-time stochastic processes. Unfortunately, most existing structure learning approaches assume that the underlying process evolves in discrete-time and/or observations occur at regular time intervals. These mismatched assumptions can often lead to incorrect learned structures and models. In this work, we introduce a novel structure learning method, SCOTCH, which combines neural stochastic differential equations (SDE) with variational inference to infer a posterior distribution over possible structures. This continuous-time approach can naturally handle both learning from and predicting observations at arbitrary time points. Theoretically, we establish sufficient conditions for an SDE and SCOTCH to be structurally identifiable, and prove its consistency under infinite data limits. Empirically, we demonstrate that our approach leads to improved structure learning performance on both synthetic and real-world datasets compared to relevant baselines under regular and irregular sampling intervals.

The ability to computationally generate novel yet physically foldable protein structures could lead to new biological discoveries and new treatments targeting yet incurable diseases. Despite recent advances in protein structure prediction, directly generating diverse, novel protein structures from neural networks remains difficult. In this work, we present a new diffusion-based generative model that designs protein backbone structures via a procedure that mirrors the native folding process. We describe protein backbone structure as a series of consecutive angles capturing the relative orientation of the constituent amino acid residues, and generate new structures by denoising from a random, unfolded state towards a stable folded structure. Not only does this mirror how proteins biologically twist into energetically favorable conformations, the inherent shift and rotational invariance of this representation crucially alleviates the need for complex equivariant networks. We train a denoising diffusion probabilistic model with a simple transformer backbone and demonstrate that our resulting model unconditionally generates highly realistic protein structures with complexity and structural patterns akin to those of naturally-occurring proteins. As a useful resource, we release the first open-source codebase and trained models for protein structure diffusion.

We propose algorithms for approximate filtering and smoothing in high-dimensional Factorial hidden Markov models. The approximation involves discarding, in a principled way, likelihood factors according to a notion of locality in a factor graph associated with the emission distribution. This allows the exponential-in-dimension cost of exact filtering and smoothing to be avoided. We prove that the approximation accuracy, measured in a local total variation norm, is "dimension-free" in the sense that as the overall dimension of the model increases the error bounds we derive do not necessarily degrade. A key step in the analysis is to quantify the error introduced by localizing the likelihood function in a Bayes' rule update. The factorial structure of the likelihood function which we exploit arises naturally when data have known spatial or network structure. We demonstrate the new algorithms on synthetic examples and a London Underground passenger flow problem, where the factor graph is effectively given by the train network.

This paper introduces a new parameterization of deep neural networks (both fully-connected and convolutional) with guaranteed ell^2 Lipschitz bounds, i.e. limited sensitivity to input perturbations. The Lipschitz guarantees are equivalent to the tightest-known bounds based on certification via a semidefinite program (SDP). We provide a ``direct'' parameterization, i.e., a smooth mapping from mathbb R^N onto the set of weights satisfying the SDP-based bound. Moreover, our parameterization is complete, i.e. a neural network satisfies the SDP bound if and only if it can be represented via our parameterization. This enables training using standard gradient methods, without any inner approximation or computationally intensive tasks (e.g. projections or barrier terms) for the SDP constraint. The new parameterization can equivalently be thought of as either a new layer type (the sandwich layer), or a novel parameterization of standard feedforward networks with parameter sharing between neighbouring layers. A comprehensive set of experiments on image classification shows that sandwich layers outperform previous approaches on both empirical and certified robust accuracy. Code is available at https://github.com/acfr/LBDN.

A supervised learning algorithm searches over a set of functions A to B parametrised by a space P to find the best approximation to some ideal function fcolon A to B. It does this by taking examples (a,f(a)) in Atimes B, and updating the parameter according to some rule. We define a category where these update rules may be composed, and show that gradient descent---with respect to a fixed step size and an error function satisfying a certain property---defines a monoidal functor from a category of parametrised functions to this category of update rules. This provides a structural perspective on backpropagation, as well as a broad generalisation of neural networks.

We present Manifold Diffusion Fields (MDF), an approach to learn generative models of continuous functions defined over Riemannian manifolds. Leveraging insights from spectral geometry analysis, we define an intrinsic coordinate system on the manifold via the eigen-functions of the Laplace-Beltrami Operator. MDF represents functions using an explicit parametrization formed by a set of multiple input-output pairs. Our approach allows to sample continuous functions on manifolds and is invariant with respect to rigid and isometric transformations of the manifold. Empirical results on several datasets and manifolds show that MDF can capture distributions of such functions with better diversity and fidelity than previous approaches.

We consider a biological population whose environment varies periodically in time, exhibiting two very different "seasons" : one is favorable and the other one is unfavorable. For monotone differential models with concave nonlinearities, we address the following question: the system's period being fixed, under what conditions does there exist a critical duration for the unfavorable season? By "critical duration" we mean that above some threshold, the population cannot sustain and extincts, while below this threshold, the system converges to a unique periodic and positive solution. We term this a "sharp seasonal threshold property" (SSTP, for short). Building upon a previous result, we obtain sufficient conditions for SSTP in any dimension and apply our criterion to a two-dimensional model featuring juvenile and adult populations of insects.

Sparse autoencoders have recently produced dictionaries of high-dimensional vectors corresponding to the universe of concepts represented by large language models. We find that this concept universe has interesting structure at three levels: 1) The "atomic" small-scale structure contains "crystals" whose faces are parallelograms or trapezoids, generalizing well-known examples such as (man-woman-king-queen). We find that the quality of such parallelograms and associated function vectors improves greatly when projecting out global distractor directions such as word length, which is efficiently done with linear discriminant analysis. 2) The "brain" intermediate-scale structure has significant spatial modularity; for example, math and code features form a "lobe" akin to functional lobes seen in neural fMRI images. We quantify the spatial locality of these lobes with multiple metrics and find that clusters of co-occurring features, at coarse enough scale, also cluster together spatially far more than one would expect if feature geometry were random. 3) The "galaxy" scale large-scale structure of the feature point cloud is not isotropic, but instead has a power law of eigenvalues with steepest slope in middle layers. We also quantify how the clustering entropy depends on the layer.

Recent advancements in fine-tuning Vision-Language Foundation Models (VLMs) have garnered significant attention for their effectiveness in downstream few-shot learning tasks.While these recent approaches exhibits some performance improvements, they often suffer from excessive training parameters and high computational costs. To address these challenges, we propose a novel Block matrix-based low-rank adaptation framework, called Block-LoRA, for fine-tuning VLMs on downstream few-shot tasks. Inspired by recent work on Low-Rank Adaptation (LoRA), Block-LoRA partitions the original low-rank decomposition matrix of LoRA into a series of sub-matrices while sharing all down-projection sub-matrices. This structure not only reduces the number of training parameters, but also transforms certain complex matrix multiplication operations into simpler matrix addition, significantly lowering the computational cost of fine-tuning. Notably, Block-LoRA enables fine-tuning CLIP on the ImageNet few-shot benchmark using a single 24GB GPU. We also show that Block-LoRA has the more tighter bound of generalization error than vanilla LoRA. Without bells and whistles, extensive experiments demonstrate that Block-LoRA achieves competitive performance compared to state-of-the-art CLIP-based few-shot methods, while maintaining a low training parameters count and reduced computational overhead.

Mechanistic Interpretability aims to reverse engineer the algorithms implemented by neural networks by studying their weights and activations. An obstacle to reverse engineering neural networks is that many of the parameters inside a network are not involved in the computation being implemented by the network. These degenerate parameters may obfuscate internal structure. Singular learning theory teaches us that neural network parameterizations are biased towards being more degenerate, and parameterizations with more degeneracy are likely to generalize further. We identify 3 ways that network parameters can be degenerate: linear dependence between activations in a layer; linear dependence between gradients passed back to a layer; ReLUs which fire on the same subset of datapoints. We also present a heuristic argument that modular networks are likely to be more degenerate, and we develop a metric for identifying modules in a network that is based on this argument. We propose that if we can represent a neural network in a way that is invariant to reparameterizations that exploit the degeneracies, then this representation is likely to be more interpretable, and we provide some evidence that such a representation is likely to have sparser interactions. We introduce the Interaction Basis, a tractable technique to obtain a representation that is invariant to degeneracies from linear dependence of activations or Jacobians.

Designing nanophotonic structures traditionally grapples with the complexities of discrete parameters, such as real materials, often resorting to costly global optimization methods. This paper introduces an approach that leverages generative deep learning to map discrete parameter sets into a continuous latent space, enabling direct gradient-based optimization. For scenarios with non-differentiable physics evaluation functions, a neural network is employed as a differentiable surrogate model. The efficacy of this methodology is demonstrated by optimizing the directional scattering properties of core-shell nanoparticles composed of a selection of realistic materials. We derive suggestions for core-shell geometries with strong forward scattering and minimized backscattering. Our findings reveal significant improvements in computational efficiency and performance when compared to global optimization techniques. Beyond nanophotonics design problems, this framework holds promise for broad applications across all types of inverse problems constrained by discrete variables.

Global climate models typically operate at a grid resolution of hundreds of kilometers and fail to resolve atmospheric mesoscale processes, e.g., clouds, precipitation, and gravity waves (GWs). Model representation of these processes and their sources is essential to the global circulation and planetary energy budget, but subgrid scale contributions from these processes are often only approximately represented in models using parameterizations. These parameterizations are subject to approximations and idealizations, which limit their capability and accuracy. The most drastic of these approximations is the "single-column approximation" which completely neglects the horizontal evolution of these processes, resulting in key biases in current climate models. With a focus on atmospheric GWs, we present the first-ever global simulation of atmospheric GW fluxes using machine learning (ML) models trained on the WINDSET dataset to emulate global GW emulation in the atmosphere, as an alternative to traditional single-column parameterizations. Using an Attention U-Net-based architecture trained on globally resolved GW momentum fluxes, we illustrate the importance and effectiveness of global nonlocality, when simulating GWs using data-driven schemes.

[This paper was initially published in PHME conference in 2016, selected for further publication in International Journal of Prognostics and Health Management.] This paper describes an Autoregressive Partially-hidden Markov model (ARPHMM) for fault detection and prognostics of equipments based on sensors' data. It is a particular dynamic Bayesian network that allows to represent the dynamics of a system by means of a Hidden Markov Model (HMM) and an autoregressive (AR) process. The Markov chain assumes that the system is switching back and forth between internal states while the AR process ensures a temporal coherence on sensor measurements. A sound learning procedure of standard ARHMM based on maximum likelihood allows to iteratively estimate all parameters simultaneously. This paper suggests a modification of the learning procedure considering that one may have prior knowledge about the structure which becomes partially hidden. The integration of the prior is based on the Theory of Weighted Distributions which is compatible with the Expectation-Maximization algorithm in the sense that the convergence properties are still satisfied. We show how to apply this model to estimate the remaining useful life based on health indicators. The autoregressive parameters can indeed be used for prediction while the latent structure can be used to get information about the degradation level. The interest of the proposed method for prognostics and health assessment is demonstrated on CMAPSS datasets.

Boundary point detection aims to outline the external contour structure of clusters and enhance the inter-cluster discrimination, thus bolstering the performance of the downstream classification and clustering tasks. However, existing boundary point detectors are sensitive to density heterogeneity or cannot identify boundary points in concave structures and high-dimensional manifolds. In this work, we propose a robust and efficient boundary point detection method based on Local Direction Dispersion (LoDD). The core of boundary point detection lies in measuring the difference between boundary points and internal points. It is a common observation that an internal point is surrounded by its neighbors in all directions, while the neighbors of a boundary point tend to be distributed only in a certain directional range. By considering this observation, we adopt density-independent K-Nearest Neighbors (KNN) method to determine neighboring points and design a centrality metric LoDD using the eigenvalues of the covariance matrix to depict the distribution uniformity of KNN. We also develop a grid-structure assumption of data distribution to determine the parameters adaptively. The effectiveness of LoDD is demonstrated on synthetic datasets, real-world benchmarks, and application of training set split for deep learning model and hole detection on point cloud data. The datasets and toolkit are available at: https://github.com/ZPGuiGroupWhu/lodd.

Markov Decision Processes (MDPs) are a formal framework for modeling and solving sequential decision-making problems. In finite-time horizons such problems are relevant for instance for optimal stopping or specific supply chain problems, but also in the training of large language models. In contrast to infinite horizon MDPs optimal policies are not stationary, policies must be learned for every single epoch. In practice all parameters are often trained simultaneously, ignoring the inherent structure suggested by dynamic programming. This paper introduces a combination of dynamic programming and policy gradient called dynamic policy gradient, where the parameters are trained backwards in time. For the tabular softmax parametrisation we carry out the convergence analysis for simultaneous and dynamic policy gradient towards global optima, both in the exact and sampled gradient settings without regularisation. It turns out that the use of dynamic policy gradient training much better exploits the structure of finite-time problems which is reflected in improved convergence bounds.

As the cost associated with fine-tuning Large Language Models (LLMs) continues to rise, recent research efforts have pivoted towards developing methodologies to edit implicit knowledge embedded within LLMs. Yet, there's still a dark cloud lingering overhead -- will knowledge editing trigger butterfly effect? since it is still unclear whether knowledge editing might introduce side effects that pose potential risks or not. This paper pioneers the investigation into the potential pitfalls associated with knowledge editing for LLMs. To achieve this, we introduce new benchmark datasets and propose innovative evaluation metrics. Our results underline two pivotal concerns: (1) Knowledge Conflict: Editing groups of facts that logically clash can magnify the inherent inconsistencies in LLMs-a facet neglected by previous methods. (2) Knowledge Distortion: Altering parameters with the aim of editing factual knowledge can irrevocably warp the innate knowledge structure of LLMs. Experimental results vividly demonstrate that knowledge editing might inadvertently cast a shadow of unintended consequences on LLMs, which warrant attention and efforts for future works. Code and data are available at https://github.com/zjunlp/PitfallsKnowledgeEditing.

