Daily Papers

Effective regularization techniques are highly desired in deep learning for alleviating overfitting and improving generalization. This work proposes a new regularization scheme, based on the understanding that the flat local minima of the empirical risk cause the model to generalize better. This scheme is referred to as adversarial model perturbation (AMP), where instead of directly minimizing the empirical risk, an alternative "AMP loss" is minimized via SGD. Specifically, the AMP loss is obtained from the empirical risk by applying the "worst" norm-bounded perturbation on each point in the parameter space. Comparing with most existing regularization schemes, AMP has strong theoretical justifications, in that minimizing the AMP loss can be shown theoretically to favour flat local minima of the empirical risk. Extensive experiments on various modern deep architectures establish AMP as a new state of the art among regularization schemes. Our code is available at https://github.com/hiyouga/AMP-Regularizer.

Current low-precision quantization algorithms often have the hidden cost of conversion back and forth from floating point to quantized integer values. This hidden cost limits the latency improvement realized by quantizing Neural Networks. To address this, we present HAWQV3, a novel mixed-precision integer-only quantization framework. The contributions of HAWQV3 are the following: (i) An integer-only inference where the entire computational graph is performed only with integer multiplication, addition, and bit shifting, without any floating point operations or even integer division; (ii) A novel hardware-aware mixed-precision quantization method where the bit-precision is calculated by solving an integer linear programming problem that balances the trade-off between model perturbation and other constraints, e.g., memory footprint and latency; (iii) Direct hardware deployment and open source contribution for 4-bit uniform/mixed-precision quantization in TVM, achieving an average speed up of 1.45times for uniform 4-bit, as compared to uniform 8-bit for ResNet50 on T4 GPUs; and (iv) extensive evaluation of the proposed methods on ResNet18/50 and InceptionV3, for various model compression levels with/without mixed precision. For ResNet50, our INT8 quantization achieves an accuracy of 77.58%, which is 2.68% higher than prior integer-only work, and our mixed-precision INT4/8 quantization can reduce INT8 latency by 23% and still achieve 76.73% accuracy. Our framework and the TVM implementation have been open sourced.

Unwanted and often harmful social biases are becoming ever more salient in NLP research, affecting both models and datasets. In this work, we ask whether training on demographically perturbed data leads to fairer language models. We collect a large dataset of human annotated text perturbations and train a neural perturbation model, which we show outperforms heuristic alternatives. We find that (i) language models (LMs) pre-trained on demographically perturbed corpora are typically more fair, and (ii) LMs finetuned on perturbed GLUE datasets exhibit less demographic bias on downstream tasks, and (iii) fairness improvements do not come at the expense of performance on downstream tasks. Lastly, we discuss outstanding questions about how best to evaluate the (un)fairness of large language models. We hope that this exploration of neural demographic perturbation will help drive more improvement towards fairer NLP.

The large language model (LLM)-as-judge paradigm has been used to meet the demand for a cheap, reliable, and fast evaluation of model outputs during AI system development and post-deployment monitoring. While judge models -- LLMs finetuned to specialize in assessing and critiquing model outputs -- have been touted as general purpose evaluators, they are typically evaluated only on non-contextual scenarios, such as instruction following. The omission of contextual settings -- those where external information is used as context to generate an output -- is surprising given the increasing prevalence of retrieval-augmented generation (RAG) and summarization use cases. Contextual assessment is uniquely challenging, as evaluation often depends on practitioner priorities, leading to conditional evaluation criteria (e.g., comparing responses based on factuality and then considering completeness if they are equally factual). To address the gap, we propose ContextualJudgeBench, a judge benchmark with 2,000 challenging response pairs across eight splits inspired by real-world contextual evaluation scenarios. We build our benchmark with a multi-pronged data construction pipeline that leverages both existing human annotations and model-based perturbations. Our comprehensive study across 11 judge models and 9 general purpose models, reveals that the contextual information and its assessment criteria present a significant challenge to even state-of-the-art models. For example, OpenAI's o1, the best-performing model, barely reaches 55% consistent accuracy.

Convolutional Neural Networks (CNN) are known to exhibit poor generalization performance under distribution shifts. Their generalization have been studied extensively, and one line of work approaches the problem from a frequency-centric perspective. These studies highlight the fact that humans and CNNs might focus on different frequency components of an image. First, inspired by these observations, we propose a simple yet effective data augmentation method HybridAugment that reduces the reliance of CNNs on high-frequency components, and thus improves their robustness while keeping their clean accuracy high. Second, we propose HybridAugment++, which is a hierarchical augmentation method that attempts to unify various frequency-spectrum augmentations. HybridAugment++ builds on HybridAugment, and also reduces the reliance of CNNs on the amplitude component of images, and promotes phase information instead. This unification results in competitive to or better than state-of-the-art results on clean accuracy (CIFAR-10/100 and ImageNet), corruption benchmarks (ImageNet-C, CIFAR-10-C and CIFAR-100-C), adversarial robustness on CIFAR-10 and out-of-distribution detection on various datasets. HybridAugment and HybridAugment++ are implemented in a few lines of code, does not require extra data, ensemble models or additional networks.

Language model training in distributed settings is limited by the communication cost of gradient exchanges. In this short note, we extend recent work from Malladi et al. (2023), using shared randomness to perform distributed fine-tuning with low bandwidth. The method is a natural decentralized extension of memory-efficient Simultaneous Perturbation Stochastic Approximation (SPSA). Each iteration, each machine seeds a Random Number Generator (RNG) to perform local reproducible perturbations on model weights and calculate and exchange scalar projected gradients, which are then used to update each model. By using a (machine, sample) identifier as the random seed, each model can regenerate one another's perturbations. As machines only exchange single-byte projected gradients, this is highly communication efficient. There are also potential privacy benefits, as projected gradients may be calculated on different training data, and models never access the other's data. Our approach not only drastically reduces communication bandwidth requirements but also accommodates dynamic addition or removal of machines during the training process and retains the memory-efficient and inference-only advantages of recent work. We perform proof-of-concept experiments to demonstrate the potential usefulness of this method, building off of rich literature on distributed optimization and memory-efficient training.

Training a high-performance deep neural network requires large amounts of data and computational resources. Protecting the intellectual property (IP) and commercial ownership of a deep model is challenging yet increasingly crucial. A major stream of watermarking strategies implants verifiable backdoor triggers by poisoning training samples, but these are often unrealistic due to data privacy and safety concerns and are vulnerable to minor model changes such as fine-tuning. To overcome these challenges, we propose a safe and robust backdoor-based watermark injection technique that leverages the diverse knowledge from a single out-of-distribution (OoD) image, which serves as a secret key for IP verification. The independence of training data makes it agnostic to third-party promises of IP security. We induce robustness via random perturbation of model parameters during watermark injection to defend against common watermark removal attacks, including fine-tuning, pruning, and model extraction. Our experimental results demonstrate that the proposed watermarking approach is not only time- and sample-efficient without training data, but also robust against the watermark removal attacks above.

Diffusion models have emerged as a powerful tool for generating high-quality images, videos, and 3D content. While sampling guidance techniques like CFG improve quality, they reduce diversity and motion. Autoguidance mitigates these issues but demands extra weak model training, limiting its practicality for large-scale models. In this work, we introduce Spatiotemporal Skip Guidance (STG), a simple training-free sampling guidance method for enhancing transformer-based video diffusion models. STG employs an implicit weak model via self-perturbation, avoiding the need for external models or additional training. By selectively skipping spatiotemporal layers, STG produces an aligned, degraded version of the original model to boost sample quality without compromising diversity or dynamic degree. Our contributions include: (1) introducing STG as an efficient, high-performing guidance technique for video diffusion models, (2) eliminating the need for auxiliary models by simulating a weak model through layer skipping, and (3) ensuring quality-enhanced guidance without compromising sample diversity or dynamics unlike CFG. For additional results, visit https://junhahyung.github.io/STGuidance.

Recent work found that LLMs are sensitive to a wide range of arbitrary prompt dimensions, including the type of delimiters, answer enumerators, instruction wording, and more. This throws into question popular single-prompt evaluation practices. We present DOVE (Dataset Of Variation Evaluation) a large-scale dataset containing prompt perturbations of various evaluation benchmarks. In contrast to previous work, we examine LLM sensitivity from an holistic perspective, and assess the joint effects of perturbations along various dimensions, resulting in thousands of perturbations per instance. We evaluate several model families against DOVE, leading to several findings, including efficient methods for choosing well-performing prompts, observing that few-shot examples reduce sensitivity, and identifying instances which are inherently hard across all perturbations. DOVE consists of more than 250M prompt perturbations and model outputs, which we make publicly available to spur a community-wide effort toward meaningful, robust, and efficient evaluation. Browse the data, contribute, and more: https://slab-nlp.github.io/DOVE/

Numerous diffusion models have recently been applied to image synthesis and editing. However, editing 3D scenes is still in its early stages. It poses various challenges, such as the requirement to design specific methods for different editing types, retraining new models for various 3D scenes, and the absence of convenient human interaction during editing. To tackle these issues, we introduce a text-driven editing method, termed DN2N, which allows for the direct acquisition of a NeRF model with universal editing capabilities, eliminating the requirement for retraining. Our method employs off-the-shelf text-based editing models of 2D images to modify the 3D scene images, followed by a filtering process to discard poorly edited images that disrupt 3D consistency. We then consider the remaining inconsistency as a problem of removing noise perturbation, which can be solved by generating training data with similar perturbation characteristics for training. We further propose cross-view regularization terms to help the generalized NeRF model mitigate these perturbations. Our text-driven method allows users to edit a 3D scene with their desired description, which is more friendly, intuitive, and practical than prior works. Empirical results show that our method achieves multiple editing types, including but not limited to appearance editing, weather transition, material changing, and style transfer. Most importantly, our method generalizes well with editing abilities shared among a set of model parameters without requiring a customized editing model for some specific scenes, thus inferring novel views with editing effects directly from user input. The project website is available at https://sk-fun.fun/DN2N

Modern recommender systems may output considerably different recommendations due to small perturbations in the training data. Changes in the data from a single user will alter the recommendations as well as the recommendations of other users. In applications like healthcare, housing, and finance, this sensitivity can have adverse effects on user experience. We propose a method to stabilize a given recommender system against such perturbations. This is a challenging task due to (1) the lack of a ``reference'' rank list that can be used to anchor the outputs; and (2) the computational challenges in ensuring the stability of rank lists with respect to all possible perturbations of training data. Our method, FINEST, overcomes these challenges by obtaining reference rank lists from a given recommendation model and then fine-tuning the model under simulated perturbation scenarios with rank-preserving regularization on sampled items. Our experiments on real-world datasets demonstrate that FINEST can ensure that recommender models output stable recommendations under a wide range of different perturbations without compromising next-item prediction accuracy.

Deep ensembles (DE) have been successful in improving model performance by learning diverse members via the stochasticity of random initialization. While recent works have attempted to promote further diversity in DE via hyperparameters or regularizing loss functions, these methods primarily still rely on a stochastic approach to explore the hypothesis space. In this work, we present Multi-Symmetry Ensembles (MSE), a framework for constructing diverse ensembles by capturing the multiplicity of hypotheses along symmetry axes, which explore the hypothesis space beyond stochastic perturbations of model weights and hyperparameters. We leverage recent advances in contrastive representation learning to create models that separately capture opposing hypotheses of invariant and equivariant functional classes and present a simple ensembling approach to efficiently combine appropriate hypotheses for a given task. We show that MSE effectively captures the multiplicity of conflicting hypotheses that is often required in large, diverse datasets like ImageNet. As a result of their inherent diversity, MSE improves classification performance, uncertainty quantification, and generalization across a series of transfer tasks.