Recently, the study of linear misspecified bandits has generated intriguing implications of the hardness of learning in bandits and reinforcement learning (RL). In particular, Du et al. (2020) show that even if a learner is given linear features in R^d that approximate the rewards in a bandit or RL with a uniform error of varepsilon, searching for an O(varepsilon)-optimal action requires pulling at least Omega(exp(d)) queries. Furthermore, Lattimore et al. (2020) show that a degraded O(varepsilond)-optimal solution can be learned within poly(d/varepsilon) queries. Yet it is unknown whether a structural assumption on the ground-truth parameter, such as sparsity, could break the varepsilond barrier. In this paper, we address this question by showing that algorithms can obtain O(varepsilon)-optimal actions by querying O(varepsilon^{-s}d^s) actions, where s is the sparsity parameter, removing the exp(d)-dependence. We then establish information-theoretical lower bounds, i.e., Omega(exp(s)), to show that our upper bound on sample complexity is nearly tight if one demands an error O(s^{delta}varepsilon) for 0<delta<1. For deltageq 1, we further show that poly(s/varepsilon) queries are possible when the linear features are "good" and even in general settings. These results provide a nearly complete picture of how sparsity can help in misspecified bandit learning and provide a deeper understanding of when linear features are "useful" for bandit and reinforcement learning with misspecification.

Model editing aims to efficiently alter the behavior of Large Language Models (LLMs) within a desired scope, while ensuring no adverse impact on other inputs. Recent years have witnessed various model editing methods been proposed. However, these methods either exhibit poor overall performance or struggle to strike a balance between generalization and locality. We propose MEMoE, a model editing adapter utilizing a Mixture of Experts (MoE) architecture with a knowledge anchor routing strategy. MEMoE updates knowledge using a bypass MoE structure, keeping the original parameters unchanged to preserve the general ability of LLMs. And, the knowledge anchor routing ensures that inputs requiring similar knowledge are routed to the same expert, thereby enhancing the generalization of the updated knowledge. Experimental results show the superiority of our approach over both batch editing and sequential batch editing tasks, exhibiting exceptional overall performance alongside outstanding balance between generalization and locality. Our code will be available.

Convolutional models have been widely used in multiple domains. However, most existing models only use local convolution, making the model unable to handle long-range dependency efficiently. Attention overcomes this problem by aggregating global information but also makes the computational complexity quadratic to the sequence length. Recently, Gu et al. [2021] proposed a model called S4 inspired by the state space model. S4 can be efficiently implemented as a global convolutional model whose kernel size equals the input sequence length. S4 can model much longer sequences than Transformers and achieve significant gains over SoTA on several long-range tasks. Despite its empirical success, S4 is involved. It requires sophisticated parameterization and initialization schemes. As a result, S4 is less intuitive and hard to use. Here we aim to demystify S4 and extract basic principles that contribute to the success of S4 as a global convolutional model. We focus on the structure of the convolution kernel and identify two critical but intuitive principles enjoyed by S4 that are sufficient to make up an effective global convolutional model: 1) The parameterization of the convolutional kernel needs to be efficient in the sense that the number of parameters should scale sub-linearly with sequence length. 2) The kernel needs to satisfy a decaying structure that the weights for convolving with closer neighbors are larger than the more distant ones. Based on the two principles, we propose a simple yet effective convolutional model called Structured Global Convolution (SGConv). SGConv exhibits strong empirical performance over several tasks: 1) With faster speed, SGConv surpasses S4 on Long Range Arena and Speech Command datasets. 2) When plugging SGConv into standard language and vision models, it shows the potential to improve both efficiency and performance.

For sequence models with large vocabularies, a majority of network parameters lie in the input and output layers. In this work, we describe a new method, DeFINE, for learning deep token representations efficiently. Our architecture uses a hierarchical structure with novel skip-connections which allows for the use of low dimensional input and output layers, reducing total parameters and training time while delivering similar or better performance versus existing methods. DeFINE can be incorporated easily in new or existing sequence models. Compared to state-of-the-art methods including adaptive input representations, this technique results in a 6% to 20% drop in perplexity. On WikiText-103, DeFINE reduces the total parameters of Transformer-XL by half with minimal impact on performance. On the Penn Treebank, DeFINE improves AWD-LSTM by 4 points with a 17% reduction in parameters, achieving comparable performance to state-of-the-art methods with fewer parameters. For machine translation, DeFINE improves the efficiency of the Transformer model by about 1.4 times while delivering similar performance.

Since the pioneering work on the lottery ticket hypothesis for graph neural networks (GNNs) was proposed in Chen et al. (2021), the study on finding graph lottery tickets (GLT) has become one of the pivotal focus in the GNN community, inspiring researchers to discover sparser GLT while achieving comparable performance to original dense networks. In parallel, the graph structure has gained substantial attention as a crucial factor in GNN training dynamics, also elucidated by several recent studies. Despite this, contemporary studies on GLT, in general, have not fully exploited inherent pathways in the graph structure and identified tickets in an iterative manner, which is time-consuming and inefficient. To address these limitations, we introduce TEDDY, a one-shot edge sparsification framework that leverages structural information by incorporating edge-degree information. Following edge sparsification, we encourage the parameter sparsity during training via simple projected gradient descent on the ell_0 ball. Given the target sparsity levels for both the graph structure and the model parameters, our TEDDY facilitates efficient and rapid realization of GLT within a single training. Remarkably, our experimental results demonstrate that TEDDY significantly surpasses conventional iterative approaches in generalization, even when conducting one-shot sparsification that solely utilizes graph structures, without taking feature information into account.

Multi-task robot learning holds significant importance in tackling diverse and complex scenarios. However, current approaches are hindered by performance issues and difficulties in collecting training datasets. In this paper, we propose GeRM (Generalist Robotic Model). We utilize offline reinforcement learning to optimize data utilization strategies to learn from both demonstrations and sub-optimal data, thus surpassing the limitations of human demonstrations. Thereafter, we employ a transformer-based VLA network to process multi-modal inputs and output actions. By introducing the Mixture-of-Experts structure, GeRM allows faster inference speed with higher whole model capacity, and thus resolves the issue of limited RL parameters, enhancing model performance in multi-task learning while controlling computational costs. Through a series of experiments, we demonstrate that GeRM outperforms other methods across all tasks, while also validating its efficiency in both training and inference processes. Additionally, we uncover its potential to acquire emergent skills. Additionally, we contribute the QUARD-Auto dataset, collected automatically to support our training approach and foster advancements in multi-task quadruped robot learning. This work presents a new paradigm for reducing the cost of collecting robot data and driving progress in the multi-task learning community.

Modern large language models (LLMs) driven by scaling laws, achieve intelligence emergency in large model sizes. Recently, the increasing concerns about cloud costs, latency, and privacy make it an urgent requirement to develop compact edge language models. Distinguished from direct pretraining that bounded by the scaling law, this work proposes the pruning-aware pretraining, focusing on retaining performance of much larger optimized models. It features following characteristics: 1) Data-scalable: we introduce minimal parameter groups in LLM and continuously optimize structural pruning, extending post-training pruning methods like LLM-Pruner and SparseGPT into the pretraining phase. 2) Architecture-agnostic: the LLM architecture is auto-designed using saliency-driven pruning, which is the first time to exceed SoTA human-designed LLMs in modern pretraining. We reveal that it achieves top-quality edge language models, termed EfficientLLM, by scaling up LLM compression and extending its boundary. EfficientLLM significantly outperforms SoTA baselines with 100M sim 1B parameters, such as MobileLLM, SmolLM, Qwen2.5-0.5B, OLMo-1B, Llama3.2-1B in common sense benchmarks. As the first attempt, EfficientLLM bridges the performance gap between traditional LLM compression and direct pretraining methods, and we will fully open source at https://github.com/Xingrun-Xing2/EfficientLLM.

Although Kolmogorov-Arnold based interpretable networks (KAN) have strong theoretical expressiveness, they face significant parameter explosion and high-frequency feature capture challenges in high-dimensional tasks. To address this issue, we propose the Kolmogorov-Arnold-Fourier Network (KAF), which effectively integrates trainable Random Fourier Features (RFF) and a novel hybrid GELU-Fourier activation mechanism to balance parameter efficiency and spectral representation capabilities. Our key technical contributions include: (1) merging KAN's dual-matrix structure through matrix association properties to substantially reduce parameters; (2) introducing learnable RFF initialization strategies to eliminate spectral distortion in high-dimensional approximation tasks; (3) implementing an adaptive hybrid activation function that progressively enhances frequency representation during the training process. Comprehensive experiments demonstrate the superiority of our KAF across various domains including vision, NLP, audio processing, and differential equation-solving tasks, effectively combining theoretical interpretability with practical utility and computational efficiency.

Reconstructing and understanding 3D structures from a limited number of images is a well-established problem in computer vision. Traditional methods usually break this task into multiple subtasks, each requiring complex transformations between different data representations. For instance, dense reconstruction through Structure-from-Motion (SfM) involves converting images into key points, optimizing camera parameters, and estimating structures. Afterward, accurate sparse reconstructions are required for further dense modeling, which is subsequently fed into task-specific neural networks. This multi-step process results in considerable processing time and increased engineering complexity. In this work, we present the Large Spatial Model (LSM), which processes unposed RGB images directly into semantic radiance fields. LSM simultaneously estimates geometry, appearance, and semantics in a single feed-forward operation, and it can generate versatile label maps by interacting with language at novel viewpoints. Leveraging a Transformer-based architecture, LSM integrates global geometry through pixel-aligned point maps. To enhance spatial attribute regression, we incorporate local context aggregation with multi-scale fusion, improving the accuracy of fine local details. To tackle the scarcity of labeled 3D semantic data and enable natural language-driven scene manipulation, we incorporate a pre-trained 2D language-based segmentation model into a 3D-consistent semantic feature field. An efficient decoder then parameterizes a set of semantic anisotropic Gaussians, facilitating supervised end-to-end learning. Extensive experiments across various tasks show that LSM unifies multiple 3D vision tasks directly from unposed images, achieving real-time semantic 3D reconstruction for the first time.

In this work, the human parsing task, namely decomposing a human image into semantic fashion/body regions, is formulated as an Active Template Regression (ATR) problem, where the normalized mask of each fashion/body item is expressed as the linear combination of the learned mask templates, and then morphed to a more precise mask with the active shape parameters, including position, scale and visibility of each semantic region. The mask template coefficients and the active shape parameters together can generate the human parsing results, and are thus called the structure outputs for human parsing. The deep Convolutional Neural Network (CNN) is utilized to build the end-to-end relation between the input human image and the structure outputs for human parsing. More specifically, the structure outputs are predicted by two separate networks. The first CNN network is with max-pooling, and designed to predict the template coefficients for each label mask, while the second CNN network is without max-pooling to preserve sensitivity to label mask position and accurately predict the active shape parameters. For a new image, the structure outputs of the two networks are fused to generate the probability of each label for each pixel, and super-pixel smoothing is finally used to refine the human parsing result. Comprehensive evaluations on a large dataset well demonstrate the significant superiority of the ATR framework over other state-of-the-arts for human parsing. In particular, the F1-score reaches 64.38% by our ATR framework, significantly higher than 44.76% based on the state-of-the-art algorithm.

Large language models (LLMs) have demonstrated enhanced performance through the Thinking then Responding paradigm, where models generate internal thoughts before final responses (aka, System 2 thinking). However, existing research lacks a systematic understanding of the mechanisms underlying how thinking patterns affect performance across model sizes. In this work, we conduct a comprehensive analysis of the impact of various thinking types on model performance and introduce ThinkPatterns-21k, a curated dataset comprising 21k instruction-response pairs (QA) collected from existing instruction-following datasets with five thinking types. For each pair, we augment it with five distinct internal thinking patterns: one unstructured thinking (monologue) and four structured variants (decomposition, self-ask, self-debate and self-critic), while maintaining the same instruction and response. Through extensive evaluation across different model sizes (3B-32B parameters), we have two key findings: (1) smaller models (<30B parameters) can benefit from most of structured thinking patterns, while larger models (32B) with structured thinking like decomposition would degrade performance and (2) unstructured monologue demonstrates broad effectiveness across different model sizes. Finally, we released all of our datasets, checkpoints, training logs of diverse thinking patterns to reproducibility, aiming to facilitate further research in this direction.

Kolmogorov-Arnold Networks (KANs) have inspired numerous works exploring their applications across a wide range of scientific problems, with the potential to replace Multilayer Perceptrons (MLPs). While many KANs are designed using basis and polynomial functions, such as B-splines, ReLU-KAN utilizes a combination of ReLU functions to mimic the structure of B-splines and take advantage of ReLU's speed. However, ReLU-KAN is not built for multiple inputs, and its limitations stem from ReLU's handling of negative values, which can restrict feature extraction. To address these issues, we introduce Activation Function-Based Kolmogorov-Arnold Networks (AF-KAN), expanding ReLU-KAN with various activations and their function combinations. This novel KAN also incorporates parameter reduction methods, primarily attention mechanisms and data normalization, to enhance performance on image classification datasets. We explore different activation functions, function combinations, grid sizes, and spline orders to validate the effectiveness of AF-KAN and determine its optimal configuration. In the experiments, AF-KAN significantly outperforms MLP, ReLU-KAN, and other KANs with the same parameter count. It also remains competitive even when using fewer than 6 to 10 times the parameters while maintaining the same network structure. However, AF-KAN requires a longer training time and consumes more FLOPs. The repository for this work is available at https://github.com/hoangthangta/All-KAN.