For safety-related applications, it is crucial to produce trustworthy deep neural networks whose prediction is associated with confidence that can represent the likelihood of correctness for subsequent decision-making. Existing dense binary classification models are prone to being over-confident. To improve model calibration, we propose Adaptive Stochastic Label Perturbation (ASLP) which learns a unique label perturbation level for each training image. ASLP employs our proposed Self-Calibrating Binary Cross Entropy (SC-BCE) loss, which unifies label perturbation processes including stochastic approaches (like DisturbLabel), and label smoothing, to correct calibration while maintaining classification rates. ASLP follows Maximum Entropy Inference of classic statistical mechanics to maximise prediction entropy with respect to missing information. It performs this while: (1) preserving classification accuracy on known data as a conservative solution, or (2) specifically improves model calibration degree by minimising the gap between the prediction accuracy and expected confidence of the target training label. Extensive results demonstrate that ASLP can significantly improve calibration degrees of dense binary classification models on both in-distribution and out-of-distribution data. The code is available on https://github.com/Carlisle-Liu/ASLP.

Robustness to adversarial attack is typically evaluated with adversarial accuracy. This metric quantifies the number of points for which, given a threat model, successful adversarial perturbations cannot be found. While essential, this metric does not capture all aspects of robustness and in particular leaves out the question of how many perturbations can be found for each point. In this work we introduce an alternative approach, adversarial sparsity, which quantifies how difficult it is to find a successful perturbation given both an input point and a constraint on the direction of the perturbation. This constraint may be angular (L2 perturbations), or based on the number of pixels (Linf perturbations). We show that sparsity provides valuable insight on neural networks in multiple ways. analyzing the sparsity of existing robust models illustrates important differences between them that accuracy analysis does not, and suggests approaches for improving their robustness. When applying broken defenses effective against weak attacks but not strong ones, sparsity can discriminate between the totally ineffective and the partially effective defenses. Finally, with sparsity we can measure increases in robustness that do not affect accuracy: we show for example that data augmentation can by itself increase adversarial robustness, without using adversarial training.

Large language models (LLMs) are typically aligned to be harmless to humans. Unfortunately, recent work has shown that such models are susceptible to automated jailbreak attacks that induce them to generate harmful content. More recent LLMs often incorporate an additional layer of defense, a Guard Model, which is a second LLM that is designed to check and moderate the output response of the primary LLM. Our key contribution is to show a novel attack strategy, PRP, that is successful against several open-source (e.g., Llama 2) and closed-source (e.g., GPT 3.5) implementations of Guard Models. PRP leverages a two step prefix-based attack that operates by (a) constructing a universal adversarial prefix for the Guard Model, and (b) propagating this prefix to the response. We find that this procedure is effective across multiple threat models, including ones in which the adversary has no access to the Guard Model at all. Our work suggests that further advances are required on defenses and Guard Models before they can be considered effective.

Deep learning offers state of the art solutions for image recognition. However, deep models are vulnerable to adversarial perturbations in images that are subtle but significantly change the model's prediction. In a white-box attack, these perturbations are generally learned for deep models that operate on RGB images and, hence, the perturbations are equally distributed in the RGB color space. In this paper, we show that the adversarial perturbations prevail in the Y-channel of the YCbCr space. Our finding is motivated from the fact that the human vision and deep models are more responsive to shape and texture rather than color. Based on our finding, we propose a defense against adversarial images. Our defence, coined ResUpNet, removes perturbations only from the Y-channel by exploiting ResNet features in an upsampling framework without the need for a bottleneck. At the final stage, the untouched CbCr-channels are combined with the refined Y-channel to restore the clean image. Note that ResUpNet is model agnostic as it does not modify the DNN structure. ResUpNet is trained end-to-end in Pytorch and the results are compared to existing defence techniques in the input transformation category. Our results show that our approach achieves the best balance between defence against adversarial attacks such as FGSM, PGD and DDN and maintaining the original accuracies of VGG-16, ResNet50 and DenseNet121 on clean images. We perform another experiment to show that learning adversarial perturbations only for the Y-channel results in higher fooling rates for the same perturbation magnitude.

Training deep neural networks for classification often includes minimizing the training loss beyond the zero training error point. In this phase of training, a "neural collapse" behavior has been observed: the variability of features (outputs of the penultimate layer) of within-class samples decreases and the mean features of different classes approach a certain tight frame structure. Recent works analyze this behavior via idealized unconstrained features models where all the minimizers exhibit exact collapse. However, with practical networks and datasets, the features typically do not reach exact collapse, e.g., because deep layers cannot arbitrarily modify intermediate features that are far from being collapsed. In this paper, we propose a richer model that can capture this phenomenon by forcing the features to stay in the vicinity of a predefined features matrix (e.g., intermediate features). We explore the model in the small vicinity case via perturbation analysis and establish results that cannot be obtained by the previously studied models. For example, we prove reduction in the within-class variability of the optimized features compared to the predefined input features (via analyzing gradient flow on the "central-path" with minimal assumptions), analyze the minimizers in the near-collapse regime, and provide insights on the effect of regularization hyperparameters on the closeness to collapse. We support our theory with experiments in practical deep learning settings.

Discrete adversarial attacks are symbolic perturbations to a language input that preserve the output label but lead to a prediction error. While such attacks have been extensively explored for the purpose of evaluating model robustness, their utility for improving robustness has been limited to offline augmentation only. Concretely, given a trained model, attacks are used to generate perturbed (adversarial) examples, and the model is re-trained exactly once. In this work, we address this gap and leverage discrete attacks for online augmentation, where adversarial examples are generated at every training step, adapting to the changing nature of the model. We propose (i) a new discrete attack, based on best-first search, and (ii) random sampling attacks that unlike prior work are not based on expensive search-based procedures. Surprisingly, we find that random sampling leads to impressive gains in robustness, outperforming the commonly-used offline augmentation, while leading to a speedup at training time of ~10x. Furthermore, online augmentation with search-based attacks justifies the higher training cost, significantly improving robustness on three datasets. Last, we show that our new attack substantially improves robustness compared to prior methods.

To mitigate the privacy leakages and communication burdens of Federated Learning (FL), decentralized FL (DFL) discards the central server and each client only communicates with its neighbors in a decentralized communication network. However, existing DFL suffers from high inconsistency among local clients, which results in severe distribution shift and inferior performance compared with centralized FL (CFL), especially on heterogeneous data or sparse communication topology. To alleviate this issue, we propose two DFL algorithms named DFedSAM and DFedSAM-MGS to improve the performance of DFL. Specifically, DFedSAM leverages gradient perturbation to generate local flat models via Sharpness Aware Minimization (SAM), which searches for models with uniformly low loss values. DFedSAM-MGS further boosts DFedSAM by adopting Multiple Gossip Steps (MGS) for better model consistency, which accelerates the aggregation of local flat models and better balances communication complexity and generalization. Theoretically, we present improved convergence rates small Obig(1{KT}+1{T}+1{K^{1/2}T^{3/2}(1-lambda)^2}big) and small Obig(1{KT}+1{T}+lambda^Q+1{K^{1/2}T^{3/2}(1-lambda^Q)^2}big) in non-convex setting for DFedSAM and DFedSAM-MGS, respectively, where 1-lambda is the spectral gap of gossip matrix and Q is the number of MGS. Empirically, our methods can achieve competitive performance compared with CFL methods and outperform existing DFL methods.

Although reward models have been successful in improving multimodal large language models, the reward models themselves remain brutal and contain minimal information. Notably, existing reward models only mimic human annotations by assigning only one binary feedback to any text, no matter how long the text is. In the realm of multimodal language models, where models are required to process both images and texts, a naive reward model may learn implicit biases toward texts and become less grounded in images. In this paper, we propose a Token-Level Detective Reward Model (TLDR) to provide fine-grained annotations to each text token. We first introduce a perturbation-based method to generate synthetic hard negatives and their token-level labels to train TLDR models. Then we show the rich usefulness of TLDR models both in assisting off-the-shelf models to self-correct their generations, and in serving as a hallucination evaluation tool. Finally, we show that TLDR models can significantly speed up human annotation by 3 times to acquire a broader range of high-quality vision language data.

Robustness is essential for deep neural networks, especially in security-sensitive applications. To this end, randomized smoothing provides theoretical guarantees for certifying robustness against adversarial perturbations. Recently, diffusion models have been successfully employed for randomized smoothing to purify noise-perturbed samples before making predictions with a standard classifier. While these methods excel at small perturbation radii, they struggle with larger perturbations and incur a significant computational overhead during inference compared to classical methods. To address this, we reformulate the generative modeling task along the diffusion trajectories in pixel space as a discriminative task in the latent space. Specifically, we use instance discrimination to achieve consistent representations along the trajectories by aligning temporally adjacent points. After fine-tuning based on the learned representations, our model enables implicit denoising-then-classification via a single prediction, substantially reducing inference costs. We conduct extensive experiments on various datasets and achieve state-of-the-art performance with minimal computation budget during inference. For example, our method outperforms the certified accuracy of diffusion-based methods on ImageNet across all perturbation radii by 5.3% on average, with up to 11.6% at larger radii, while reducing inference costs by 85times on average. Codes are available at: https://github.com/jiachenlei/rRCM.

Previous work has shown that well-crafted adversarial perturbations can threaten the security of video recognition systems. Attackers can invade such models with a low query budget when the perturbations are semantic-invariant, such as StyleFool. Despite the query efficiency, the naturalness of the minutia areas still requires amelioration, since StyleFool leverages style transfer to all pixels in each frame. To close the gap, we propose LocalStyleFool, an improved black-box video adversarial attack that superimposes regional style-transfer-based perturbations on videos. Benefiting from the popularity and scalably usability of Segment Anything Model (SAM), we first extract different regions according to semantic information and then track them through the video stream to maintain the temporal consistency. Then, we add style-transfer-based perturbations to several regions selected based on the associative criterion of transfer-based gradient information and regional area. Perturbation fine adjustment is followed to make stylized videos adversarial. We demonstrate that LocalStyleFool can improve both intra-frame and inter-frame naturalness through a human-assessed survey, while maintaining competitive fooling rate and query efficiency. Successful experiments on the high-resolution dataset also showcase that scrupulous segmentation of SAM helps to improve the scalability of adversarial attacks under high-resolution data.

Large Language Model (LLM) leaderboards based on benchmark rankings are regularly used to guide practitioners in model selection. Often, the published leaderboard rankings are taken at face value - we show this is a (potentially costly) mistake. Under existing leaderboards, the relative performance of LLMs is highly sensitive to (often minute) details. We show that for popular multiple choice question benchmarks (e.g. MMLU) minor perturbations to the benchmark, such as changing the order of choices or the method of answer selection, result in changes in rankings up to 8 positions. We explain this phenomenon by conducting systematic experiments over three broad categories of benchmark perturbations and identifying the sources of this behavior. Our analysis results in several best-practice recommendations, including the advantage of a hybrid scoring method for answer selection. Our study highlights the dangers of relying on simple benchmark evaluations and charts the path for more robust evaluation schemes on the existing benchmarks.

Model adaptation aims at solving the domain transfer problem under the constraint of only accessing the pretrained source models. With the increasing considerations of data privacy and transmission efficiency, this paradigm has been gaining recent popularity. This paper studies the vulnerability to universal attacks transferred from the source domain during model adaptation algorithms due to the existence of the malicious providers. We explore both universal adversarial perturbations and backdoor attacks as loopholes on the source side and discover that they still survive in the target models after adaptation. To address this issue, we propose a model preprocessing framework, named AdaptGuard, to improve the security of model adaptation algorithms. AdaptGuard avoids direct use of the risky source parameters through knowledge distillation and utilizes the pseudo adversarial samples under adjusted radius to enhance the robustness. AdaptGuard is a plug-and-play module that requires neither robust pretrained models nor any changes for the following model adaptation algorithms. Extensive results on three commonly used datasets and two popular adaptation methods validate that AdaptGuard can effectively defend against universal attacks and maintain clean accuracy in the target domain simultaneously. We hope this research will shed light on the safety and robustness of transfer learning.

Single-cell transcriptomics enabled the study of cellular heterogeneity in response to perturbations at the resolution of individual cells. However, scaling high-throughput screens (HTSs) to measure cellular responses for many drugs remains a challenge due to technical limitations and, more importantly, the cost of such multiplexed experiments. Thus, transferring information from routinely performed bulk RNA HTS is required to enrich single-cell data meaningfully. We introduce chemCPA, a new encoder-decoder architecture to study the perturbational effects of unseen drugs. We combine the model with an architecture surgery for transfer learning and demonstrate how training on existing bulk RNA HTS datasets can improve generalisation performance. Better generalisation reduces the need for extensive and costly screens at single-cell resolution. We envision that our proposed method will facilitate more efficient experiment designs through its ability to generate in-silico hypotheses, ultimately accelerating drug discovery.

Although attention mechanisms have been applied to a variety of deep learning models and have been shown to improve the prediction performance, it has been reported to be vulnerable to perturbations to the mechanism. To overcome the vulnerability to perturbations in the mechanism, we are inspired by adversarial training (AT), which is a powerful regularization technique for enhancing the robustness of the models. In this paper, we propose a general training technique for natural language processing tasks, including AT for attention (Attention AT) and more interpretable AT for attention (Attention iAT). The proposed techniques improved the prediction performance and the model interpretability by exploiting the mechanisms with AT. In particular, Attention iAT boosts those advantages by introducing adversarial perturbation, which enhances the difference in the attention of the sentences. Evaluation experiments with ten open datasets revealed that AT for attention mechanisms, especially Attention iAT, demonstrated (1) the best performance in nine out of ten tasks and (2) more interpretable attention (i.e., the resulting attention correlated more strongly with gradient-based word importance) for all tasks. Additionally, the proposed techniques are (3) much less dependent on perturbation size in AT. Our code is available at https://github.com/shunk031/attention-meets-perturbation

Vision-Language Pre-training (VLP) models have exhibited unprecedented capability in many applications by taking full advantage of the multimodal alignment. However, previous studies have shown they are vulnerable to maliciously crafted adversarial samples. Despite recent success, these methods are generally instance-specific and require generating perturbations for each input sample. In this paper, we reveal that VLP models are also vulnerable to the instance-agnostic universal adversarial perturbation (UAP). Specifically, we design a novel Contrastive-training Perturbation Generator with Cross-modal conditions (C-PGC) to achieve the attack. In light that the pivotal multimodal alignment is achieved through the advanced contrastive learning technique, we devise to turn this powerful weapon against themselves, i.e., employ a malicious version of contrastive learning to train the C-PGC based on our carefully crafted positive and negative image-text pairs for essentially destroying the alignment relationship learned by VLP models. Besides, C-PGC fully utilizes the characteristics of Vision-and-Language (V+L) scenarios by incorporating both unimodal and cross-modal information as effective guidance. Extensive experiments show that C-PGC successfully forces adversarial samples to move away from their original area in the VLP model's feature space, thus essentially enhancing attacks across various victim models and V+L tasks. The GitHub repository is available at https://github.com/ffhibnese/CPGC_VLP_Universal_Attacks.

Deep Learning of neural networks has gained prominence in multiple life-critical applications like medical diagnoses and autonomous vehicle accident investigations. However, concerns about model transparency and biases persist. Explainable methods are viewed as the solution to address these challenges. In this study, we introduce the Occlusion Sensitivity Analysis with Deep Feature Augmentation Subspace (OSA-DAS), a novel perturbation-based interpretability approach for computer vision. While traditional perturbation methods make only use of occlusions to explain the model predictions, OSA-DAS extends standard occlusion sensitivity analysis by enabling the integration with diverse image augmentations. Distinctly, our method utilizes the output vector of a DNN to build low-dimensional subspaces within the deep feature vector space, offering a more precise explanation of the model prediction. The structural similarity between these subspaces encompasses the influence of diverse augmentations and occlusions. We test extensively on the ImageNet-1k, and our class- and model-agnostic approach outperforms commonly used interpreters, setting it apart in the realm of explainable AI.

Domain generalization (DG) aims to learn a robust model from source domains that generalize well on unseen target domains. Recent studies focus on generating novel domain samples or features to diversify distributions complementary to source domains. Yet, these approaches can hardly deal with the restriction that the samples synthesized from various domains can cause semantic distortion. In this paper, we propose an online one-stage Cross Contrasting Feature Perturbation (CCFP) framework to simulate domain shift by generating perturbed features in the latent space while regularizing the model prediction against domain shift. Different from the previous fixed synthesizing strategy, we design modules with learnable feature perturbations and semantic consistency constraints. In contrast to prior work, our method does not use any generative-based models or domain labels. We conduct extensive experiments on a standard DomainBed benchmark with a strict evaluation protocol for a fair comparison. Comprehensive experiments show that our method outperforms the previous state-of-the-art, and quantitative analyses illustrate that our approach can alleviate the domain shift problem in out-of-distribution (OOD) scenarios.

Adversarial purification is a defense mechanism for safeguarding classifiers against adversarial attacks without knowing the type of attacks or training of the classifier. These techniques characterize and eliminate adversarial perturbations from the attacked inputs, aiming to restore purified samples that retain similarity to the initially attacked ones and are correctly classified by the classifier. Due to the inherent challenges associated with characterizing noise perturbations for discrete inputs, adversarial text purification has been relatively unexplored. In this paper, we investigate the effectiveness of adversarial purification methods in defending text classifiers. We propose a novel adversarial text purification that harnesses the generative capabilities of Large Language Models (LLMs) to purify adversarial text without the need to explicitly characterize the discrete noise perturbations. We utilize prompt engineering to exploit LLMs for recovering the purified examples for given adversarial examples such that they are semantically similar and correctly classified. Our proposed method demonstrates remarkable performance over various classifiers, improving their accuracy under the attack by over 65% on average.

Explaining multivariate time series is a compound challenge, as it requires identifying important locations in the time series and matching complex temporal patterns. Although previous saliency-based methods addressed the challenges, their perturbation may not alleviate the distribution shift issue, which is inevitable especially in heterogeneous samples. We present ContraLSP, a locally sparse model that introduces counterfactual samples to build uninformative perturbations but keeps distribution using contrastive learning. Furthermore, we incorporate sample-specific sparse gates to generate more binary-skewed and smooth masks, which easily integrate temporal trends and select the salient features parsimoniously. Empirical studies on both synthetic and real-world datasets show that ContraLSP outperforms state-of-the-art models, demonstrating a substantial improvement in explanation quality for time series data. The source code is available at https://github.com/zichuan-liu/ContraLSP.

Recently, sequence-to-sequence (seq2seq) models with the Transformer architecture have achieved remarkable performance on various conditional text generation tasks, such as machine translation. However, most of them are trained with teacher forcing with the ground truth label given at each time step, without being exposed to incorrectly generated tokens during training, which hurts its generalization to unseen inputs, that is known as the "exposure bias" problem. In this work, we propose to mitigate the conditional text generation problem by contrasting positive pairs with negative pairs, such that the model is exposed to various valid or incorrect perturbations of the inputs, for improved generalization. However, training the model with naive contrastive learning framework using random non-target sequences as negative examples is suboptimal, since they are easily distinguishable from the correct output, especially so with models pretrained with large text corpora. Also, generating positive examples requires domain-specific augmentation heuristics which may not generalize over diverse domains. To tackle this problem, we propose a principled method to generate positive and negative samples for contrastive learning of seq2seq models. Specifically, we generate negative examples by adding small perturbations to the input sequence to minimize its conditional likelihood, and positive examples by adding large perturbations while enforcing it to have a high conditional likelihood. Such "hard" positive and negative pairs generated using our method guides the model to better distinguish correct outputs from incorrect ones. We empirically show that our proposed method significantly improves the generalization of the seq2seq on three text generation tasks - machine translation, text summarization, and question generation.

Fine-tuning pre-trained language models (LMs) has become the de facto standard in many NLP tasks. Nevertheless, fine-tuned LMs are still prone to robustness issues, such as adversarial robustness and model calibration. Several perspectives of robustness for LMs have been studied independently, but lacking a unified consideration in multiple perspectives. In this paper, we propose Robustifying LMs via Adversarial perturbation with Selective Training (RoAST), a simple yet effective fine-tuning technique to enhance the multi-perspective robustness of LMs in a unified way. RoAST effectively incorporates two important sources for the model robustness, robustness on the perturbed inputs and generalizable knowledge in pre-trained LMs. To be specific, RoAST introduces adversarial perturbation during fine-tuning while the model parameters are selectively updated upon their relative importance to minimize unnecessary deviation. Under a unified evaluation of fine-tuned LMs by incorporating four representative perspectives of model robustness, we demonstrate the effectiveness of RoAST compared to state-of-the-art fine-tuning methods on six different types of LMs, which indicates its usefulness in practice.

Harmful fine-tuning issue qi2023fine poses serious safety concerns for Large language models' fine-tuning-as-a-service. While existing defenses huang2024vaccine,rosati2024representation have been proposed to mitigate the issue, their performances are still far away from satisfactory, and the root cause of the problem has not been fully recovered. For the first time in the literature, we in this paper show that harmful perturbation over the model weights should be the root cause of alignment-broken of harmful fine-tuning. In order to attenuate the negative impact of harmful perturbation, we propose an alignment-stage solution, dubbed Booster. Technically, along with the original alignment loss, we append a loss regularizer in the alignment stage's optimization. The regularizer ensures that the model's harmful loss reduction before/after simulated harmful perturbation is attenuated, thereby mitigating the subsequent fine-tuning risk. Empirical results show that Booster can effectively reduce the harmful score of the fine-tuned models while maintaining the performance of downstream tasks. Our code is available at https://github.com/git-disl/Booster.