The recent advancements in deep learning have brought about significant changes in various aspects of people's lives. Meanwhile, these rapid developments have raised concerns about the legitimacy of the training process of deep neural networks. To protect the intellectual properties of AI developers, directly examining the training process by accessing the model parameters and training data is often prohibited for verifiers. In response to this challenge, we present zero-knowledge deep learning (zkDL), an efficient zero-knowledge proof for deep learning training. To address the long-standing challenge of verifiable computations of non-linearities in deep learning training, we introduce zkReLU, a specialized proof for the ReLU activation and its backpropagation. zkReLU turns the disadvantage of non-arithmetic relations into an advantage, leading to the creation of FAC4DNN, our specialized arithmetic circuit design for modelling neural networks. This design aggregates the proofs over different layers and training steps, without being constrained by their sequential order in the training process. With our new CUDA implementation that achieves full compatibility with the tensor structures and the aggregated proof design, zkDL enables the generation of complete and sound proofs in less than a second per batch update for an 8-layer neural network with 10M parameters and a batch size of 64, while provably ensuring the privacy of data and model parameters. To our best knowledge, we are not aware of any existing work on zero-knowledge proof of deep learning training that is scalable to million-size networks.

Structured pruning is a commonly used technique in deploying deep neural networks (DNNs) onto resource-constrained devices. However, the existing pruning methods are usually heuristic, task-specified, and require an extra fine-tuning procedure. To overcome these limitations, we propose a framework that compresses DNNs into slimmer architectures with competitive performances and significant FLOPs reductions by Only-Train-Once (OTO). OTO contains two keys: (i) we partition the parameters of DNNs into zero-invariant groups, enabling us to prune zero groups without affecting the output; and (ii) to promote zero groups, we then formulate a structured-sparsity optimization problem and propose a novel optimization algorithm, Half-Space Stochastic Projected Gradient (HSPG), to solve it, which outperforms the standard proximal methods on group sparsity exploration and maintains comparable convergence. To demonstrate the effectiveness of OTO, we train and compress full models simultaneously from scratch without fine-tuning for inference speedup and parameter reduction, and achieve state-of-the-art results on VGG16 for CIFAR10, ResNet50 for CIFAR10 and Bert for SQuAD and competitive result on ResNet50 for ImageNet. The source code is available at https://github.com/tianyic/only_train_once.

Lane detection, the process of identifying lane markings as approximated curves, is widely used for lane departure warning and adaptive cruise control in autonomous vehicles. The popular pipeline that solves it in two steps -- feature extraction plus post-processing, while useful, is too inefficient and flawed in learning the global context and lanes' long and thin structures. To tackle these issues, we propose an end-to-end method that directly outputs parameters of a lane shape model, using a network built with a transformer to learn richer structures and context. The lane shape model is formulated based on road structures and camera pose, providing physical interpretation for parameters of network output. The transformer models non-local interactions with a self-attention mechanism to capture slender structures and global context. The proposed method is validated on the TuSimple benchmark and shows state-of-the-art accuracy with the most lightweight model size and fastest speed. Additionally, our method shows excellent adaptability to a challenging self-collected lane detection dataset, showing its powerful deployment potential in real applications. Codes are available at https://github.com/liuruijin17/LSTR.

Stable Diffusion XL (SDXL) has become the best open source text-to-image model (T2I) for its versatility and top-notch image quality. Efficiently addressing the computational demands of SDXL models is crucial for wider reach and applicability. In this work, we introduce two scaled-down variants, Segmind Stable Diffusion (SSD-1B) and Segmind-Vega, with 1.3B and 0.74B parameter UNets, respectively, achieved through progressive removal using layer-level losses focusing on reducing the model size while preserving generative quality. We release these models weights at https://hf.co/Segmind. Our methodology involves the elimination of residual networks and transformer blocks from the U-Net structure of SDXL, resulting in significant reductions in parameters, and latency. Our compact models effectively emulate the original SDXL by capitalizing on transferred knowledge, achieving competitive results against larger multi-billion parameter SDXL. Our work underscores the efficacy of knowledge distillation coupled with layer-level losses in reducing model size while preserving the high-quality generative capabilities of SDXL, thus facilitating more accessible deployment in resource-constrained environments.

Synthesizing NeRFs under arbitrary lighting has become a seminal problem in the last few years. Recent efforts tackle the problem via the extraction of physically-based parameters that can then be rendered under arbitrary lighting, but they are limited in the range of scenes they can handle, usually mishandling glossy scenes. We propose RRM, a method that can extract the materials, geometry, and environment lighting of a scene even in the presence of highly reflective objects. Our method consists of a physically-aware radiance field representation that informs physically-based parameters, and an expressive environment light structure based on a Laplacian Pyramid. We demonstrate that our contributions outperform the state-of-the-art on parameter retrieval tasks, leading to high-fidelity relighting and novel view synthesis on surfacic scenes.

While Convolutional Neural Networks (CNNs) have long been investigated and applied, as well as theorized, we aim to provide a slightly different perspective into their nature -- through the perspective of their Hessian maps. The reason is that the loss Hessian captures the pairwise interaction of parameters and therefore forms a natural ground to probe how the architectural aspects of CNN get manifested in its structure and properties. We develop a framework relying on Toeplitz representation of CNNs, and then utilize it to reveal the Hessian structure and, in particular, its rank. We prove tight upper bounds (with linear activations), which closely follow the empirical trend of the Hessian rank and hold in practice in more general settings. Overall, our work generalizes and establishes the key insight that, even in CNNs, the Hessian rank grows as the square root of the number of parameters.

The transformer extends its success from the language to the vision domain. Because of the stacked self-attention and cross-attention blocks, the acceleration deployment of vision transformer on GPU hardware is challenging and also rarely studied. This paper thoroughly designs a compression scheme to maximally utilize the GPU-friendly 2:4 fine-grained structured sparsity and quantization. Specially, an original large model with dense weight parameters is first pruned into a sparse one by 2:4 structured pruning, which considers the GPU's acceleration of 2:4 structured sparse pattern with FP16 data type, then the floating-point sparse model is further quantized into a fixed-point one by sparse-distillation-aware quantization aware training, which considers GPU can provide an extra speedup of 2:4 sparse calculation with integer tensors. A mixed-strategy knowledge distillation is used during the pruning and quantization process. The proposed compression scheme is flexible to support supervised and unsupervised learning styles. Experiment results show GPUSQ-ViT scheme achieves state-of-the-art compression by reducing vision transformer models 6.4-12.7 times on model size and 30.3-62 times on FLOPs with negligible accuracy degradation on ImageNet classification, COCO detection and ADE20K segmentation benchmarking tasks. Moreover, GPUSQ-ViT can boost actual deployment performance by 1.39-1.79 times and 3.22-3.43 times of latency and throughput on A100 GPU, and 1.57-1.69 times and 2.11-2.51 times improvement of latency and throughput on AGX Orin.

Neural network pruning serves as a critical technique for enhancing the efficiency of deep learning models. Unlike unstructured pruning, which only sets specific parameters to zero, structured pruning eliminates entire channels, thus yielding direct computational and storage benefits. However, the diverse patterns for coupling parameters, such as residual connections and group convolutions, the diverse deep learning frameworks, and the various time stages at which pruning can be performed make existing pruning methods less adaptable to different architectures, frameworks, and pruning criteria. To address this, we introduce Structurally Prune Anything (SPA), a versatile structured pruning framework that can prune neural networks with any architecture, from any framework, and at any stage of training. SPA leverages a standardized computational graph and ONNX representation to prune diverse neural network architectures without the need for manual intervention. SPA employs a group-level importance estimation method, which groups dependent computational operators, estimates their importance, and prunes unimportant coupled channels. This enables the transfer of various existing pruning criteria into a structured group style. As a result, SPA supports pruning at any time, either before training, after training with fine-tuning, or after training without fine-tuning. In the context of the latter, we introduce Optimal Brain SPA (OBSPA), an algorithm that achieves state-of-the-art pruning results needing neither fine-tuning nor calibration data. In extensive experiments, SPA shows competitive to state-of-the-art pruning performance across various architectures, from popular frameworks, at different pruning times.

Many clustering schemes are defined by optimizing an objective function defined on the partitions of the underlying set of a finite metric space. In this paper, we construct a framework for studying what happens when we instead impose various structural conditions on the clustering schemes, under the general heading of functoriality. Functoriality refers to the idea that one should be able to compare the results of clustering algorithms as one varies the data set, for example by adding points or by applying functions to it. We show that within this framework, one can prove a theorems analogous to one of J. Kleinberg, in which for example one obtains an existence and uniqueness theorem instead of a non-existence result. We obtain a full classification of all clustering schemes satisfying a condition we refer to as excisiveness. The classification can be changed by varying the notion of maps of finite metric spaces. The conditions occur naturally when one considers clustering as the statistical version of the geometric notion of connected components. By varying the degree of functoriality that one requires from the schemes it is possible to construct richer families of clustering schemes that exhibit sensitivity to density.

While novel view synthesis (NVS) has made substantial progress in 3D computer vision, it typically requires an initial estimation of camera intrinsics and extrinsics from dense viewpoints. This pre-processing is usually conducted via a Structure-from-Motion (SfM) pipeline, a procedure that can be slow and unreliable, particularly in sparse-view scenarios with insufficient matched features for accurate reconstruction. In this work, we integrate the strengths of point-based representations (e.g., 3D Gaussian Splatting, 3D-GS) with end-to-end dense stereo models (DUSt3R) to tackle the complex yet unresolved issues in NVS under unconstrained settings, which encompasses pose-free and sparse view challenges. Our framework, InstantSplat, unifies dense stereo priors with 3D-GS to build 3D Gaussians of large-scale scenes from sparseview & pose-free images in less than 1 minute. Specifically, InstantSplat comprises a Coarse Geometric Initialization (CGI) module that swiftly establishes a preliminary scene structure and camera parameters across all training views, utilizing globally-aligned 3D point maps derived from a pre-trained dense stereo pipeline. This is followed by the Fast 3D-Gaussian Optimization (F-3DGO) module, which jointly optimizes the 3D Gaussian attributes and the initialized poses with pose regularization. Experiments conducted on the large-scale outdoor Tanks & Temples datasets demonstrate that InstantSplat significantly improves SSIM (by 32%) while concurrently reducing Absolute Trajectory Error (ATE) by 80%. These establish InstantSplat as a viable solution for scenarios involving posefree and sparse-view conditions. Project page: instantsplat.github.io.

State space models (SSMs) have shown remarkable empirical performance on many long sequence modeling tasks, but a theoretical understanding of these models is still lacking. In this work, we study the learning dynamics of linear SSMs to understand how covariance structure in data, latent state size, and initialization affect the evolution of parameters throughout learning with gradient descent. We show that focusing on the learning dynamics in the frequency domain affords analytical solutions under mild assumptions, and we establish a link between one-dimensional SSMs and the dynamics of deep linear feed-forward networks. Finally, we analyze how latent state over-parameterization affects convergence time and describe future work in extending our results to the study of deep SSMs with nonlinear connections. This work is a step toward a theory of learning dynamics in deep state space models.

Conversational search has been regarded as the next-generation search paradigm. Constrained by data scarcity, most existing methods distill the well-trained ad-hoc retriever to the conversational retriever. However, these methods, which usually initialize parameters by query reformulation to discover contextualized dependency, have trouble in understanding the dialogue structure information and struggle with contextual semantic vanishing. In this paper, we propose \fullmodel (\model) which is a new post-training paradigm with three self-supervised tasks to efficiently initialize the conversational search model to enhance the dialogue structure and contextual semantic understanding. Furthermore, the \model can be plugged into most of the existing conversational models to boost their performance. To verify the effectiveness of our proposed method, we apply the conversational encoder post-trained by \model on the conversational search task using two benchmark datasets: CAsT-19 and CAsT-20. Extensive experiments that our \model can boost the performance of several existing conversational search methods. Our source code is available at https://github.com/morecry/SSP.

Large language models with a huge number of parameters, when trained on near internet-sized number of tokens, have been empirically shown to obey neural scaling laws: specifically, their performance behaves predictably as a power law in either parameters or dataset size until bottlenecked by the other resource. To understand this better, we first identify the necessary properties allowing such scaling laws to arise and then propose a statistical model -- a joint generative data model and random feature model -- that captures this neural scaling phenomenology. By solving this model in the dual limit of large training set size and large number of parameters, we gain insight into (i) the statistical structure of datasets and tasks that lead to scaling laws, (ii) the way nonlinear feature maps, such as those provided by neural networks, enable scaling laws when trained on these datasets, (iii) the optimality of the equiparameterization scaling of training sets and parameters, and (iv) whether such scaling laws can break down and how they behave when they do. Key findings are the manner in which the power laws that occur in the statistics of natural datasets are extended by nonlinear random feature maps and then translated into power-law scalings of the test loss and how the finite extent of the data's spectral power law causes the model's performance to plateau.