The pre-trained vision and language (V\&L) models have substantially improved the performance of cross-modal image-text retrieval. In general, however, V\&L models have limited retrieval performance for small objects because of the rough alignment between words and the small objects in the image. In contrast, it is known that human cognition is object-centric, and we pay more attention to important objects, even if they are small. To bridge this gap between the human cognition and the V\&L model's capability, we propose a cross-modal image-text retrieval framework based on ``object-aware query perturbation.'' The proposed method generates a key feature subspace of the detected objects and perturbs the corresponding queries using this subspace to improve the object awareness in the image. In our proposed method, object-aware cross-modal image-text retrieval is possible while keeping the rich expressive power and retrieval performance of existing V\&L models without additional fine-tuning. Comprehensive experiments on four public datasets show that our method outperforms conventional algorithms.

Deepfake has recently raised a plethora of societal concerns over its possible security threats and dissemination of fake information. Much research on deepfake detection has been undertaken. However, detecting low quality as well as simultaneously detecting different qualities of deepfakes still remains a grave challenge. Most SOTA approaches are limited by using a single specific model for detecting certain deepfake video quality type. When constructing multiple models with prior information about video quality, this kind of strategy incurs significant computational cost, as well as model and training data overhead. Further, it cannot be scalable and practical to deploy in real-world settings. In this work, we propose a universal intra-model collaborative learning framework to enable the effective and simultaneous detection of different quality of deepfakes. That is, our approach is the quality-agnostic deepfake detection method, dubbed QAD . In particular, by observing the upper bound of general error expectation, we maximize the dependency between intermediate representations of images from different quality levels via Hilbert-Schmidt Independence Criterion. In addition, an Adversarial Weight Perturbation module is carefully devised to enable the model to be more robust against image corruption while boosting the overall model's performance. Extensive experiments over seven popular deepfake datasets demonstrate the superiority of our QAD model over prior SOTA benchmarks.

In this paper we introduce a novel, unified, open-source model interpretability library for PyTorch [12]. The library contains generic implementations of a number of gradient and perturbation-based attribution algorithms, also known as feature, neuron and layer importance algorithms, as well as a set of evaluation metrics for these algorithms. It can be used for both classification and non-classification models including graph-structured models built on Neural Networks (NN). In this paper we give a high-level overview of supported attribution algorithms and show how to perform memory-efficient and scalable computations. We emphasize that the three main characteristics of the library are multimodality, extensibility and ease of use. Multimodality supports different modality of inputs such as image, text, audio or video. Extensibility allows adding new algorithms and features. The library is also designed for easy understanding and use. Besides, we also introduce an interactive visualization tool called Captum Insights that is built on top of Captum library and allows sample-based model debugging and visualization using feature importance metrics.

The rapid development of AI systems has been greatly influenced by the emergence of foundation models. A common approach for targeted problems involves fine-tuning these pre-trained foundation models for specific target tasks, resulting in a rapid spread of models fine-tuned across a diverse array of tasks. This work focuses on the problem of merging multiple fine-tunings of the same foundation model derived from a spectrum of auxiliary tasks. We introduce a new simple method, Model Breadcrumbs, which consists of a sparsely defined set of weights that carve out a trajectory within the weight space of a pre-trained model, enhancing task performance when traversed. These breadcrumbs are constructed by subtracting the weights from a pre-trained model before and after fine-tuning, followed by a sparsification process that eliminates weight outliers and negligible perturbations. Our experiments demonstrate the effectiveness of Model Breadcrumbs to simultaneously improve performance across multiple tasks. This contribution aligns with the evolving paradigm of updatable machine learning, reminiscent of the collaborative principles underlying open-source software development, fostering a community-driven effort to reliably update machine learning models. Our method is shown to be more efficient and unlike previous proposals does not require hyperparameter tuning for each new task added. Through extensive experimentation involving various models, tasks, and modalities we establish that integrating Model Breadcrumbs offers a simple, efficient, and highly effective approach for constructing multi-task models and facilitating updates to foundation models.

Multimodal Language Models (MMLMs) typically undergo post-training alignment to prevent harmful content generation. However, these alignment stages focus primarily on the assistant role, leaving the user role unaligned, and stick to a fixed input prompt structure of special tokens, leaving the model vulnerable when inputs deviate from these expectations. We introduce Role-Modality Attacks (RMA), a novel class of adversarial attacks that exploit role confusion between the user and assistant and alter the position of the image token to elicit harmful outputs. Unlike existing attacks that modify query content, RMAs manipulate the input structure without altering the query itself. We systematically evaluate these attacks across multiple Vision Language Models (VLMs) on eight distinct settings, showing that they can be composed to create stronger adversarial prompts, as also evidenced by their increased projection in the negative refusal direction in the residual stream, a property observed in prior successful attacks. Finally, for mitigation, we propose an adversarial training approach that makes the model robust against input prompt perturbations. By training the model on a range of harmful and benign prompts all perturbed with different RMA settings, it loses its sensitivity to Role Confusion and Modality Manipulation attacks and is trained to only pay attention to the content of the query in the input prompt structure, effectively reducing Attack Success Rate (ASR) while preserving the model's general utility.

The widespread use of large language models (LLMs) has sparked concerns about the potential misuse of AI-generated text, as these models can produce content that closely resembles human-generated text. Current detectors for AI-generated text (AIGT) lack robustness against adversarial perturbations, with even minor changes in characters or words causing a reversal in distinguishing between human-created and AI-generated text. This paper investigates the robustness of existing AIGT detection methods and introduces a novel detector, the Siamese Calibrated Reconstruction Network (SCRN). The SCRN employs a reconstruction network to add and remove noise from text, extracting a semantic representation that is robust to local perturbations. We also propose a siamese calibration technique to train the model to make equally confidence predictions under different noise, which improves the model's robustness against adversarial perturbations. Experiments on four publicly available datasets show that the SCRN outperforms all baseline methods, achieving 6.5\%-18.25\% absolute accuracy improvement over the best baseline method under adversarial attacks. Moreover, it exhibits superior generalizability in cross-domain, cross-genre, and mixed-source scenarios. The code is available at https://github.com/CarlanLark/Robust-AIGC-Detector.

The rapid advances in generative AI models have empowered the creation of highly realistic images with arbitrary content, raising concerns about potential misuse and harm, such as Deepfakes. Current research focuses on training detectors using large datasets of generated images. However, these training-based solutions are often computationally expensive and show limited generalization to unseen generated images. In this paper, we propose a training-free method to distinguish between real and AI-generated images. We first observe that real images are more robust to tiny noise perturbations than AI-generated images in the representation space of vision foundation models. Based on this observation, we propose RIGID, a training-free and model-agnostic method for robust AI-generated image detection. RIGID is a simple yet effective approach that identifies whether an image is AI-generated by comparing the representation similarity between the original and the noise-perturbed counterpart. Our evaluation on a diverse set of AI-generated images and benchmarks shows that RIGID significantly outperforms existing trainingbased and training-free detectors. In particular, the average performance of RIGID exceeds the current best training-free method by more than 25%. Importantly, RIGID exhibits strong generalization across different image generation methods and robustness to image corruptions.

As language models (LMs) become increasingly powerful, it is important to quantify and compare them for sociodemographic bias with potential for harm. Prior bias measurement datasets are sensitive to perturbations in their manually designed templates, therefore unreliable. To achieve reliability, we introduce the Comprehensive Assessment of Language Model bias (CALM), a benchmark dataset to quantify bias in LMs across three tasks. We integrate 16 existing datasets across different domains, such as Wikipedia and news articles, to filter 224 templates from which we construct a dataset of 78,400 examples. We compare the diversity of CALM with prior datasets on metrics such as average semantic similarity, and variation in template length, and test the sensitivity to small perturbations. We show that our dataset is more diverse and reliable than previous datasets, thus better capture the breadth of linguistic variation required to reliably evaluate model bias. We evaluate 20 large language models including six prominent families of LMs such as Llama-2. In two LM series, OPT and Bloom, we found that larger parameter models are more biased than lower parameter models. We found the T0 series of models to be the least biased. Furthermore, we noticed a tradeoff between gender and racial bias with increasing model size in some model series. The code is available at https://github.com/vipulgupta1011/CALM.

In recent years, NLP practitioners have converged on the following practice: (i) import an off-the-shelf pretrained (masked) language model; (ii) append a multilayer perceptron atop the CLS token's hidden representation (with randomly initialized weights); and (iii) fine-tune the entire model on a downstream task (MLP-FT). This procedure has produced massive gains on standard NLP benchmarks, but these models remain brittle, even to mild adversarial perturbations. In this work, we demonstrate surprising gains in adversarial robustness enjoyed by Model-tuning Via Prompts (MVP), an alternative method of adapting to downstream tasks. Rather than appending an MLP head to make output prediction, MVP appends a prompt template to the input, and makes prediction via text infilling/completion. Across 5 NLP datasets, 4 adversarial attacks, and 3 different models, MVP improves performance against adversarial substitutions by an average of 8% over standard methods and even outperforms adversarial training-based state-of-art defenses by 3.5%. By combining MVP with adversarial training, we achieve further improvements in adversarial robustness while maintaining performance on unperturbed examples. Finally, we conduct ablations to investigate the mechanism underlying these gains. Notably, we find that the main causes of vulnerability of MLP-FT can be attributed to the misalignment between pre-training and fine-tuning tasks, and the randomly initialized MLP parameters.

Backdoor attacks, which maliciously control a well-trained model's outputs of the instances with specific triggers, are recently shown to be serious threats to the safety of reusing deep neural networks (DNNs). In this work, we propose an efficient online defense mechanism based on robustness-aware perturbations. Specifically, by analyzing the backdoor training process, we point out that there exists a big gap of robustness between poisoned and clean samples. Motivated by this observation, we construct a word-based robustness-aware perturbation to distinguish poisoned samples from clean samples to defend against the backdoor attacks on natural language processing (NLP) models. Moreover, we give a theoretical analysis about the feasibility of our robustness-aware perturbation-based defense method. Experimental results on sentiment analysis and toxic detection tasks show that our method achieves better defending performance and much lower computational costs than existing online defense methods. Our code is available at https://github.com/lancopku/RAP.

Learning to reliably perceive and understand the scene is an integral enabler for robots to operate in the real-world. This problem is inherently challenging due to the multitude of object types as well as appearance changes caused by varying illumination and weather conditions. Leveraging complementary modalities can enable learning of semantically richer representations that are resilient to such perturbations. Despite the tremendous progress in recent years, most multimodal convolutional neural network approaches directly concatenate feature maps from individual modality streams rendering the model incapable of focusing only on relevant complementary information for fusion. To address this limitation, we propose a mutimodal semantic segmentation framework that dynamically adapts the fusion of modality-specific features while being sensitive to the object category, spatial location and scene context in a self-supervised manner. Specifically, we propose an architecture consisting of two modality-specific encoder streams that fuse intermediate encoder representations into a single decoder using our proposed self-supervised model adaptation fusion mechanism which optimally combines complementary features. As intermediate representations are not aligned across modalities, we introduce an attention scheme for better correlation. In addition, we propose a computationally efficient unimodal segmentation architecture termed AdapNet++ that incorporates a new encoder with multiscale residual units and an efficient atrous spatial pyramid pooling that has a larger effective receptive field with more than 10x fewer parameters, complemented with a strong decoder with a multi-resolution supervision scheme that recovers high-resolution details. Comprehensive empirical evaluations on several benchmarks demonstrate that both our unimodal and multimodal architectures achieve state-of-the-art performance.