Recent studies have revealed the vulnerability of Deep Neural Networks (DNNs) to adversarial examples, which can easily fool DNNs into making incorrect predictions. To mitigate this deficiency, we propose a novel adversarial defense method called "Immunity" (Innovative MoE with MUtual information \& positioN stabilITY) based on a modified Mixture-of-Experts (MoE) architecture in this work. The key enhancements to the standard MoE are two-fold: 1) integrating of Random Switch Gates (RSGs) to obtain diverse network structures via random permutation of RSG parameters at evaluation time, despite of RSGs being determined after one-time training; 2) devising innovative Mutual Information (MI)-based and Position Stability-based loss functions by capitalizing on Grad-CAM's explanatory power to increase the diversity and the causality of expert networks. Notably, our MI-based loss operates directly on the heatmaps, thereby inducing subtler negative impacts on the classification performance when compared to other losses of the same type, theoretically. Extensive evaluation validates the efficacy of the proposed approach in improving adversarial robustness against a wide range of attacks.

We consider dense, associative neural-networks trained by a teacher (i.e., with supervision) and we investigate their computational capabilities analytically, via statistical-mechanics of spin glasses, and numerically, via Monte Carlo simulations. In particular, we obtain a phase diagram summarizing their performance as a function of the control parameters such as quality and quantity of the training dataset, network storage and noise, that is valid in the limit of large network size and structureless datasets: these networks may work in a ultra-storage regime (where they can handle a huge amount of patterns, if compared with shallow neural networks) or in a ultra-detection regime (where they can perform pattern recognition at prohibitive signal-to-noise ratios, if compared with shallow neural networks). Guided by the random theory as a reference framework, we also test numerically learning, storing and retrieval capabilities shown by these networks on structured datasets as MNist and Fashion MNist. As technical remarks, from the analytic side, we implement large deviations and stability analysis within Guerra's interpolation to tackle the not-Gaussian distributions involved in the post-synaptic potentials while, from the computational counterpart, we insert Plefka approximation in the Monte Carlo scheme, to speed up the evaluation of the synaptic tensors, overall obtaining a novel and broad approach to investigate supervised learning in neural networks, beyond the shallow limit, in general.

We consider dense, associative neural-networks trained with no supervision and we investigate their computational capabilities analytically, via a statistical-mechanics approach, and numerically, via Monte Carlo simulations. In particular, we obtain a phase diagram summarizing their performance as a function of the control parameters such as the quality and quantity of the training dataset and the network storage, valid in the limit of large network size and structureless datasets. Moreover, we establish a bridge between macroscopic observables standardly used in statistical mechanics and loss functions typically used in the machine learning. As technical remarks, from the analytic side, we implement large deviations and stability analysis within Guerra's interpolation to tackle the not-Gaussian distributions involved in the post-synaptic potentials while, from the computational counterpart, we insert Plefka approximation in the Monte Carlo scheme, to speed up the evaluation of the synaptic tensors, overall obtaining a novel and broad approach to investigate neural networks in general.

Large artificial neural networks have become a mainstay of language, vision, and audio processing and synthesis, yet their initializations and learning rates are often set in an unsophisticated fashion, due to the high cost of hyperparameter sweeps at scale. The mu-Parameterization (muP) offers a potential solution to this challenge, yielding scaling rules for model initialization and learning rates while reportedly enabling zero-shot hyperparameter transfer from small to large models. Despite its evident promise, the muP method is not yet widely adopted, perhaps due to higher implementation complexity, many variations, or complex theoretical background. This work investigates muP empirically, focusing on the ubiquitous transformer architecture, and aims to answer a simple question: does mu-Transfer yield optimal learning rates in practice? Studying models of up to 10B parameters and training budgets of up to 190B tokens, we find mu-Transfer works as intended for the majority of important cases, yet also identify a few cases where it may not.

We introduce SmolDocling, an ultra-compact vision-language model targeting end-to-end document conversion. Our model comprehensively processes entire pages by generating DocTags, a new universal markup format that captures all page elements in their full context with location. Unlike existing approaches that rely on large foundational models, or ensemble solutions that rely on handcrafted pipelines of multiple specialized models, SmolDocling offers an end-to-end conversion for accurately capturing content, structure and spatial location of document elements in a 256M parameters vision-language model. SmolDocling exhibits robust performance in correctly reproducing document features such as code listings, tables, equations, charts, lists, and more across a diverse range of document types including business documents, academic papers, technical reports, patents, and forms -- significantly extending beyond the commonly observed focus on scientific papers. Additionally, we contribute novel publicly sourced datasets for charts, tables, equations, and code recognition. Experimental results demonstrate that SmolDocling competes with other Vision Language Models that are up to 27 times larger in size, while reducing computational requirements substantially. The model is currently available, datasets will be publicly available soon.

Sign Language Translation (SLT) is a challenging task due to its cross-domain nature, involving the translation of visual-gestural language to text. Many previous methods employ an intermediate representation, i.e., gloss sequences, to facilitate SLT, thus transforming it into a two-stage task of sign language recognition (SLR) followed by sign language translation (SLT). However, the scarcity of gloss-annotated sign language data, combined with the information bottleneck in the mid-level gloss representation, has hindered the further development of the SLT task. To address this challenge, we propose a novel Gloss-Free SLT based on Visual-Language Pretraining (GFSLT-VLP), which improves SLT by inheriting language-oriented prior knowledge from pre-trained models, without any gloss annotation assistance. Our approach involves two stages: (i) integrating Contrastive Language-Image Pre-training (CLIP) with masked self-supervised learning to create pre-tasks that bridge the semantic gap between visual and textual representations and restore masked sentences, and (ii) constructing an end-to-end architecture with an encoder-decoder-like structure that inherits the parameters of the pre-trained Visual Encoder and Text Decoder from the first stage. The seamless combination of these novel designs forms a robust sign language representation and significantly improves gloss-free sign language translation. In particular, we have achieved unprecedented improvements in terms of BLEU-4 score on the PHOENIX14T dataset (>+5) and the CSL-Daily dataset (>+3) compared to state-of-the-art gloss-free SLT methods. Furthermore, our approach also achieves competitive results on the PHOENIX14T dataset when compared with most of the gloss-based methods. Our code is available at https://github.com/zhoubenjia/GFSLT-VLP.

When applying a pre-trained 2D-to-3D human pose lifting model to a target unseen dataset, large performance degradation is commonly encountered due to domain shift issues. We observe that the degradation is caused by two factors: 1) the large distribution gap over global positions of poses between the source and target datasets due to variant camera parameters and settings, and 2) the deficient diversity of local structures of poses in training. To this end, we combine global adaptation and local generalization in PoseDA, a simple yet effective framework of unsupervised domain adaptation for 3D human pose estimation. Specifically, global adaptation aims to align global positions of poses from the source domain to the target domain with a proposed global position alignment (GPA) module. And local generalization is designed to enhance the diversity of 2D-3D pose mapping with a local pose augmentation (LPA) module. These modules bring significant performance improvement without introducing additional learnable parameters. In addition, we propose local pose augmentation (LPA) to enhance the diversity of 3D poses following an adversarial training scheme consisting of 1) a augmentation generator that generates the parameters of pre-defined pose transformations and 2) an anchor discriminator to ensure the reality and quality of the augmented data. Our approach can be applicable to almost all 2D-3D lifting models. PoseDA achieves 61.3 mm of MPJPE on MPI-INF-3DHP under a cross-dataset evaluation setup, improving upon the previous state-of-the-art method by 10.2\%.

3D Gaussian Splatting has recently emerged as a highly promising technique for modeling of static 3D scenes. In contrast to Neural Radiance Fields, it utilizes efficient rasterization allowing for very fast rendering at high-quality. However, the storage size is significantly higher, which hinders practical deployment, e.g.~on resource constrained devices. In this paper, we introduce a compact scene representation organizing the parameters of 3D Gaussian Splatting (3DGS) into a 2D grid with local homogeneity, ensuring a drastic reduction in storage requirements without compromising visual quality during rendering. Central to our idea is the explicit exploitation of perceptual redundancies present in natural scenes. In essence, the inherent nature of a scene allows for numerous permutations of Gaussian parameters to equivalently represent it. To this end, we propose a novel highly parallel algorithm that regularly arranges the high-dimensional Gaussian parameters into a 2D grid while preserving their neighborhood structure. During training, we further enforce local smoothness between the sorted parameters in the grid. The uncompressed Gaussians use the same structure as 3DGS, ensuring a seamless integration with established renderers. Our method achieves a reduction factor of 8x to 26x in size for complex scenes with no increase in training time, marking a substantial leap forward in the domain of 3D scene distribution and consumption. Additional information can be found on our project page: https://fraunhoferhhi.github.io/Self-Organizing-Gaussians/

We analyse the observational signatures of galactic magnetic fields that are self-consistently generated in magnetohydrodynamic simulations of the interstellar medium through turbulence driven by supernova (SN) explosions and differential rotation. In particular, we study the time evolution of the Faraday rotation measure (RM), synchrotron radiation, and Stokes parameters by characterising the typical structures formed in the plane of observation. We do this by defining two distinct models for both thermal and cosmic ray (CR) electron distributions. Our results indicate that the maps of RM have structures which are sheared and rendered anisotropically by differential rotation and that they depend on the choice of thermal electrons model as well as the SN rate. Synchrotron maps are qualitatively similar to the maps of the mean magnetic field along the line of sight and structures are only marginally affected by the CR model. Stokes parameters and related quantities, such as the degree of linear polarisation, are highly dependent on both frequency and resolution of the observation.

Many patterns in nature exhibit self-similarity: they can be compactly described via self-referential transformations. Said patterns commonly appear in natural and artificial objects, such as molecules, shorelines, galaxies and even images. In this work, we investigate the role of learning in the automated discovery of self-similarity and in its utilization for downstream tasks. To this end, we design a novel class of implicit operators, Neural Collages, which (1) represent data as the parameters of a self-referential, structured transformation, and (2) employ hypernetworks to amortize the cost of finding these parameters to a single forward pass. We investigate how to leverage the representations produced by Neural Collages in various tasks, including data compression and generation. Neural Collages image compressors are orders of magnitude faster than other self-similarity-based algorithms during encoding and offer compression rates competitive with implicit methods. Finally, we showcase applications of Neural Collages for fractal art and as deep generative models.

Logs, being run-time information automatically generated by software, record system events and activities with their timestamps. Before obtaining more insights into the run-time status of the software, a fundamental step of log analysis, called log parsing, is employed to extract structured templates and parameters from the semi-structured raw log messages. However, current log parsers are all syntax-based and regard each message as a character string, ignoring the semantic information included in parameters and templates. Thus, we propose the semantic-based parser SemParser to unlock the critical bottleneck of mining semantics from log messages. It contains two steps, an end-to-end semantic miner and a joint parser. Specifically, the first step aims to identify explicit semantics inside a single log, and the second step is responsible for jointly inferring implicit semantics and computing structural outputs based on the contextual knowledge base. To analyze the effectiveness of our semantic parser, we first demonstrate that it can derive rich semantics from log messages collected from six widely-applied systems with an average F1 score of 0.985. Then, we conduct two representative downstream tasks, showing that current downstream models improve their performance with appropriately extracted semantics by 1.2%-11.7% and 8.65% on two anomaly detection datasets and a failure identification dataset, respectively. We believe these findings provide insights into semantically understanding log messages for the log analysis community.

Transformers yield state-of-the-art results across many tasks. However, their heuristically designed architecture impose huge computational costs during inference. This work aims on challenging the common design philosophy of the Vision Transformer (ViT) model with uniform dimension across all the stacked blocks in a model stage, where we redistribute the parameters both across transformer blocks and between different structures within the block via the first systematic attempt on global structural pruning. Dealing with diverse ViT structural components, we derive a novel Hessian-based structural pruning criteria comparable across all layers and structures, with latency-aware regularization for direct latency reduction. Performing iterative pruning on the DeiT-Base model leads to a new architecture family called NViT (Novel ViT), with a novel parameter redistribution that utilizes parameters more efficiently. On ImageNet-1K, NViT-Base achieves a 2.6x FLOPs reduction, 5.1x parameter reduction, and 1.9x run-time speedup over the DeiT-Base model in a near lossless manner. Smaller NViT variants achieve more than 1% accuracy gain at the same throughput of the DeiT Small/Tiny variants, as well as a lossless 3.3x parameter reduction over the SWIN-Small model. These results outperform prior art by a large margin. Further analysis is provided on the parameter redistribution insight of NViT, where we show the high prunability of ViT models, distinct sensitivity within ViT block, and unique parameter distribution trend across stacked ViT blocks. Our insights provide viability for a simple yet effective parameter redistribution rule towards more efficient ViTs for off-the-shelf performance boost.

The success of visual instruction tuning has accelerated the development of large language and vision models (LLVMs). Following the scaling laws of instruction-tuned large language models (LLMs), LLVMs either have further increased their sizes, reaching 26B, 34B, and even 80B parameters. While this increase in model size has yielded significant performance gains, it demands substantially more hardware resources for both training and inference. Consequently, there naturally exists a strong need for efficient LLVMs that achieve the performance of larger models while being smaller in size. To achieve this need, we present a new efficient LLVM family with model sizes of 0.5B, 1.8B, 3.8B, and 7B parameters, Phantom, which significantly enhances learning capabilities within limited structures. By temporarily increasing the latent hidden dimension during multi-head self-attention (MHSA), we make LLVMs prepare to look and understand much more vision-language knowledge on the latent, without substantially increasing physical model sizes. To maximize its advantage, we introduce Phantom Optimization (PO) using both autoregressive supervised fine-tuning (SFT) and direct preference optimization (DPO)-like concept, which effectively follows correct answers while eliminating incorrect and ambiguous ones. Phantom outperforms numerous larger open- and closed-source LLVMs, positioning itself as a leading solution in the landscape of efficient LLVMs.