Vision-Language Models (VLMs) extend the capabilities of Large Language Models (LLMs) by incorporating visual information, yet they remain vulnerable to jailbreak attacks, especially when processing noisy or corrupted images. Although existing VLMs adopt security measures during training to mitigate such attacks, vulnerabilities associated with noise-augmented visual inputs are overlooked. In this work, we identify that missing noise-augmented training causes critical security gaps: many VLMs are susceptible to even simple perturbations such as Gaussian noise. To address this challenge, we propose Robust-VLGuard, a multimodal safety dataset with aligned / misaligned image-text pairs, combined with noise-augmented fine-tuning that reduces attack success rates while preserving functionality of VLM. For stronger optimization-based visual perturbation attacks, we propose DiffPure-VLM, leveraging diffusion models to convert adversarial perturbations into Gaussian-like noise, which can be defended by VLMs with noise-augmented safety fine-tuning. Experimental results demonstrate that the distribution-shifting property of diffusion model aligns well with our fine-tuned VLMs, significantly mitigating adversarial perturbations across varying intensities. The dataset and code are available at https://github.com/JarvisUSTC/DiffPure-RobustVLM.

In this paper, we introduce an SE(3) diffusion model-based point cloud registration framework for 6D object pose estimation in real-world scenarios. Our approach formulates the 3D registration task as a denoising diffusion process, which progressively refines the pose of the source point cloud to obtain a precise alignment with the model point cloud. Training our framework involves two operations: An SE(3) diffusion process and an SE(3) reverse process. The SE(3) diffusion process gradually perturbs the optimal rigid transformation of a pair of point clouds by continuously injecting noise (perturbation transformation). By contrast, the SE(3) reverse process focuses on learning a denoising network that refines the noisy transformation step-by-step, bringing it closer to the optimal transformation for accurate pose estimation. Unlike standard diffusion models used in linear Euclidean spaces, our diffusion model operates on the SE(3) manifold. This requires exploiting the linear Lie algebra se(3) associated with SE(3) to constrain the transformation transitions during the diffusion and reverse processes. Additionally, to effectively train our denoising network, we derive a registration-specific variational lower bound as the optimization objective for model learning. Furthermore, we show that our denoising network can be constructed with a surrogate registration model, making our approach applicable to different deep registration networks. Extensive experiments demonstrate that our diffusion registration framework presents outstanding pose estimation performance on the real-world TUD-L, LINEMOD, and Occluded-LINEMOD datasets.

Large Language Models (LLMs) have been demonstrated effective for code generation. Due to the complexity and opacity of LLMs, little is known about how these models generate code. To deepen our understanding, we investigate whether LLMs attend to the same parts of a natural language description as human programmers during code generation. An analysis of five LLMs on a popular benchmark, HumanEval, revealed a consistent misalignment between LLMs' and programmers' attention. Furthermore, we found that there is no correlation between the code generation accuracy of LLMs and their alignment with human programmers. Through a quantitative experiment and a user study, we confirmed that, among twelve different attention computation methods, attention computed by the perturbation-based method is most aligned with human attention and is constantly favored by human programmers. Our findings highlight the need for human-aligned LLMs for better interpretability and programmer trust.

In recent years, graph representation learning has undergone a paradigm shift, driven by the emergence and proliferation of graph neural networks (GNNs) and their heterogeneous counterparts. Heterogeneous GNNs have shown remarkable success in extracting low-dimensional embeddings from complex graphs that encompass diverse entity types and relationships. While meta-path-based techniques have long been recognized for their ability to capture semantic affinities among nodes, their dependence on manual specification poses a significant limitation. In contrast, matrix-focused methods accelerate processing by utilizing structural cues but often overlook contextual richness. In this paper, we challenge the current paradigm by introducing ontology as a fundamental semantic primitive within complex graphs. Our goal is to integrate the strengths of both matrix-centric and meta-path-based approaches into a unified framework. We propose perturbation Ontology-based Graph Attention Networks (POGAT), a novel methodology that combines ontology subgraphs with an advanced self-supervised learning paradigm to achieve a deep contextual understanding. The core innovation of POGAT lies in our enhanced homogeneous perturbing scheme designed to generate rigorous negative samples, encouraging the model to explore minimal contextual features more thoroughly. Through extensive empirical evaluations, we demonstrate that POGAT significantly outperforms state-of-the-art baselines, achieving a groundbreaking improvement of up to 10.78\% in F1-score for the critical task of link prediction and 12.01\% in Micro-F1 for the critical task of node classification.

As Large Language Models (LLMs) are increasingly deployed in specialized domains with continuously evolving knowledge, the need for timely and precise knowledge injection has become essential. Fine-tuning with paraphrased data is a common approach to enhance knowledge injection, yet it faces two significant challenges: high computational costs due to repetitive external model usage and limited sample diversity. To this end, we introduce LaPael, a latent-level paraphrasing method that applies input-dependent noise to early LLM layers. This approach enables diverse and semantically consistent augmentations directly within the model. Furthermore, it eliminates the recurring costs of paraphrase generation for each knowledge update. Our extensive experiments on question-answering benchmarks demonstrate that LaPael improves knowledge injection over standard fine-tuning and existing noise-based approaches. Additionally, combining LaPael with data-level paraphrasing further enhances performance.

Deploying deep visual models can lead to performance drops due to the discrepancies between source and target distributions. Several approaches leverage labeled source data to estimate target domain accuracy, but accessing labeled source data is often prohibitively difficult due to data confidentiality or resource limitations on serving devices. Our work proposes a new framework to estimate model accuracy on unlabeled target data without access to source data. We investigate the feasibility of using pseudo-labels for accuracy estimation and evolve this idea into adopting recent advances in source-free domain adaptation algorithms. Our approach measures the disagreement rate between the source hypothesis and the target pseudo-labeling function, adapted from the source hypothesis. We mitigate the impact of erroneous pseudo-labels that may arise due to a high ideal joint hypothesis risk by employing adaptive adversarial perturbation on the input of the target model. Our proposed source-free framework effectively addresses the challenging distribution shift scenarios and outperforms existing methods requiring source data and labels for training.

Neural network calibration is an essential task in deep learning to ensure consistency between the confidence of model prediction and the true correctness likelihood. In this paper, we propose a new post-processing calibration method called Neural Clamping, which employs a simple joint input-output transformation on a pre-trained classifier via a learnable universal input perturbation and an output temperature scaling parameter. Moreover, we provide theoretical explanations on why Neural Clamping is provably better than temperature scaling. Evaluated on CIFAR-100 and ImageNet image recognition datasets and a variety of deep neural network models, our empirical results show that Neural Clamping significantly outperforms state-of-the-art post-processing calibration methods.

As machine learning algorithms are increasingly applied to high impact yet high risk tasks, such as medical diagnosis or autonomous driving, it is critical that researchers can explain how such algorithms arrived at their predictions. In recent years, a number of image saliency methods have been developed to summarize where highly complex neural networks "look" in an image for evidence for their predictions. However, these techniques are limited by their heuristic nature and architectural constraints. In this paper, we make two main contributions: First, we propose a general framework for learning different kinds of explanations for any black box algorithm. Second, we specialise the framework to find the part of an image most responsible for a classifier decision. Unlike previous works, our method is model-agnostic and testable because it is grounded in explicit and interpretable image perturbations.

Data augmentation (DA) is widely used to improve the generalization of neural networks by enforcing the invariances and symmetries to pre-defined transformations applied to input data. However, a fixed augmentation policy may have different effects on each sample in different training stages but existing approaches cannot adjust the policy to be adaptive to each sample and the training model. In this paper, we propose Model Adaptive Data Augmentation (MADAug) that jointly trains an augmentation policy network to teach the model when to learn what. Unlike previous work, MADAug selects augmentation operators for each input image by a model-adaptive policy varying between training stages, producing a data augmentation curriculum optimized for better generalization. In MADAug, we train the policy through a bi-level optimization scheme, which aims to minimize a validation-set loss of a model trained using the policy-produced data augmentations. We conduct an extensive evaluation of MADAug on multiple image classification tasks and network architectures with thorough comparisons to existing DA approaches. MADAug outperforms or is on par with other baselines and exhibits better fairness: it brings improvement to all classes and more to the difficult ones. Moreover, MADAug learned policy shows better performance when transferred to fine-grained datasets. In addition, the auto-optimized policy in MADAug gradually introduces increasing perturbations and naturally forms an easy-to-hard curriculum.

Machine learning has demonstrated remarkable performance over finite datasets, yet whether the scores over the fixed benchmarks can sufficiently indicate the model's performance in the real world is still in discussion. In reality, an ideal robust model will probably behave similarly to the oracle (e.g., the human users), thus a good evaluation protocol is probably to evaluate the models' behaviors in comparison to the oracle. In this paper, we introduce a new robustness measurement that directly measures the image classification model's performance compared with a surrogate oracle (i.e., a foundation model). Besides, we design a simple method that can accomplish the evaluation beyond the scope of the benchmarks. Our method extends the image datasets with new samples that are sufficiently perturbed to be distinct from the ones in the original sets, but are still bounded within the same image-label structure the original test image represents, constrained by a foundation model pretrained with a large amount of samples. As a result, our new method will offer us a new way to evaluate the models' robustness performance, free of limitations of fixed benchmarks or constrained perturbations, although scoped by the power of the oracle. In addition to the evaluation results, we also leverage our generated data to understand the behaviors of the model and our new evaluation strategies.

Large language models encode a vast amount of semantic knowledge and possess remarkable understanding and reasoning capabilities. Previous research has explored how to ground language models in robotic tasks to ensure that the sequences generated by the language model are both logically correct and practically executable. However, low-level execution may deviate from the high-level plan due to environmental perturbations or imperfect controller design. In this paper, we propose DoReMi, a novel language model grounding framework that enables immediate Detection and Recovery from Misalignments between plan and execution. Specifically, LLMs are leveraged for both planning and generating constraints for planned steps. These constraints can indicate plan-execution misalignments and we use a vision question answering (VQA) model to check constraints during low-level skill execution. If certain misalignment occurs, our method will call the language model to re-plan in order to recover from misalignments. Experiments on various complex tasks including robot arms and humanoid robots demonstrate that our method can lead to higher task success rates and shorter task completion times. Videos of DoReMi are available at https://sites.google.com/view/doremi-paper.

Numerous adversarial attack methods have been developed to generate imperceptible image perturbations that can cause erroneous predictions of state-of-the-art machine learning (ML) models, in particular, deep neural networks (DNNs). Despite intense research on adversarial attacks, little effort was made to uncover 'arcana' carried in adversarial attacks. In this work, we ask whether it is possible to infer data-agnostic victim model (VM) information (i.e., characteristics of the ML model or DNN used to generate adversarial attacks) from data-specific adversarial instances. We call this 'model parsing of adversarial attacks' - a task to uncover 'arcana' in terms of the concealed VM information in attacks. We approach model parsing via supervised learning, which correctly assigns classes of VM's model attributes (in terms of architecture type, kernel size, activation function, and weight sparsity) to an attack instance generated from this VM. We collect a dataset of adversarial attacks across 7 attack types generated from 135 victim models (configured by 5 architecture types, 3 kernel size setups, 3 activation function types, and 3 weight sparsity ratios). We show that a simple, supervised model parsing network (MPN) is able to infer VM attributes from unseen adversarial attacks if their attack settings are consistent with the training setting (i.e., in-distribution generalization assessment). We also provide extensive experiments to justify the feasibility of VM parsing from adversarial attacks, and the influence of training and evaluation factors in the parsing performance (e.g., generalization challenge raised in out-of-distribution evaluation). We further demonstrate how the proposed MPN can be used to uncover the source VM attributes from transfer attacks, and shed light on a potential connection between model parsing and attack transferability.

The problem of attribution is concerned with identifying the parts of an input that are responsible for a model's output. An important family of attribution methods is based on measuring the effect of perturbations applied to the input. In this paper, we discuss some of the shortcomings of existing approaches to perturbation analysis and address them by introducing the concept of extremal perturbations, which are theoretically grounded and interpretable. We also introduce a number of technical innovations to compute extremal perturbations, including a new area constraint and a parametric family of smooth perturbations, which allow us to remove all tunable hyper-parameters from the optimization problem. We analyze the effect of perturbations as a function of their area, demonstrating excellent sensitivity to the spatial properties of the deep neural network under stimulation. We also extend perturbation analysis to the intermediate layers of a network. This application allows us to identify the salient channels necessary for classification, which, when visualized using feature inversion, can be used to elucidate model behavior. Lastly, we introduce TorchRay, an interpretability library built on PyTorch.

Segment Anything (SAM), an advanced universal image segmentation model trained on an expansive visual dataset, has set a new benchmark in image segmentation and computer vision. However, it faced challenges when it came to distinguishing between shadows and their backgrounds. To address this, we developed Deshadow-Anything, considering the generalization of large-scale datasets, and we performed Fine-tuning on large-scale datasets to achieve image shadow removal. The diffusion model can diffuse along the edges and textures of an image, helping to remove shadows while preserving the details of the image. Furthermore, we design Multi-Self-Attention Guidance (MSAG) and adaptive input perturbation (DDPM-AIP) to accelerate the iterative training speed of diffusion. Experiments on shadow removal tasks demonstrate that these methods can effectively improve image restoration performance.

Deep neural networks are vulnerable to universal adversarial perturbation (UAP), an instance-agnostic perturbation capable of fooling the target model for most samples. Compared to instance-specific adversarial examples, UAP is more challenging as it needs to generalize across various samples and models. In this paper, we examine the serious dilemma of UAP generation methods from a generalization perspective -- the gradient vanishing problem using small-batch stochastic gradient optimization and the local optima problem using large-batch optimization. To address these problems, we propose a simple and effective method called Stochastic Gradient Aggregation (SGA), which alleviates the gradient vanishing and escapes from poor local optima at the same time. Specifically, SGA employs the small-batch training to perform multiple iterations of inner pre-search. Then, all the inner gradients are aggregated as a one-step gradient estimation to enhance the gradient stability and reduce quantization errors. Extensive experiments on the standard ImageNet dataset demonstrate that our method significantly enhances the generalization ability of UAP and outperforms other state-of-the-art methods. The code is available at https://github.com/liuxuannan/Stochastic-Gradient-Aggregation.

Adversarial detection aims to determine whether a given sample is an adversarial one based on the discrepancy between natural and adversarial distributions. Unfortunately, estimating or comparing two data distributions is extremely difficult, especially in high-dimension spaces. Recently, the gradient of log probability density (a.k.a., score) w.r.t. the sample is used as an alternative statistic to compute. However, we find that the score is sensitive in identifying adversarial samples due to insufficient information with one sample only. In this paper, we propose a new statistic called expected perturbation score (EPS), which is essentially the expected score of a sample after various perturbations. Specifically, to obtain adequate information regarding one sample, we perturb it by adding various noises to capture its multi-view observations. We theoretically prove that EPS is a proper statistic to compute the discrepancy between two samples under mild conditions. In practice, we can use a pre-trained diffusion model to estimate EPS for each sample. Last, we propose an EPS-based adversarial detection (EPS-AD) method, in which we develop EPS-based maximum mean discrepancy (MMD) as a metric to measure the discrepancy between the test sample and natural samples. We also prove that the EPS-based MMD between natural and adversarial samples is larger than that among natural samples. Extensive experiments show the superior adversarial detection performance of our EPS-AD.

Robotic manipulation systems operating in diverse, dynamic environments must exhibit three critical abilities: multitask interaction, generalization to unseen scenarios, and spatial memory. While significant progress has been made in robotic manipulation, existing approaches often fall short in generalization to complex environmental variations and addressing memory-dependent tasks. To bridge this gap, we introduce SAM2Act, a multi-view robotic transformer-based policy that leverages multi-resolution upsampling with visual representations from large-scale foundation model. SAM2Act achieves a state-of-the-art average success rate of 86.8% across 18 tasks in the RLBench benchmark, and demonstrates robust generalization on The Colosseum benchmark, with only a 4.3% performance gap under diverse environmental perturbations. Building on this foundation, we propose SAM2Act+, a memory-based architecture inspired by SAM2, which incorporates a memory bank, an encoder, and an attention mechanism to enhance spatial memory. To address the need for evaluating memory-dependent tasks, we introduce MemoryBench, a novel benchmark designed to assess spatial memory and action recall in robotic manipulation. SAM2Act+ achieves competitive performance on MemoryBench, significantly outperforming existing approaches and pushing the boundaries of memory-enabled robotic systems. Project page: https://sam2act.github.io/

This paper investigates the robustness of vision-language models against adversarial visual perturbations and introduces a novel ``double visual defense" to enhance this robustness. Unlike previous approaches that resort to lightweight adversarial fine-tuning of a pre-trained CLIP model, we perform large-scale adversarial vision-language pre-training from scratch using web-scale data. We then strengthen the defense by incorporating adversarial visual instruction tuning. The resulting models from each stage, DeltaCLIP and Delta^2LLaVA, show substantially enhanced zero-shot robustness and set a new state-of-the-art in adversarial defense for vision-language models. For example, the adversarial robustness of DeltaCLIP surpasses that of the previous best models on ImageNet-1k by ~20%. %For example, DeltaCLIP surpasses the previous best models on ImageNet-1k by ~20% in terms of adversarial robustness. Similarly, compared to prior art, Delta^2LLaVA brings a ~30% robustness improvement to image captioning task and a ~20% robustness improvement to visual question answering task. Furthermore, our models exhibit stronger zero-shot recognition capability, fewer hallucinations, and superior reasoning performance compared to baselines. Our project page is https://doublevisualdefense.github.io/.

In the evolving landscape of computer vision, foundation models have emerged as pivotal tools, exhibiting exceptional adaptability to a myriad of tasks. Among these, the Segment Anything Model (SAM) by Meta AI has distinguished itself in image segmentation. However, SAM, like its counterparts, encounters limitations in specific niche applications, prompting a quest for enhancement strategies that do not compromise its inherent capabilities. This paper introduces ASAM, a novel methodology that amplifies SAM's performance through adversarial tuning. We harness the potential of natural adversarial examples, inspired by their successful implementation in natural language processing. By utilizing a stable diffusion model, we augment a subset (1%) of the SA-1B dataset, generating adversarial instances that are more representative of natural variations rather than conventional imperceptible perturbations. Our approach maintains the photorealism of adversarial examples and ensures alignment with original mask annotations, thereby preserving the integrity of the segmentation task. The fine-tuned ASAM demonstrates significant improvements across a diverse range of segmentation tasks without necessitating additional data or architectural modifications. The results of our extensive evaluations confirm that ASAM establishes new benchmarks in segmentation tasks, thereby contributing to the advancement of foundational models in computer vision. Our project page is in https://asam2024.github.io/.

Diffusion models have achieved remarkable success in image generation tasks, yet their practical deployment is restrained by the high memory and time consumption. While quantization paves a way for diffusion model compression and acceleration, existing methods totally fail when the models are quantized to low-bits. In this paper, we unravel three properties in quantized diffusion models that compromise the efficacy of current methods: imbalanced activation distributions, imprecise temporal information, and vulnerability to perturbations of specific modules. To alleviate the intensified low-bit quantization difficulty stemming from the distribution imbalance, we propose finetuning the quantized model to better adapt to the activation distribution. Building on this idea, we identify two critical types of quantized layers: those holding vital temporal information and those sensitive to reduced bit-width, and finetune them to mitigate performance degradation with efficiency. We empirically verify that our approach modifies the activation distribution and provides meaningful temporal information, facilitating easier and more accurate quantization. Our method is evaluated over three high-resolution image generation tasks and achieves state-of-the-art performance under various bit-width settings, as well as being the first method to generate readable images on full 4-bit (i.e. W4A4) Stable Diffusion. Code is been made publicly available.

Growing leakage and misuse of visual information raise security and privacy concerns, which promotes the development of information protection. Existing adversarial perturbations-based methods mainly focus on the de-identification against deep learning models. However, the inherent visual information of the data has not been well protected. In this work, inspired by the Type-I adversarial attack, we propose an adversarial visual information hiding method to protect the visual privacy of data. Specifically, the method generates obfuscating adversarial perturbations to obscure the visual information of the data. Meanwhile, it maintains the hidden objectives to be correctly predicted by models. In addition, our method does not modify the parameters of the applied model, which makes it flexible for different scenarios. Experimental results on the recognition and classification tasks demonstrate that the proposed method can effectively hide visual information and hardly affect the performances of models. The code is available in the supplementary material.

Machine learning models are susceptible to adversarial perturbations: small changes to input that can cause large changes in output. It is also demonstrated that there exist input-agnostic perturbations, called universal adversarial perturbations, which can change the inference of target model on most of the data samples. However, existing methods to craft universal perturbations are (i) task specific, (ii) require samples from the training data distribution, and (iii) perform complex optimizations. Additionally, because of the data dependence, fooling ability of the crafted perturbations is proportional to the available training data. In this paper, we present a novel, generalizable and data-free approaches for crafting universal adversarial perturbations. Independent of the underlying task, our objective achieves fooling via corrupting the extracted features at multiple layers. Therefore, the proposed objective is generalizable to craft image-agnostic perturbations across multiple vision tasks such as object recognition, semantic segmentation, and depth estimation. In the practical setting of black-box attack scenario (when the attacker does not have access to the target model and it's training data), we show that our objective outperforms the data dependent objectives to fool the learned models. Further, via exploiting simple priors related to the data distribution, our objective remarkably boosts the fooling ability of the crafted perturbations. Significant fooling rates achieved by our objective emphasize that the current deep learning models are now at an increased risk, since our objective generalizes across multiple tasks without the requirement of training data for crafting the perturbations. To encourage reproducible research, we have released the codes for our proposed algorithm.