Accurate and timely detection of plant stress is essential for yield protection, allowing better-targeted intervention strategies. Recent advances in remote sensing and deep learning have shown great potential for rapid non-invasive detection of plant stress in a fully automated and reproducible manner. However, the existing models always face several challenges: 1) computational inefficiency and the misclassifications between the different stresses with similar symptoms; and 2) the poor interpretability of the host-stress interaction. In this work, we propose a novel fast Fourier Convolutional Neural Network (FFDNN) for accurate and explainable detection of two plant stresses with similar symptoms (i.e. Wheat Yellow Rust And Nitrogen Deficiency). Specifically, unlike the existing CNN models, the main components of the proposed model include: 1) a fast Fourier convolutional block, a newly fast Fourier transformation kernel as the basic perception unit, to substitute the traditional convolutional kernel to capture both local and global responses to plant stress in various time-scale and improve computing efficiency with reduced learning parameters in Fourier domain; 2) Capsule Feature Encoder to encapsulate the extracted features into a series of vector features to represent part-to-whole relationship with the hierarchical structure of the host-stress interactions of the specific stress. In addition, in order to alleviate over-fitting, a photochemical vegetation indices-based filter is placed as pre-processing operator to remove the non-photochemical noises from the input Sentinel-2 time series.

Topological data analysis (TDA) is an area of data science that focuses on using invariants from algebraic topology to provide multiscale shape descriptors for geometric data sets such as point clouds. One of the most important such descriptors is {\em persistent homology}, which encodes the change in shape as a filtration parameter changes; a typical parameter is the feature scale. For many data sets, it is useful to simultaneously vary multiple filtration parameters, for example feature scale and density. While the theoretical properties of single parameter persistent homology are well understood, less is known about the multiparameter case. In particular, a central question is the problem of representing multiparameter persistent homology by elements of a vector space for integration with standard machine learning algorithms. Existing approaches to this problem either ignore most of the multiparameter information to reduce to the one-parameter case or are heuristic and potentially unstable in the face of noise. In this article, we introduce a new general representation framework that leverages recent results on {\em decompositions} of multiparameter persistent homology. This framework is rich in information, fast to compute, and encompasses previous approaches. Moreover, we establish theoretical stability guarantees under this framework as well as efficient algorithms for practical computation, making this framework an applicable and versatile tool for analyzing geometric and point cloud data. We validate our stability results and algorithms with numerical experiments that demonstrate statistical convergence, prediction accuracy, and fast running times on several real data sets.

Second-order optimization has been developed to accelerate the training of deep neural networks and it is being applied to increasingly larger-scale models. In this study, towards training on further larger scales, we identify a specific parameterization for second-order optimization that promotes feature learning in a stable manner even if the network width increases significantly. Inspired by a maximal update parameterization, we consider a one-step update of the gradient and reveal the appropriate scales of hyperparameters including random initialization, learning rates, and damping terms. Our approach covers two major second-order optimization algorithms, K-FAC and Shampoo, and we demonstrate that our parameterization achieves higher generalization performance in feature learning. In particular, it enables us to transfer the hyperparameters across models with different widths.

Graph measures that express closeness or distance between nodes can be employed for graph nodes clustering using metric clustering algorithms. There are numerous measures applicable to this task, and which one performs better is an open question. We study the performance of 25 graph measures on generated graphs with different parameters. While usually measure comparisons are limited to general measure ranking on a particular dataset, we aim to explore the performance of various measures depending on graph features. Using an LFR graph generator, we create a dataset of 11780 graphs covering the whole LFR parameter space. For each graph, we assess the quality of clustering with k-means algorithm for each considered measure. Based on this, we determine the best measure for each area of the parameter space. We find that the parameter space consists of distinct zones where one particular measure is the best. We analyze the geometry of the resulting zones and describe it with simple criteria. Given particular graph parameters, this allows us to recommend a particular measure to use for clustering.

Parameter regularization or allocation methods are effective in overcoming catastrophic forgetting in lifelong learning. However, they solve all tasks in a sequence uniformly and ignore the differences in the learning difficulty of different tasks. So parameter regularization methods face significant forgetting when learning a new task very different from learned tasks, and parameter allocation methods face unnecessary parameter overhead when learning simple tasks. In this paper, we propose the Parameter Allocation & Regularization (PAR), which adaptively select an appropriate strategy for each task from parameter allocation and regularization based on its learning difficulty. A task is easy for a model that has learned tasks related to it and vice versa. We propose a divergence estimation method based on the Nearest-Prototype distance to measure the task relatedness using only features of the new task. Moreover, we propose a time-efficient relatedness-aware sampling-based architecture search strategy to reduce the parameter overhead for allocation. Experimental results on multiple benchmarks demonstrate that, compared with SOTAs, our method is scalable and significantly reduces the model's redundancy while improving the model's performance. Further qualitative analysis indicates that PAR obtains reasonable task-relatedness.

We use tools from geometric statistics to analyze the usual estimation procedure of a template shape. This applies to shapes from landmarks, curves, surfaces, images etc. We demonstrate the asymptotic bias of the template shape estimation using the stratified geometry of the shape space. We give a Taylor expansion of the bias with respect to a parameter sigma describing the measurement error on the data. We propose two bootstrap procedures that quantify the bias and correct it, if needed. They are applicable for any type of shape data. We give a rule of thumb to provide intuition on whether the bias has to be corrected. This exhibits the parameters that control the bias' magnitude. We illustrate our results on simulated and real shape data.

Global climate models (GCMs) are the main tools for understanding and predicting climate change. However, due to limited numerical resolutions, these models suffer from major structural uncertainties; e.g., they cannot resolve critical processes such as small-scale eddies in atmospheric and oceanic turbulence. Thus, such small-scale processes have to be represented as a function of the resolved scales via closures (parametrization). The accuracy of these closures is particularly important for capturing climate extremes. Traditionally, such closures are based on heuristics and simplifying assumptions about the unresolved physics. Recently, supervised-learned closures, trained offline on high-fidelity data, have been shown to outperform the classical physics-based closures. However, this approach requires a significant amount of high-fidelity training data and can also lead to instabilities. Reinforcement learning is emerging as a potent alternative for developing such closures as it requires only low-order statistics and leads to stable closures. In Scientific Multi-Agent Reinforcement Learning (SMARL) computational elements serve a dual role of discretization points and learning agents. We leverage SMARL and fundamentals of turbulence physics to learn closures for prototypes of atmospheric and oceanic turbulence. The policy is trained using only the enstrophy spectrum, which is nearly invariant and can be estimated from a few high-fidelity samples (these few samples are far from enough for supervised/offline learning). We show that these closures lead to stable low-resolution simulations that, at a fraction of the cost, can reproduce the high-fidelity simulations' statistics, including the tails of the probability density functions. The results demonstrate the high potential of SMARL for closure modeling for GCMs, especially in the regime of scarce data and indirect observations.

Machine learning methods can be a valuable aid in the scientific process, but they need to face challenging settings where data come from inhomogeneous experimental conditions. Recent meta-learning methods have made significant progress in multi-task learning, but they rely on black-box neural networks, resulting in high computational costs and limited interpretability. Leveraging the structure of the learning problem, we argue that multi-environment generalization can be achieved using a simpler learning model, with an affine structure with respect to the learning task. Crucially, we prove that this architecture can identify the physical parameters of the system, enabling interpreable learning. We demonstrate the competitive generalization performance and the low computational cost of our method by comparing it to state-of-the-art algorithms on physical systems, ranging from toy models to complex, non-analytical systems. The interpretability of our method is illustrated with original applications to physical-parameter-induced adaptation and to adaptive control.

Earth system models suffer from various structural and parametric errors in their representation of nonlinear, multi-scale processes, leading to uncertainties in their long-term projections. The effects of many of these errors (particularly those due to fast physics) can be quantified in short-term simulations, e.g., as differences between the predicted and observed states (analysis increments). With the increase in the availability of high-quality observations and simulations, learning nudging from these increments to correct model errors has become an active research area. However, most studies focus on using neural networks, which while powerful, are hard to interpret, are data-hungry, and poorly generalize out-of-distribution. Here, we show the capabilities of Model Error Discovery with Interpretability and Data Assimilation (MEDIDA), a general, data-efficient framework that uses sparsity-promoting equation-discovery techniques to learn model errors from analysis increments. Using two-layer quasi-geostrophic turbulence as the test case, MEDIDA is shown to successfully discover various linear and nonlinear structural/parametric errors when full observations are available. Discovery from spatially sparse observations is found to require highly accurate interpolation schemes. While NNs have shown success as interpolators in recent studies, here, they are found inadequate due to their inability to accurately represent small scales, a phenomenon known as spectral bias. We show that a general remedy, adding a random Fourier feature layer to the NN, resolves this issue enabling MEDIDA to successfully discover model errors from sparse observations. These promising results suggest that with further development, MEDIDA could be scaled up to models of the Earth system and real observations.

The utility of a learned neural representation depends on how well its geometry supports performance in downstream tasks. This geometry depends on the structure of the inputs, the structure of the target outputs, and the architecture of the network. By studying the learning dynamics of networks with one hidden layer, we discovered that the network's activation function has an unexpectedly strong impact on the representational geometry: Tanh networks tend to learn representations that reflect the structure of the target outputs, while ReLU networks retain more information about the structure of the raw inputs. This difference is consistently observed across a broad class of parameterized tasks in which we modulated the degree of alignment between the geometry of the task inputs and that of the task labels. We analyzed the learning dynamics in weight space and show how the differences between the networks with Tanh and ReLU nonlinearities arise from the asymmetric asymptotic behavior of ReLU, which leads feature neurons to specialize for different regions of input space. By contrast, feature neurons in Tanh networks tend to inherit the task label structure. Consequently, when the target outputs are low dimensional, Tanh networks generate neural representations that are more disentangled than those obtained with a ReLU nonlinearity. Our findings shed light on the interplay between input-output geometry, nonlinearity, and learned representations in neural networks.

Inferring causal structure poses a combinatorial search problem that typically involves evaluating structures with a score or independence test. The resulting search is costly, and designing suitable scores or tests that capture prior knowledge is difficult. In this work, we propose to amortize causal structure learning. Rather than searching over structures, we train a variational inference model to directly predict the causal structure from observational or interventional data. This allows our inference model to acquire domain-specific inductive biases for causal discovery solely from data generated by a simulator, bypassing both the hand-engineering of suitable score functions and the search over graphs. The architecture of our inference model emulates permutation invariances that are crucial for statistical efficiency in structure learning, which facilitates generalization to significantly larger problem instances than seen during training. On synthetic data and semisynthetic gene expression data, our models exhibit robust generalization capabilities when subject to substantial distribution shifts and significantly outperform existing algorithms, especially in the challenging genomics domain. Our code and models are publicly available at: https://github.com/larslorch/avici.

In this work, we propose a communication-efficient parameterization, FedPara, for federated learning (FL) to overcome the burdens on frequent model uploads and downloads. Our method re-parameterizes weight parameters of layers using low-rank weights followed by the Hadamard product. Compared to the conventional low-rank parameterization, our FedPara method is not restricted to low-rank constraints, and thereby it has a far larger capacity. This property enables to achieve comparable performance while requiring 3 to 10 times lower communication costs than the model with the original layers, which is not achievable by the traditional low-rank methods. The efficiency of our method can be further improved by combining with other efficient FL optimizers. In addition, we extend our method to a personalized FL application, pFedPara, which separates parameters into global and local ones. We show that pFedPara outperforms competing personalized FL methods with more than three times fewer parameters.

In several recently proposed stochastic optimization methods (e.g. RMSProp, Adam, Adadelta), parameter updates are scaled by the inverse square roots of exponential moving averages of squared past gradients. Maintaining these per-parameter second-moment estimators requires memory equal to the number of parameters. For the case of neural network weight matrices, we propose maintaining only the per-row and per-column sums of these moving averages, and estimating the per-parameter second moments based on these sums. We demonstrate empirically that this method produces similar results to the baseline. Secondly, we show that adaptive methods can produce larger-than-desired updates when the decay rate of the second moment accumulator is too slow. We propose update clipping and a gradually increasing decay rate scheme as remedies. Combining these methods and dropping momentum, we achieve comparable results to the published Adam regime in training the Transformer model on the WMT 2014 English-German machine translation task, while using very little auxiliary storage in the optimizer. Finally, we propose scaling the parameter updates based on the scale of the parameters themselves.

The aerodynamic coefficients of aircrafts are significantly impacted by its geometry, especially when the angle of attack (AoA) is large. In the field of aerodynamics, traditional polynomial-based parameterization uses as few parameters as possible to describe the geometry of an airfoil. However, because the 3D geometry of a wing is more complicated than the 2D airfoil, polynomial-based parameterizations have difficulty in accurately representing the entire shape of a wing in 3D space. Existing deep learning-based methods can extract massive latent neural representations for the shape of 2D airfoils or 2D slices of wings. Recent studies highlight that directly taking geometric features as inputs to the neural networks can improve the accuracy of predicted aerodynamic coefficients. Motivated by geometry theory, we propose to incorporate Riemannian geometric features for learning Coefficient of Pressure (CP) distributions on wing surfaces. Our method calculates geometric features (Riemannian metric, connection, and curvature) and further inputs the geometric features, coordinates and flight conditions into a deep learning model to predict the CP distribution. Experimental results show that our method, compared to state-of-the-art Deep Attention Network (DAN), reduces the predicted mean square error (MSE) of CP by an average of 8.41% for the DLR-F11 aircraft test set.

Using a set of LambdaCDM simulations of cosmic structure formation, we study the evolving connectivity and changing topological structure of the cosmic web using state-of-the-art tools of multiscale topological data analysis (TDA). We follow the development of the cosmic web topology in terms of the evolution of Betti number curves and feature persistence diagrams of the three (topological) classes of structural features: matter concentrations, filaments and tunnels, and voids. The Betti curves specify the prominence of features as a function of density level, and their evolution with cosmic epoch reflects the changing network connections between these structural features. The persistence diagrams quantify the longevity and stability of topological features. In this study we establish, for the first time, the link between persistence diagrams, the features they show, and the gravitationally driven cosmic structure formation process. By following the diagrams' development over cosmic time, the link between the multiscale topology of the cosmic web and the hierarchical buildup of cosmic structure is established. The sharp apexes in the diagrams are intimately related to key transitions in the structure formation process. The apex in the matter concentration diagrams coincides with the density level at which, typically, they detach from the Hubble expansion and begin to collapse. At that level many individual islands merge to form the network of the cosmic web and a large number of filaments and tunnels emerge to establish its connecting bridges. The location trends of the apex possess a self-similar character that can be related to the cosmic web's hierarchical buildup. We find that persistence diagrams provide a significantly higher and more profound level of information on the structure formation process than more global summary statistics like Euler characteristic or Betti numbers.

Diffusion (score-based) generative models have been widely used for modeling various types of complex data, including images, audios, and point clouds. Recently, the deep connection between forward-backward stochastic differential equations (SDEs) and diffusion-based models has been revealed, and several new variants of SDEs are proposed (e.g., sub-VP, critically-damped Langevin) along this line. Despite the empirical success of the hand-crafted fixed forward SDEs, a great quantity of proper forward SDEs remain unexplored. In this work, we propose a general framework for parameterizing the diffusion model, especially the spatial part of the forward SDE. An abstract formalism is introduced with theoretical guarantees, and its connection with previous diffusion models is leveraged. We demonstrate the theoretical advantage of our method from an optimization perspective. Numerical experiments on synthetic datasets, MINIST and CIFAR10 are also presented to validate the effectiveness of our framework.

The structure learning problem consists of fitting data generated by a Directed Acyclic Graph (DAG) to correctly reconstruct its arcs. In this context, differentiable approaches constrain or regularize the optimization problem using a continuous relaxation of the acyclicity property. The computational cost of evaluating graph acyclicity is cubic on the number of nodes and significantly affects scalability. In this paper we introduce COSMO, a constraint-free continuous optimization scheme for acyclic structure learning. At the core of our method, we define a differentiable approximation of an orientation matrix parameterized by a single priority vector. Differently from previous work, our parameterization fits a smooth orientation matrix and the resulting acyclic adjacency matrix without evaluating acyclicity at any step. Despite the absence of explicit constraints, we prove that COSMO always converges to an acyclic solution. In addition to being asymptotically faster, our empirical analysis highlights how COSMO performance on graph reconstruction compares favorably with competing structure learning methods.

Bayes' rule tells us how to invert a causal process in order to update our beliefs in light of new evidence. If the process is believed to have a complex compositional structure, we may observe that the inversion of the whole can be computed piecewise in terms of the component processes. We study the structure of this compositional rule, noting that it relates to the lens pattern in functional programming. Working in a suitably general axiomatic presentation of a category of Markov kernels, we see how we can think of Bayesian inversion as a particular instance of a state-dependent morphism in a fibred category. We discuss the compositional nature of this, formulated as a functor on the underlying category and explore how this can used for a more type-driven approach to statistical inference.

We introduce a new family of physics-inspired generative models termed PFGM++ that unifies diffusion models and Poisson Flow Generative Models (PFGM). These models realize generative trajectories for N dimensional data by embedding paths in N{+}D dimensional space while still controlling the progression with a simple scalar norm of the D additional variables. The new models reduce to PFGM when D{=}1 and to diffusion models when D{to}infty. The flexibility of choosing D allows us to trade off robustness against rigidity as increasing D results in more concentrated coupling between the data and the additional variable norms. We dispense with the biased large batch field targets used in PFGM and instead provide an unbiased perturbation-based objective similar to diffusion models. To explore different choices of D, we provide a direct alignment method for transferring well-tuned hyperparameters from diffusion models (D{to} infty) to any finite D values. Our experiments show that models with finite D can be superior to previous state-of-the-art diffusion models on CIFAR-10/FFHQ 64{times}64 datasets, with FID scores of 1.91/2.43 when D{=}2048/128. In class-conditional setting, D{=}2048 yields current state-of-the-art FID of 1.74 on CIFAR-10. In addition, we demonstrate that models with smaller D exhibit improved robustness against modeling errors. Code is available at https://github.com/Newbeeer/pfgmpp

Representing a manifold of very high-dimensional data with generative models has been shown to be computationally efficient in practice. However, this requires that the data manifold admits a global parameterization. In order to represent manifolds of arbitrary topology, we propose to learn a mixture model of variational autoencoders. Here, every encoder-decoder pair represents one chart of a manifold. We propose a loss function for maximum likelihood estimation of the model weights and choose an architecture that provides us the analytical expression of the charts and of their inverses. Once the manifold is learned, we use it for solving inverse problems by minimizing a data fidelity term restricted to the learned manifold. To solve the arising minimization problem we propose a Riemannian gradient descent algorithm on the learned manifold. We demonstrate the performance of our method for low-dimensional toy examples as well as for deblurring and electrical impedance tomography on certain image manifolds.

We look at the eigenvalues of the Hessian of a loss function before and after training. The eigenvalue distribution is seen to be composed of two parts, the bulk which is concentrated around zero, and the edges which are scattered away from zero. We present empirical evidence for the bulk indicating how over-parametrized the system is, and for the edges that depend on the input data.

We give a conceptual treatment of the notion of joints, marginals, and independence in the setting of categorical probability. This is achieved by endowing the usual probability monads (like the Giry monad) with a monoidal and an opmonoidal structure, mutually compatible (i.e. a bimonoidal structure). If the underlying monoidal category is cartesian monoidal, a bimonoidal structure is given uniquely by a commutative strength. However, if the underlying monoidal category is not cartesian monoidal, a strength is not enough to guarantee all the desired properties of joints and marginals. A bimonoidal structure is then the correct requirement for the more general case. We explain the theory and the operational interpretation, with the help of the graphical calculus for monoidal categories. We give a definition of stochastic independence based on the bimonoidal structure, compatible with the intuition and with other approaches in the literature for cartesian monoidal categories. We then show as an example that the Kantorovich monad on the category of complete metric spaces is a bimonoidal monad for a non-cartesian monoidal structure.

Parameter inference, i.e. inferring the posterior distribution of the parameters of a statistical model given some data, is a central problem to many scientific disciplines. Generative models can be used as an alternative to Markov Chain Monte Carlo methods for conducting posterior inference, both in likelihood-based and simulation-based problems. However, assessing the accuracy of posteriors encoded in generative models is not straightforward. In this paper, we introduce `Tests of Accuracy with Random Points' (TARP) coverage testing as a method to estimate coverage probabilities of generative posterior estimators. Our method differs from previously-existing coverage-based methods, which require posterior evaluations. We prove that our approach is necessary and sufficient to show that a posterior estimator is accurate. We demonstrate the method on a variety of synthetic examples, and show that TARP can be used to test the results of posterior inference analyses in high-dimensional spaces. We also show that our method can detect inaccurate inferences in cases where existing methods fail.

In Multi-Task Learning (MTL), tasks may compete and limit the performance achieved on each other, rather than guiding the optimization to a solution, superior to all its single-task trained counterparts. Since there is often not a unique solution optimal for all tasks, practitioners have to balance tradeoffs between tasks' performance, and resort to optimality in the Pareto sense. Most MTL methodologies either completely neglect this aspect, and instead of aiming at learning a Pareto Front, produce one solution predefined by their optimization schemes, or produce diverse but discrete solutions. Recent approaches parameterize the Pareto Front via neural networks, leading to complex mappings from tradeoff to objective space. In this paper, we conjecture that the Pareto Front admits a linear parameterization in parameter space, which leads us to propose Pareto Manifold Learning, an ensembling method in weight space. Our approach produces a continuous Pareto Front in a single training run, that allows to modulate the performance on each task during inference. Experiments on multi-task learning benchmarks, ranging from image classification to tabular datasets and scene understanding, show that Pareto Manifold Learning outperforms state-of-the-art single-point algorithms, while learning a better Pareto parameterization than multi-point baselines.

Exploration in environments which differ across episodes has received increasing attention in recent years. Current methods use some combination of global novelty bonuses, computed using the agent's entire training experience, and episodic novelty bonuses, computed using only experience from the current episode. However, the use of these two types of bonuses has been ad-hoc and poorly understood. In this work, we shed light on the behavior of these two types of bonuses through controlled experiments on easily interpretable tasks as well as challenging pixel-based settings. We find that the two types of bonuses succeed in different settings, with episodic bonuses being most effective when there is little shared structure across episodes and global bonuses being effective when more structure is shared. We develop a conceptual framework which makes this notion of shared structure precise by considering the variance of the value function across contexts, and which provides a unifying explanation of our empirical results. We furthermore find that combining the two bonuses can lead to more robust performance across different degrees of shared structure, and investigate different algorithmic choices for defining and combining global and episodic bonuses based on function approximation. This results in an algorithm which sets a new state of the art across 16 tasks from the MiniHack suite used in prior work, and also performs robustly on Habitat and Montezuma's Revenge.

In theoretical neuroscience, recent work leverages deep learning tools to explore how some network attributes critically influence its learning dynamics. Notably, initial weight distributions with small (resp. large) variance may yield a rich (resp. lazy) regime, where significant (resp. minor) changes to network states and representation are observed over the course of learning. However, in biology, neural circuit connectivity could exhibit a low-rank structure and therefore differs markedly from the random initializations generally used for these studies. As such, here we investigate how the structure of the initial weights -- in particular their effective rank -- influences the network learning regime. Through both empirical and theoretical analyses, we discover that high-rank initializations typically yield smaller network changes indicative of lazier learning, a finding we also confirm with experimentally-driven initial connectivity in recurrent neural networks. Conversely, low-rank initialization biases learning towards richer learning. Importantly, however, as an exception to this rule, we find lazier learning can still occur with a low-rank initialization that aligns with task and data statistics. Our research highlights the pivotal role of initial weight structures in shaping learning regimes, with implications for metabolic costs of plasticity and risks of catastrophic forgetting.

Numerical simulations in climate, chemistry, or astrophysics are computationally too expensive for uncertainty quantification or parameter-exploration at high-resolution. Reduced-order or surrogate models are multiple orders of magnitude faster, but traditional surrogates are inflexible or inaccurate and pure machine learning (ML)-based surrogates too data-hungry. We propose a hybrid, flexible surrogate model that exploits known physics for simulating large-scale dynamics and limits learning to the hard-to-model term, which is called parametrization or closure and captures the effect of fine- onto large-scale dynamics. Leveraging neural operators, we are the first to learn grid-independent, non-local, and flexible parametrizations. Our multiscale neural operator is motivated by a rich literature in multiscale modeling, has quasilinear runtime complexity, is more accurate or flexible than state-of-the-art parametrizations and demonstrated on the chaotic equation multiscale Lorenz96.

Hyperparameter optimization (HPO) is concerned with the automated search for the most appropriate hyperparameter configuration (HPC) of a parameterized machine learning algorithm. A state-of-the-art HPO method is Hyperband, which, however, has its own parameters that influence its performance. One of these parameters, the maximal budget, is especially problematic: If chosen too small, the budget needs to be increased in hindsight and, as Hyperband is not incremental by design, the entire algorithm must be re-run. This is not only costly but also comes with a loss of valuable knowledge already accumulated. In this paper, we propose incremental variants of Hyperband that eliminate these drawbacks, and show that these variants satisfy theoretical guarantees qualitatively similar to those for the original Hyperband with the "right" budget. Moreover, we demonstrate their practical utility in experiments with benchmark data sets.

Machine learning models are often tuned by nesting optimization of model weights inside the optimization of hyperparameters. We give a method to collapse this nested optimization into joint stochastic optimization of weights and hyperparameters. Our process trains a neural network to output approximately optimal weights as a function of hyperparameters. We show that our technique converges to locally optimal weights and hyperparameters for sufficiently large hypernetworks. We compare this method to standard hyperparameter optimization strategies and demonstrate its effectiveness for tuning thousands of hyperparameters.