Human action understanding is crucial for the advancement of multimodal systems. While recent developments, driven by powerful large language models (LLMs), aim to be general enough to cover a wide range of categories, they often overlook the need for more specific capabilities. In this work, we address the more challenging task of Fine-grained Action Recognition (FAR), which focuses on detailed semantic labels within shorter temporal duration (e.g., "salto backward tucked with 1 turn"). Given the high costs of annotating fine-grained labels and the substantial data needed for fine-tuning LLMs, we propose to adopt semi-supervised learning (SSL). Our framework, SeFAR, incorporates several innovative designs to tackle these challenges. Specifically, to capture sufficient visual details, we construct Dual-level temporal elements as more effective representations, based on which we design a new strong augmentation strategy for the Teacher-Student learning paradigm through involving moderate temporal perturbation. Furthermore, to handle the high uncertainty within the teacher model's predictions for FAR, we propose the Adaptive Regulation to stabilize the learning process. Experiments show that SeFAR achieves state-of-the-art performance on two FAR datasets, FineGym and FineDiving, across various data scopes. It also outperforms other semi-supervised methods on two classical coarse-grained datasets, UCF101 and HMDB51. Further analysis and ablation studies validate the effectiveness of our designs. Additionally, we show that the features extracted by our SeFAR could largely promote the ability of multimodal foundation models to understand fine-grained and domain-specific semantics.

Large Language Models (LLMs) have achieved remarkable success in natural language processing, but their full fine-tuning remains resource-intensive. Parameter-Efficient Fine-Tuning (PEFT) methods, such as Low-Rank Adaptation (LoRA), have emerged as a practical solution by approximating parameter updates with low-rank matrices. However, LoRA often exhibits a "double descent" phenomenon during fine-tuning, where model performance degrades due to overfitting and limited expressiveness caused by low-rank constraints. To address this issue, we propose LoRA-GGPO (Gradient-Guided Perturbation Optimization), a novel method that leverages gradient and weight norms to generate targeted perturbations. By optimizing the sharpness of the loss landscape, LoRA-GGPO guides the model toward flatter minima, mitigating the double descent problem and improving generalization. Extensive experiments on natural language understanding (NLU) and generation (NLG) tasks demonstrate that LoRA-GGPO outperforms LoRA and its state-of-the-art variants. Furthermore, extended experiments specifically designed to analyze the double descent phenomenon confirm that LoRA-GGPO effectively alleviates this issue, producing more robust and generalizable models. Our work provides a robust and efficient solution for fine-tuning LLMs, with broad applicability in real-world scenarios. The code is available at https://github.com/llm172/LoRA-GGPO.

Visual deep reinforcement learning (RL) enables robots to acquire skills from visual input for unstructured tasks. However, current algorithms suffer from low sample efficiency, limiting their practical applicability. In this work, we present MENTOR, a method that improves both the architecture and optimization of RL agents. Specifically, MENTOR replaces the standard multi-layer perceptron (MLP) with a mixture-of-experts (MoE) backbone, enhancing the agent's ability to handle complex tasks by leveraging modular expert learning to avoid gradient conflicts. Furthermore, MENTOR introduces a task-oriented perturbation mechanism, which heuristically samples perturbation candidates containing task-relevant information, leading to more targeted and effective optimization. MENTOR outperforms state-of-the-art methods across three simulation domains -- DeepMind Control Suite, Meta-World, and Adroit. Additionally, MENTOR achieves an average of 83% success rate on three challenging real-world robotic manipulation tasks including peg insertion, cable routing, and tabletop golf, which significantly surpasses the success rate of 32% from the current strongest model-free visual RL algorithm. These results underscore the importance of sample efficiency in advancing visual RL for real-world robotics. Experimental videos are available at https://suninghuang19.github.io/mentor_page.

Current studies on adversarial robustness mainly focus on aggregating local robustness results from a set of data samples to evaluate and rank different models. However, the local statistics may not well represent the true global robustness of the underlying unknown data distribution. To address this challenge, this paper makes the first attempt to present a new framework, called GREAT Score , for global robustness evaluation of adversarial perturbation using generative models. Formally, GREAT Score carries the physical meaning of a global statistic capturing a mean certified attack-proof perturbation level over all samples drawn from a generative model. For finite-sample evaluation, we also derive a probabilistic guarantee on the sample complexity and the difference between the sample mean and the true mean. GREAT Score has several advantages: (1) Robustness evaluations using GREAT Score are efficient and scalable to large models, by sparing the need of running adversarial attacks. In particular, we show high correlation and significantly reduced computation cost of GREAT Score when compared to the attack-based model ranking on RobustBench (Croce,et. al. 2021). (2) The use of generative models facilitates the approximation of the unknown data distribution. In our ablation study with different generative adversarial networks (GANs), we observe consistency between global robustness evaluation and the quality of GANs. (3) GREAT Score can be used for remote auditing of privacy-sensitive black-box models, as demonstrated by our robustness evaluation on several online facial recognition services.

This work aims to improve the efficiency of text-to-image diffusion models. While diffusion models use computationally expensive UNet-based denoising operations in every generation step, we identify that not all operations are equally relevant for the final output quality. In particular, we observe that UNet layers operating on high-res feature maps are relatively sensitive to small perturbations. In contrast, low-res feature maps influence the semantic layout of the final image and can often be perturbed with no noticeable change in the output. Based on this observation, we propose Clockwork Diffusion, a method that periodically reuses computation from preceding denoising steps to approximate low-res feature maps at one or more subsequent steps. For multiple baselines, and for both text-to-image generation and image editing, we demonstrate that Clockwork leads to comparable or improved perceptual scores with drastically reduced computational complexity. As an example, for Stable Diffusion v1.5 with 8 DPM++ steps we save 32% of FLOPs with negligible FID and CLIP change.

Ensemble forecasting is crucial for improving weather predictions, especially for forecasts of extreme events. Constructing an ensemble prediction system (EPS) based on conventional NWP models is highly computationally expensive. ML models have emerged as valuable tools for deterministic weather forecasts, providing forecasts with significantly reduced computational requirements and even surpassing the forecast performance of traditional NWP models. However, challenges arise when applying ML models to ensemble forecasting. Recent ML models, such as GenCast and SEEDS model, rely on the ERA5 EDA or operational NWP ensemble members for forecast generation. Their spatial resolution is also considered too coarse for many applications. To overcome these limitations, we introduce FuXi-ENS, an advanced ML model designed to deliver 6-hourly global ensemble weather forecasts up to 15 days. This model runs at a significantly increased spatial resolution of 0.25\textdegree, incorporating 5 atmospheric variables at 13 pressure levels, along with 13 surface variables. By leveraging the inherent probabilistic nature of Variational AutoEncoder (VAE), FuXi-ENS optimizes a loss function that combines the CRPS and the KL divergence between the predicted and target distribution, facilitating the incorporation of flow-dependent perturbations in both initial conditions and forecast. This innovative approach makes FuXi-ENS an advancement over the traditional ones that use L1 loss combined with the KL loss in standard VAE models for ensemble weather forecasting. Results demonstrate that FuXi-ENS outperforms ensemble forecasts from the ECMWF, a world leading NWP model, in the CRPS of 98.1% of 360 variable and forecast lead time combinations. This achievement underscores the potential of the FuXi-ENS model to enhance ensemble weather forecasts, offering a promising direction for further development in this field.

Referring perception, which aims at grounding visual objects with multimodal referring guidance, is essential for bridging the gap between humans, who provide instructions, and the environment where intelligent systems perceive. Despite progress in this field, the robustness of referring perception models (RPMs) against disruptive perturbations is not well explored. This work thoroughly assesses the resilience of RPMs against various perturbations in both general and specific contexts. Recognizing the complex nature of referring perception tasks, we present a comprehensive taxonomy of perturbations, and then develop a versatile toolbox for synthesizing and evaluating the effects of composite disturbances. Employing this toolbox, we construct R^2-Bench, a benchmark for assessing the Robustness of Referring perception models under noisy conditions across five key tasks. Moreover, we propose the R^2-Agent, an LLM-based agent that simplifies and automates model evaluation via natural language instructions. Our investigation uncovers the vulnerabilities of current RPMs to various perturbations and provides tools for assessing model robustness, potentially promoting the safe and resilient integration of intelligent systems into complex real-world scenarios.

Self-supervised image backbones can be used to address complex 2D tasks (e.g., semantic segmentation, object discovery) very efficiently and with little or no downstream supervision. Ideally, 3D backbones for lidar should be able to inherit these properties after distillation of these powerful 2D features. The most recent methods for image-to-lidar distillation on autonomous driving data show promising results, obtained thanks to distillation methods that keep improving. Yet, we still notice a large performance gap when measuring the quality of distilled and fully supervised features by linear probing. In this work, instead of focusing only on the distillation method, we study the effect of three pillars for distillation: the 3D backbone, the pretrained 2D backbones, and the pretraining dataset. In particular, thanks to our scalable distillation method named ScaLR, we show that scaling the 2D and 3D backbones and pretraining on diverse datasets leads to a substantial improvement of the feature quality. This allows us to significantly reduce the gap between the quality of distilled and fully-supervised 3D features, and to improve the robustness of the pretrained backbones to domain gaps and perturbations.

Many adversarial attacks in NLP perturb inputs to produce visually similar strings ('ergo' rightarrow 'epsilonrgo') which are legible to humans but degrade model performance. Although preserving legibility is a necessary condition for text perturbation, little work has been done to systematically characterize it; instead, legibility is typically loosely enforced via intuitions around the nature and extent of perturbations. Particularly, it is unclear to what extent can inputs be perturbed while preserving legibility, or how to quantify the legibility of a perturbed string. In this work, we address this gap by learning models that predict the legibility of a perturbed string, and rank candidate perturbations based on their legibility. To do so, we collect and release LEGIT, a human-annotated dataset comprising the legibility of visually perturbed text. Using this dataset, we build both text- and vision-based models which achieve up to 0.91 F1 score in predicting whether an input is legible, and an accuracy of 0.86 in predicting which of two given perturbations is more legible. Additionally, we discover that legible perturbations from the LEGIT dataset are more effective at lowering the performance of NLP models than best-known attack strategies, suggesting that current models may be vulnerable to a broad range of perturbations beyond what is captured by existing visual attacks. Data, code, and models are available at https://github.com/dvsth/learning-legibility-2023.

Researchers have proposed a wide variety of model explanation approaches, but it remains unclear how most methods are related or when one method is preferable to another. We examine the literature and find that many methods are based on a shared principle of explaining by removing - essentially, measuring the impact of removing sets of features from a model. These methods vary in several respects, so we develop a framework for removal-based explanations that characterizes each method along three dimensions: 1) how the method removes features, 2) what model behavior the method explains, and 3) how the method summarizes each feature's influence. Our framework unifies 26 existing methods, including several of the most widely used approaches (SHAP, LIME, Meaningful Perturbations, permutation tests). Exposing the fundamental similarities between these methods empowers users to reason about which tools to use, and suggests promising directions for ongoing model explainability research.

Aspect-based sentiment analysis (ABSA) aims at automatically inferring the specific sentiment polarities toward certain aspects of products or services behind the social media texts or reviews, which has been a fundamental application to the real-world society. Since the early 2010s, ABSA has achieved extraordinarily high accuracy with various deep neural models. However, existing ABSA models with strong in-house performances may fail to generalize to some challenging cases where the contexts are variable, i.e., low robustness to real-world environments. In this study, we propose to enhance the ABSA robustness by systematically rethinking the bottlenecks from all possible angles, including model, data, and training. First, we strengthen the current best-robust syntax-aware models by further incorporating the rich external syntactic dependencies and the labels with aspect simultaneously with a universal-syntax graph convolutional network. In the corpus perspective, we propose to automatically induce high-quality synthetic training data with various types, allowing models to learn sufficient inductive bias for better robustness. Last, we based on the rich pseudo data perform adversarial training to enhance the resistance to the context perturbation and meanwhile employ contrastive learning to reinforce the representations of instances with contrastive sentiments. Extensive robustness evaluations are conducted. The results demonstrate that our enhanced syntax-aware model achieves better robustness performances than all the state-of-the-art baselines. By additionally incorporating our synthetic corpus, the robust testing results are pushed with around 10% accuracy, which are then further improved by installing the advanced training strategies. In-depth analyses are presented for revealing the factors influencing the ABSA robustness.