Solving a linear system Ax=b is a fundamental scientific computing primitive for which numerous solvers and preconditioners have been developed. These come with parameters whose optimal values depend on the system being solved and are often impossible or too expensive to identify; thus in practice sub-optimal heuristics are used. We consider the common setting in which many related linear systems need to be solved, e.g. during a single numerical simulation. In this scenario, can we sequentially choose parameters that attain a near-optimal overall number of iterations, without extra matrix computations? We answer in the affirmative for Successive Over-Relaxation (SOR), a standard solver whose parameter omega has a strong impact on its runtime. For this method, we prove that a bandit online learning algorithm -- using only the number of iterations as feedback -- can select parameters for a sequence of instances such that the overall cost approaches that of the best fixed omega as the sequence length increases. Furthermore, when given additional structural information, we show that a contextual bandit method asymptotically achieves the performance of the instance-optimal policy, which selects the best omega for each instance. Our work provides the first learning-theoretic treatment of high-precision linear system solvers and the first end-to-end guarantees for data-driven scientific computing, demonstrating theoretically the potential to speed up numerical methods using well-understood learning algorithms.

Kaplan et al. and Hoffmann et al. developed influential scaling laws for the optimal model size as a function of the compute budget, but these laws yield substantially different predictions. We explain the discrepancy by reproducing the Kaplan scaling law on two datasets (OpenWebText2 and RefinedWeb) and identifying three factors causing the difference: last layer computational cost, warmup duration, and scale-dependent optimizer tuning. With these factors corrected, we obtain excellent agreement with the Hoffmann et al. (i.e., "Chinchilla") scaling law. Counter to a hypothesis of Hoffmann et al., we find that careful learning rate decay is not essential for the validity of their scaling law. As a secondary result, we derive scaling laws for the optimal learning rate and batch size, finding that tuning the AdamW beta_2 parameter is essential at lower batch sizes.

The singlet-doublet vector-like fermion dark matter model has been extensively studied in the literature over the past decade. An important parameter in this model is the singlet-doublet mixing angle (sintheta). All the previous studies have primarily focused on annihilation and co-annihilation processes for obtaining the correct dark matter relic density, assuming that the singlet and doublet components decouple at the same epoch. In this work, we demonstrate that this assumption holds only for larger mixing angles with a dependency on the mass of the dark matter. However, it badly fails for the mixing angle sintheta<0.05. We present a systematic study of the parameter space of the singlet-doublet dark matter relic, incorporating annihilation, co-annihilation, and, for the first time, co-scattering processes. Additionally, the freeze-in parameter space is also explored. We found that due to the inclusion of co-scattering processes, the correct relic density parameter space is shifted towards the detection sensitivity range of the LHC and MATHUSLA via displaced vertex signatures.

The performance of an algorithm often critically depends on its parameter configuration. While a variety of automated algorithm configuration methods have been proposed to relieve users from the tedious and error-prone task of manually tuning parameters, there is still a lot of untapped potential as the learned configuration is static, i.e., parameter settings remain fixed throughout the run. However, it has been shown that some algorithm parameters are best adjusted dynamically during execution, e.g., to adapt to the current part of the optimization landscape. Thus far, this is most commonly achieved through hand-crafted heuristics. A promising recent alternative is to automatically learn such dynamic parameter adaptation policies from data. In this article, we give the first comprehensive account of this new field of automated dynamic algorithm configuration (DAC), present a series of recent advances, and provide a solid foundation for future research in this field. Specifically, we (i) situate DAC in the broader historical context of AI research; (ii) formalize DAC as a computational problem; (iii) identify the methods used in prior-art to tackle this problem; (iv) conduct empirical case studies for using DAC in evolutionary optimization, AI planning, and machine learning.

In many neural networks, different values of the parameters may result in the same loss value. Parameter space symmetries are loss-invariant transformations that change the model parameters. Teleportation applies such transformations to accelerate optimization. However, the exact mechanism behind this algorithm's success is not well understood. In this paper, we show that teleportation not only speeds up optimization in the short-term, but gives overall faster time to convergence. Additionally, teleporting to minima with different curvatures improves generalization, which suggests a connection between the curvature of the minimum and generalization ability. Finally, we show that integrating teleportation into a wide range of optimization algorithms and optimization-based meta-learning improves convergence. Our results showcase the versatility of teleportation and demonstrate the potential of incorporating symmetry in optimization.

We introduce a novel approach for analyzing the training dynamics of ReLU networks by examining the characteristic activation boundaries of individual ReLU neurons. Our proposed analysis reveals a critical instability in common neural network parameterizations and normalizations during stochastic optimization, which impedes fast convergence and hurts generalization performance. Addressing this, we propose Geometric Parameterization (GmP), a novel neural network parameterization technique that effectively separates the radial and angular components of weights in the hyperspherical coordinate system. We show theoretically that GmP resolves the aforementioned instability issue. We report empirical results on various models and benchmarks to verify GmP's theoretical advantages of optimization stability, convergence speed and generalization performance.

We begin the study of list-decodable linear regression using batches. In this setting only an alpha in (0,1] fraction of the batches are genuine. Each genuine batch contains ge n i.i.d. samples from a common unknown distribution and the remaining batches may contain arbitrary or even adversarial samples. We derive a polynomial time algorithm that for any nge tilde Omega(1/alpha) returns a list of size mathcal O(1/alpha^2) such that one of the items in the list is close to the true regression parameter. The algorithm requires only mathcal{O}(d/alpha^2) genuine batches and works under fairly general assumptions on the distribution. The results demonstrate the utility of batch structure, which allows for the first polynomial time algorithm for list-decodable regression, which may be impossible for the non-batch setting, as suggested by a recent SQ lower bound diakonikolas2021statistical for the non-batch setting.

In this work, we introduce a single parameter omega, to effectively control granularity in diffusion-based synthesis. This parameter is incorporated during the denoising steps of the diffusion model's reverse process. Our approach does not require model retraining, architectural modifications, or additional computational overhead during inference, yet enables precise control over the level of details in the generated outputs. Moreover, spatial masks or denoising schedules with varying omega values can be applied to achieve region-specific or timestep-specific granularity control. Prior knowledge of image composition from control signals or reference images further facilitates the creation of precise omega masks for granularity control on specific objects. To highlight the parameter's role in controlling subtle detail variations, the technique is named Omegance, combining "omega" and "nuance". Our method demonstrates impressive performance across various image and video synthesis tasks and is adaptable to advanced diffusion models. The code is available at https://github.com/itsmag11/Omegance.

Neural networks efficiently encode learned information within their parameters. Consequently, many tasks can be unified by treating neural networks themselves as input data. When doing so, recent studies demonstrated the importance of accounting for the symmetries and geometry of parameter spaces. However, those works developed architectures tailored to specific networks such as MLPs and CNNs without normalization layers, and generalizing such architectures to other types of networks can be challenging. In this work, we overcome these challenges by building new metanetworks - neural networks that take weights from other neural networks as input. Put simply, we carefully build graphs representing the input neural networks and process the graphs using graph neural networks. Our approach, Graph Metanetworks (GMNs), generalizes to neural architectures where competing methods struggle, such as multi-head attention layers, normalization layers, convolutional layers, ResNet blocks, and group-equivariant linear layers. We prove that GMNs are expressive and equivariant to parameter permutation symmetries that leave the input neural network functions unchanged. We validate the effectiveness of our method on several metanetwork tasks over diverse neural network architectures.

Approximating nonlinear differential equations using a neural network provides a robust and efficient tool for various scientific computing tasks, including real-time predictions, inverse problems, optimal controls, and surrogate modeling. Previous works have focused on embedding dynamical systems into networks through two approaches: learning a single solution operator (i.e., the mapping from input parametrized functions to solutions) or learning the governing system of equations (i.e., the constitutive model relative to the state variables). Both of these approaches yield different representations for the same underlying data or function. Additionally, observing that families of differential equations often share key characteristics, we seek one network representation across a wide range of equations. Our method, called Predicting Operators and Symbolic Expressions (PROSE), learns maps from multimodal inputs to multimodal outputs, capable of generating both numerical predictions and mathematical equations. By using a transformer structure and a feature fusion approach, our network can simultaneously embed sets of solution operators for various parametric differential equations using a single trained network. Detailed experiments demonstrate that the network benefits from its multimodal nature, resulting in improved prediction accuracy and better generalization. The network is shown to be able to handle noise in the data and errors in the symbolic representation, including noisy numerical values, model misspecification, and erroneous addition or deletion of terms. PROSE provides a new neural network framework for differential equations which allows for more flexibility and generality in learning operators and governing equations from data.

Directed acyclic graphs (DAGs) encode a lot of information about a particular distribution in their structure. However, compute required to infer these structures is typically super-exponential in the number of variables, as inference requires a sweep of a combinatorially large space of potential structures. That is, until recent advances made it possible to search this space using a differentiable metric, drastically reducing search time. While this technique -- named NOTEARS -- is widely considered a seminal work in DAG-discovery, it concedes an important property in favour of differentiability: transportability. To be transportable, the structures discovered on one dataset must apply to another dataset from the same domain. We introduce D-Struct which recovers transportability in the discovered structures through a novel architecture and loss function while remaining fully differentiable. Because D-Struct remains differentiable, our method can be easily adopted in existing differentiable architectures, as was previously done with NOTEARS. In our experiments, we empirically validate D-Struct with respect to edge accuracy and structural Hamming distance in a variety of settings.

As energy systems transform to rely on renewable energy and electrification, they encounter stronger year-to-year variability in energy supply and demand. However, most infrastructure planning is based on a single weather year, resulting in a lack of robustness. In this paper, we optimize energy infrastructure for a European energy system designed for net-zero CO_2 emissions in 62 different weather years. Subsequently, we fix the capacity layouts and simulate their operation in every weather year, to evaluate resource adequacy and CO_2 emissions abatement. We show that interannual weather variability causes variation of pm10\% in total system cost. The most expensive capacity layout obtains the lowest net CO_2 emissions but not the highest resource adequacy. Instead, capacity layouts designed with years including compound weather events result in a more robust and cost-effective design. Deploying CO_2-emitting backup generation is a cost-effective robustness measure, which only increase CO_2 emissions marginally as the average CO_2 emissions remain less than 1\% of 1990 levels. Our findings highlight how extreme weather years drive investments in robustness measures, making them compatible with all weather conditions within six decades of historical weather data.

We consider the solvable neural scaling model with three parameters: data complexity, target complexity, and model-parameter-count. We use this neural scaling model to derive new predictions about the compute-limited, infinite-data scaling law regime. To train the neural scaling model, we run one-pass stochastic gradient descent on a mean-squared loss. We derive a representation of the loss curves which holds over all iteration counts and improves in accuracy as the model parameter count grows. We then analyze the compute-optimal model-parameter-count, and identify 4 phases (+3 subphases) in the data-complexity/target-complexity phase-plane. The phase boundaries are determined by the relative importance of model capacity, optimizer noise, and embedding of the features. We furthermore derive, with mathematical proof and extensive numerical evidence, the scaling-law exponents in all of these phases, in particular computing the optimal model-parameter-count as a function of floating point operation budget.

We present a new algorithm to optimize distributions defined implicitly by parameterized stochastic diffusions. Doing so allows us to modify the outcome distribution of sampling processes by optimizing over their parameters. We introduce a general framework for first-order optimization of these processes, that performs jointly, in a single loop, optimization and sampling steps. This approach is inspired by recent advances in bilevel optimization and automatic implicit differentiation, leveraging the point of view of sampling as optimization over the space of probability distributions. We provide theoretical guarantees on the performance of our method, as well as experimental results demonstrating its effectiveness in real-world settings.

The presence of linear paths in parameter space between two different network solutions in certain cases, i.e., linear mode connectivity (LMC), has garnered interest from both theoretical and practical fronts. There has been significant research that either practically designs algorithms catered for connecting networks by adjusting for the permutation symmetries as well as some others that more theoretically construct paths through which networks can be connected. Yet, the core reasons for the occurrence of LMC, when in fact it does occur, in the highly non-convex loss landscapes of neural networks are far from clear. In this work, we take a step towards understanding it by providing a model of how the loss landscape needs to behave topographically for LMC (or the lack thereof) to manifest. Concretely, we present a `mountainside and ridge' perspective that helps to neatly tie together different geometric features that can be spotted in the loss landscape along the training runs. We also complement this perspective by providing a theoretical analysis of the barrier height, for which we provide empirical support, and which additionally extends as a faithful predictor of layer-wise LMC. We close with a toy example that provides further intuition on how barriers arise in the first place, all in all, showcasing the larger aim of the work -- to provide a working model of the landscape and its topography for the occurrence of LMC.

Asymmetrical distance structures (quasimetrics) are ubiquitous in our lives and are gaining more attention in machine learning applications. Imposing such quasimetric structures in model representations has been shown to improve many tasks, including reinforcement learning (RL) and causal relation learning. In this work, we present four desirable properties in such quasimetric models, and show how prior works fail at them. We propose Interval Quasimetric Embedding (IQE), which is designed to satisfy all four criteria. On three quasimetric learning experiments, IQEs show strong approximation and generalization abilities, leading to better performance and improved efficiency over prior methods. Project Page: https://www.tongzhouwang.info/interval_quasimetric_embedding Quasimetric Learning Code Package: https://www.github.com/quasimetric-learning/torch-quasimetric

Deep neural networks can approximate functions on different types of data, from images to graphs, with varied underlying structure. This underlying structure can be viewed as the geometry of the data manifold. By extending recent advances in the theoretical understanding of neural networks, we study how a randomly initialized neural network with piece-wise linear activation splits the data manifold into regions where the neural network behaves as a linear function. We derive bounds on the density of boundary of linear regions and the distance to these boundaries on the data manifold. This leads to insights into the expressivity of randomly initialized deep neural networks on non-Euclidean data sets. We empirically corroborate our theoretical results using a toy supervised learning problem. Our experiments demonstrate that number of linear regions varies across manifolds and the results hold with changing neural network architectures. We further demonstrate how the complexity of linear regions is different on the low dimensional manifold of images as compared to the Euclidean space, using the MetFaces dataset.

Networks provide a powerful formalism for modeling complex systems by using a model of pairwise interactions. But much of the structure within these systems involves interactions that take place among more than two nodes at once; for example, communication within a group rather than person-to person, collaboration among a team rather than a pair of coauthors, or biological interaction between a set of molecules rather than just two. Such higher-order interactions are ubiquitous, but their empirical study has received limited attention, and little is known about possible organizational principles of such structures. Here we study the temporal evolution of 19 datasets with explicit accounting for higher-order interactions. We show that there is a rich variety of structure in our datasets but datasets from the same system types have consistent patterns of higher-order structure. Furthermore, we find that tie strength and edge density are competing positive indicators of higher-order organization, and these trends are consistent across interactions involving differing numbers of nodes. To systematically further the study of theories for such higher-order structures, we propose higher-order link prediction as a benchmark problem to assess models and algorithms that predict higher-order structure. We find a fundamental differences from traditional pairwise link prediction, with a greater role for local rather than long-range information in predicting the appearance of new interactions.

MATSim (Multi-Agent Transport Simulation Toolkit) is an open source large-scale agent-based transportation planning project applied to various areas like road transport, public transport, freight transport, regional evacuation, etc. BEAM (Behavior, Energy, Autonomy, and Mobility) framework extends MATSim to enable powerful and scalable analysis of urban transportation systems. The agents from the BEAM simulation exhibit 'mode choice' behavior based on multinomial logit model. In our study, we consider eight mode choices viz. bike, car, walk, ride hail, driving to transit, walking to transit, ride hail to transit, and ride hail pooling. The 'alternative specific constants' for each mode choice are critical hyperparameters in a configuration file related to a particular scenario under experimentation. We use the 'Urbansim-10k' BEAM scenario (with 10,000 population size) for all our experiments. Since these hyperparameters affect the simulation in complex ways, manual calibration methods are time consuming. We present a parallel Bayesian optimization method with early stopping rule to achieve fast convergence for the given multi-in-multi-out problem to its optimal configurations. Our model is based on an open source HpBandSter package. This approach combines hierarchy of several 1D Kernel Density Estimators (KDE) with a cheap evaluator (Hyperband, a single multidimensional KDE). Our model has also incorporated extrapolation based early stopping rule. With our model, we could achieve a 25% L1 norm for a large-scale BEAM simulation in fully autonomous manner. To the best of our knowledge, our work is the first of its kind applied to large-scale multi-agent transportation simulations. This work can be useful for surrogate modeling of scenarios with very large populations.

In "Backprop as functor", the authors show that the fundamental elements of deep learning -- gradient descent and backpropagation -- can be conceptualized as a strong monoidal functor Para(Euc)toLearn from the category of parameterized Euclidean spaces to that of learners, a category developed explicitly to capture parameter update and backpropagation. It was soon realized that there is an isomorphism LearncongPara(Slens), where Slens is the symmetric monoidal category of simple lenses as used in functional programming. In this note, we observe that Slens is a full subcategory of Poly, the category of polynomial functors in one variable, via the functor Amapsto Ay^A. Using the fact that (Poly,otimes) is monoidal closed, we show that a map Ato B in Para(Slens) has a natural interpretation in terms of dynamical systems (more precisely, generalized Moore machines) whose interface is the internal-hom type [Ay^A,By^B]. Finally, we review the fact that the category p-Coalg of dynamical systems on any p in Poly forms a topos, and consider the logical propositions that can be stated in its internal language. We give gradient descent as an example, and we conclude by discussing some directions for future work.

A central problem in machine learning involves modeling complex data-sets using highly flexible families of probability distributions in which learning, sampling, inference, and evaluation are still analytically or computationally tractable. Here, we develop an approach that simultaneously achieves both flexibility and tractability. The essential idea, inspired by non-equilibrium statistical physics, is to systematically and slowly destroy structure in a data distribution through an iterative forward diffusion process. We then learn a reverse diffusion process that restores structure in data, yielding a highly flexible and tractable generative model of the data. This approach allows us to rapidly learn, sample from, and evaluate probabilities in deep generative models with thousands of layers or time steps, as well as to compute conditional and posterior probabilities under the learned model. We additionally release an open source reference implementation of the algorithm.

Diatoms have been described as nanometer-born lithographers because of their ability to create sophisticated three-dimensional amorphous silica exoskeletons. The hierarchical architecture of these structures provides diatoms with mechanical protection and the ability to filter, float, and manipulate light. Therefore, they emerge as an extraordinary model of multifunctional materials from which to draw inspiration. In this paper, we use numerical simulations, analytical models, and experimental tests to unveil the structural and fluid dynamic efficiency of the Coscinodiscus species diatom. Then we propose a novel 3D printable multifunctional biomimetic material for applications such as porous filters, heat exchangers, drug delivery systems, lightweight structures, and robotics. Our results demonstrate the role of Nature as a material designer for efficient and tunable systems and highlight the potential of diatoms for engineering materials innovation. Additionally, the results reported in this paper lay the foundation to extend the structure-property characterization of diatoms.

Diffusion models may be formulated as a time-indexed sequence of energy-based models, where the score corresponds to the negative gradient of an energy function. As opposed to learning the score directly, an energy parameterization is attractive as the energy itself can be used to control generation via Monte Carlo samplers. Architectural constraints and training instability in energy parameterized models have so far yielded inferior performance compared to directly approximating the score or denoiser. We address these deficiencies by introducing a novel training regime for the energy function through distillation of pre-trained diffusion models, resembling a Helmholtz decomposition of the score vector field. We further showcase the synergies between energy and score by casting the diffusion sampling procedure as a Feynman Kac model where sampling is controlled using potentials from the learnt energy functions. The Feynman Kac model formalism enables composition and low temperature sampling through sequential Monte Carlo.

Sequential learning paradigms pose challenges for gradient-based deep learning due to difficulties incorporating new data and retaining prior knowledge. While Gaussian processes elegantly tackle these problems, they struggle with scalability and handling rich inputs, such as images. To address these issues, we introduce a technique that converts neural networks from weight space to function space, through a dual parameterization. Our parameterization offers: (i) a way to scale function-space methods to large data sets via sparsification, (ii) retention of prior knowledge when access to past data is limited, and (iii) a mechanism to incorporate new data without retraining. Our experiments demonstrate that we can retain knowledge in continual learning and incorporate new data efficiently. We further show its strengths in uncertainty quantification and guiding exploration in model-based RL. Further information and code is available on the project website.

Linear time-invariant state space models (SSM) are a classical model from engineering and statistics, that have recently been shown to be very promising in machine learning through the Structured State Space sequence model (S4). A core component of S4 involves initializing the SSM state matrix to a particular matrix called a HiPPO matrix, which was empirically important for S4's ability to handle long sequences. However, the specific matrix that S4 uses was actually derived in previous work for a particular time-varying dynamical system, and the use of this matrix as a time-invariant SSM had no known mathematical interpretation. Consequently, the theoretical mechanism by which S4 models long-range dependencies actually remains unexplained. We derive a more general and intuitive formulation of the HiPPO framework, which provides a simple mathematical interpretation of S4 as a decomposition onto exponentially-warped Legendre polynomials, explaining its ability to capture long dependencies. Our generalization introduces a theoretically rich class of SSMs that also lets us derive more intuitive S4 variants for other bases such as the Fourier basis, and explains other aspects of training S4, such as how to initialize the important timescale parameter. These insights improve S4's performance to 86% on the Long Range Arena benchmark, with 96% on the most difficult Path-X task.

Magnitude of a finite metric space and the related notion of magnitude functions on metric spaces is an active area of research in algebraic topology. Magnitude originally arose in the context of biology, where it represents the number of effective species in an environment; when applied to a one-parameter family of metric spaces tX with scale parameter t, the magnitude captures much of the underlying geometry of the space. Prior work has mostly focussed on properties of magnitude in a global sense; in this paper we restrict the sets to finite subsets of Euclidean space and investigate its individual components. We give an explicit formula for the corrected inclusion-exclusion principle, and define a quantity associated with each point, called the moment which gives an intrinsic ordering to the points. We exploit this in order to form an algorithm which approximates the convex hull.

State-of-the-art space science missions increasingly rely on automation due to spacecraft complexity and the costs of human oversight. The high volume of data, including scientific and telemetry data, makes manual inspection challenging. Machine learning offers significant potential to meet these demands. The Euclid space telescope, in its survey phase since February 2024, exemplifies this shift. Euclid's success depends on accurate monitoring and interpretation of housekeeping telemetry and science-derived data. Thousands of telemetry parameters, monitored as time series, may or may not impact the quality of scientific data. These parameters have complex interdependencies, often due to physical relationships (e.g., proximity of temperature sensors). Optimising science operations requires careful anomaly detection and identification of hidden parameter states. Moreover, understanding the interactions between known anomalies and physical quantities is crucial yet complex, as related parameters may display anomalies with varied timing and intensity. We address these challenges by analysing temperature anomalies in Euclid's telemetry from February to August 2024, focusing on eleven temperature parameters and 35 covariates. We use a predictive XGBoost model to forecast temperatures based on historical values, detecting anomalies as deviations from predictions. A second XGBoost model predicts anomalies from covariates, capturing their relationships to temperature anomalies. We identify the top three anomalies per parameter and analyse their interactions with covariates using SHAP (Shapley Additive Explanations), enabling rapid, automated analysis of complex parameter relationships. Our method demonstrates how machine learning can enhance telemetry monitoring, offering scalable solutions for other missions with similar data challenges.

The objective of this study is to evaluate the potential for History Matching (HM) to tune a climate system with multi-scale dynamics. By considering a toy climate model, namely, the two-scale Lorenz96 model and producing experiments in perfect-model setting, we explore in detail how several built-in choices need to be carefully tested. We also demonstrate the importance of introducing physical expertise in the range of parameters, a priori to running HM. Finally we revisit a classical procedure in climate model tuning, that consists of tuning the slow and fast components separately. By doing so in the Lorenz96 model, we illustrate the non-uniqueness of plausible parameters and highlight the specificity of metrics emerging from the coupling. This paper contributes also to bridging the communities of uncertainty quantification, machine learning and climate modeling, by making connections between the terms used by each community for the same concept and presenting promising collaboration avenues that would benefit climate modeling research.

State space models (SSM) have recently been shown to be very effective as a deep learning layer as a promising alternative to sequence models such as RNNs, CNNs, or Transformers. The first version to show this potential was the S4 model, which is particularly effective on tasks involving long-range dependencies by using a prescribed state matrix called the HiPPO matrix. While this has an interpretable mathematical mechanism for modeling long dependencies, it introduces a custom representation and algorithm that can be difficult to implement. On the other hand, a recent variant of S4 called DSS showed that restricting the state matrix to be fully diagonal can still preserve the performance of the original model when using a specific initialization based on approximating S4's matrix. This work seeks to systematically understand how to parameterize and initialize such diagonal state space models. While it follows from classical results that almost all SSMs have an equivalent diagonal form, we show that the initialization is critical for performance. We explain why DSS works mathematically, by showing that the diagonal restriction of S4's matrix surprisingly recovers the same kernel in the limit of infinite state dimension. We also systematically describe various design choices in parameterizing and computing diagonal SSMs, and perform a controlled empirical study ablating the effects of these choices. Our final model S4D is a simple diagonal version of S4 whose kernel computation requires just 2 lines of code and performs comparably to S4 in almost all settings, with state-of-the-art results for image, audio, and medical time-series domains, and averaging 85\% on the Long Range Arena benchmark.

Transport maps can ease the sampling of distributions with non-trivial geometries by transforming them into distributions that are easier to handle. The potential of this approach has risen with the development of Normalizing Flows (NF) which are maps parameterized with deep neural networks trained to push a reference distribution towards a target. NF-enhanced samplers recently proposed blend (Markov chain) Monte Carlo methods with either (i) proposal draws from the flow or (ii) a flow-based reparametrization. In both cases, the quality of the learned transport conditions performance. The present work clarifies for the first time the relative strengths and weaknesses of these two approaches. Our study concludes that multimodal targets can be reliably handled with flow-based proposals up to moderately high dimensions. In contrast, methods relying on reparametrization struggle with multimodality but are more robust otherwise in high-dimensional settings and under poor training. To further illustrate the influence of target-proposal adequacy, we also derive a new quantitative bound for the mixing time of the Independent Metropolis-Hastings sampler.

A primary cost driver for training large models is wall-clock training time. We show that popular time estimates based on FLOPs are poor estimates, and construct a more accurate proxy based on memory copies. We show that with some simple accounting, we can estimate the training speed of a transformer model from its hyperparameters. Combined with a scaling law curve like Chinchilla, this lets us estimate the final loss of the model. We fit our estimate to real data with a linear regression, and apply the result to rewrite Chinchilla in terms of a model's estimated training time as opposed to the amount of training data. This gives an expression for the loss in terms of the model's hyperparameters alone. We show that this expression is accurate across a wide range of model hyperparameter values, enabling us to analytically make architectural decisions and train models more efficiently.