Vision-language-action models (VLAs) have shown great potential as generalist robot policies. However, these models pose urgent safety challenges during deployment, including the risk of physical harm to the environment, the robot itself, and humans. How can safety be explicitly incorporated into VLAs? In this work, we propose SafeVLA, a novel algorithm designed to integrate safety into VLAs, ensuring the protection of the environment, robot hardware and humans in real-world settings. SafeVLA effectively balances safety and task performance by employing large-scale constrained learning within simulated environments. We demonstrate that SafeVLA outperforms the current state-of-the-art method in both safety and task performance, achieving average improvements of 83.58% and 3.85%, respectively, in simulation. By prioritizing safety, our approach eliminates high-risk behaviors and reduces the upper bound of unsafe behaviors to 1/35 of that in the current state-of-the-art, thereby significantly mitigating long-tail risks. Furthermore, the learned safety constraints generalize to diverse, unseen scenarios, including multiple out-of-distribution perturbations and tasks. Our data, models and newly proposed benchmark environment are available at https://sites.google.com/view/pku-safevla.

This paper investigates the fragility of Large Language Models (LLMs) in generalizing to novel inputs, specifically focusing on minor perturbations in well-established benchmarks (e.g., slight changes in question format or distractor length). Despite high benchmark scores, LLMs exhibit significant accuracy drops and unexpected biases (e.g., preference for longer distractors) when faced with these minor but content-preserving modifications. For example, Qwen 2.5 1.5B's MMLU score rises from 60 to 89 and drops from 89 to 36 when option lengths are changed without altering the question. Even GPT-4 experiences a 25-point accuracy loss when question types are changed, with a 6-point drop across all three modification categories. These analyses suggest that LLMs rely heavily on superficial cues rather than forming robust, abstract representations that generalize across formats, lexical variations, and irrelevant content shifts. This work aligns with the ACL 2025 theme track on the Generalization of NLP models, proposing a "Generalization Stress Test" to assess performance shifts under controlled perturbations. The study calls for reevaluating benchmarks and developing more reliable evaluation methodologies to capture LLM generalization abilities better.

Recent research has adopted a new experimental field centered around the concept of text perturbations which has revealed that shuffled word order has little to no impact on the downstream performance of Transformer-based language models across many NLP tasks. These findings contradict the common understanding of how the models encode hierarchical and structural information and even question if the word order is modeled with position embeddings. To this end, this paper proposes nine probing datasets organized by the type of controllable text perturbation for three Indo-European languages with a varying degree of word order flexibility: English, Swedish and Russian. Based on the probing analysis of the M-BERT and M-BART models, we report that the syntactic sensitivity depends on the language and model pre-training objectives. We also find that the sensitivity grows across layers together with the increase of the perturbation granularity. Last but not least, we show that the models barely use the positional information to induce syntactic trees from their intermediate self-attention and contextualized representations.

A variety of methods have been proposed to try to explain how deep neural networks make their decisions. Key to those approaches is the need to sample the pixel space efficiently in order to derive importance maps. However, it has been shown that the sampling methods used to date introduce biases and other artifacts, leading to inaccurate estimates of the importance of individual pixels and severely limit the reliability of current explainability methods. Unfortunately, the alternative -- to exhaustively sample the image space is computationally prohibitive. In this paper, we introduce EVA (Explaining using Verified perturbation Analysis) -- the first explainability method guarantee to have an exhaustive exploration of a perturbation space. Specifically, we leverage the beneficial properties of verified perturbation analysis -- time efficiency, tractability and guaranteed complete coverage of a manifold -- to efficiently characterize the input variables that are most likely to drive the model decision. We evaluate the approach systematically and demonstrate state-of-the-art results on multiple benchmarks.

Tobasco et al. [Physics Letters A, 382:382-386, 2018; see https://doi.org/10.1016/j.physleta.2017.12.023] recently suggested that trajectories of ODE systems that optimize the infinite-time average of a certain observable can be localized using sublevel sets of a function that arise when bounding such averages using so-called auxiliary functions. In this paper we demonstrate that this idea is viable and allows for the computation of extremal unstable periodic orbits (UPOs) for polynomial ODE systems. First, we prove that polynomial optimization is guaranteed to produce auxiliary functions that yield near-sharp bounds on time averages, which is required in order to localize the extremal orbit accurately. Second, we show that points inside the relevant sublevel sets can be computed efficiently through direct nonlinear optimization. Such points provide good initial conditions for UPO computations. As a proof of concept, we then combine these methods with a single-shooting Newton-Raphson algorithm to study extremal UPOs for a nine-dimensional model of sinusoidally forced shear flow. We discover three previously unknown families of UPOs, one of which simultaneously minimizes the mean energy dissipation rate and maximizes the mean perturbation energy relative to the laminar state for Reynolds numbers approximately between 81.24 and 125.

The increasing complexity of AI systems has made understanding their behavior a critical challenge. Numerous methods have been developed to attribute model behavior to three key aspects: input features, training data, and internal model components. However, these attribution methods are studied and applied rather independently, resulting in a fragmented landscape of approaches and terminology. This position paper argues that feature, data, and component attribution methods share fundamental similarities, and bridging them can benefit interpretability research. We conduct a detailed analysis of successful methods across three domains and present a unified view to demonstrate that these seemingly distinct methods employ similar approaches, such as perturbations, gradients, and linear approximations, differing primarily in their perspectives rather than core techniques. Our unified perspective enhances understanding of existing attribution methods, identifies shared concepts and challenges, makes this field more accessible to newcomers, and highlights new directions not only for attribution and interpretability but also for broader AI research, including model editing, steering, and regulation.

It is well-known that the performance of well-trained deep neural networks may degrade significantly when they are applied to data with even slightly shifted distributions. Recent studies have shown that introducing certain perturbation on feature statistics (\eg, mean and standard deviation) during training can enhance the cross-domain generalization ability. Existing methods typically conduct such perturbation by utilizing the feature statistics within a mini-batch, limiting their representation capability. Inspired by the domain generalization objective, we introduce a novel Adversarial Style Augmentation (ASA) method, which explores broader style spaces by generating more effective statistics perturbation via adversarial training. Specifically, we first search for the most sensitive direction and intensity for statistics perturbation by maximizing the task loss. By updating the model against the adversarial statistics perturbation during training, we allow the model to explore the worst-case domain and hence improve its generalization performance. To facilitate the application of ASA, we design a simple yet effective module, namely AdvStyle, which instantiates the ASA method in a plug-and-play manner. We justify the efficacy of AdvStyle on tasks of cross-domain classification and instance retrieval. It achieves higher mean accuracy and lower performance fluctuation. Especially, our method significantly outperforms its competitors on the PACS dataset under the single source generalization setting, \eg, boosting the classification accuracy from 61.2\% to 67.1\% with a ResNet50 backbone. Our code will be available at https://github.com/YBZh/AdvStyle.

Controlled text perturbation is useful for evaluating and improving model generalizability. However, current techniques rely on training a model for every target perturbation, which is expensive and hard to generalize. We present Tailor, a semantically-controlled text generation system. Tailor builds on a pretrained seq2seq model and produces textual outputs conditioned on control codes derived from semantic representations. We craft a set of operations to modify the control codes, which in turn steer generation towards targeted attributes. These operations can be further composed into higher-level ones, allowing for flexible perturbation strategies. We demonstrate the effectiveness of these perturbations in multiple applications. First, we use Tailor to automatically create high-quality contrast sets for four distinct natural language processing (NLP) tasks. These contrast sets contain fewer spurious artifacts and are complementary to manually annotated ones in their lexical diversity. Second, we show that Tailor perturbations can improve model generalization through data augmentation. Perturbing just 2% of training data leads to a 5.8-point gain on an NLI challenge set measuring reliance on syntactic heuristics.

Pre-trained large language models (LLMs) require fine-tuning to improve their responsiveness to natural language instructions. Federated learning (FL) offers a way to perform fine-tuning using the abundant data on end devices without compromising data privacy. Most existing federated fine-tuning methods for LLMs rely on parameter-efficient fine-tuning techniques, which may not reach the performance heights possible with full-parameter tuning. However, the communication overhead associated with full-parameter tuning is prohibitively high for both servers and clients. This work introduces FedKSeed, a novel approach that employs zeroth-order optimization (ZOO) with a set of random seeds. It enables federated full-parameter tuning of billion-sized LLMs directly on devices. Our method significantly reduces transmission requirements between the server and clients to just a few scalar gradients and random seeds, amounting to only a few thousand bytes. Building on this, we develop a strategy to assess the significance of ZOO perturbations for FL, allowing for probability-differentiated seed sampling. This prioritizes perturbations that have a greater impact on model accuracy. Experiments across six scenarios with different LLMs, datasets and data partitions demonstrate that our approach outperforms existing federated LLM fine-tuning methods in terms of both communication efficiency and new task generalization.

Most language understanding models in task-oriented dialog systems are trained on a small amount of annotated training data, and evaluated in a small set from the same distribution. However, these models can lead to system failure or undesirable output when being exposed to natural language perturbation or variation in practice. In this paper, we conduct comprehensive evaluation and analysis with respect to the robustness of natural language understanding models, and introduce three important aspects related to language understanding in real-world dialog systems, namely, language variety, speech characteristics, and noise perturbation. We propose a model-agnostic toolkit LAUG to approximate natural language perturbations for testing the robustness issues in task-oriented dialog. Four data augmentation approaches covering the three aspects are assembled in LAUG, which reveals critical robustness issues in state-of-the-art models. The augmented dataset through LAUG can be used to facilitate future research on the robustness testing of language understanding in task-oriented dialog.

Mammalian brains handle complex reasoning tasks in a gestalt manner by integrating information from regions of the brain that are specialised to individual sensory modalities. This allows for improved robustness and better generalisation ability. In contrast, deep neural networks are usually designed to process one particular information stream and susceptible to various types of adversarial perturbations. While many methods exist for detecting and defending against adversarial attacks, they do not generalise across a range of attacks and negatively affect performance on clean, unperturbed data. We developed a fusion model using a combination of background and foreground features extracted in parallel from Places-CNN and Imagenet-CNN. We tested the benefits of the fusion approach on preserving adversarial robustness for human perceivable (e.g., Gaussian blur) and network perceivable (e.g., gradient-based) attacks for CIFAR-10 and MS COCO data sets. For gradient based attacks, our results show that fusion allows for significant improvements in classification without decreasing performance on unperturbed data and without need to perform adversarial retraining. Our fused model revealed improvements for Gaussian blur type perturbations as well. The increase in performance from fusion approach depended on the variability of the image contexts; larger increases were seen for classes of images with larger differences in their contexts. We also demonstrate the effect of regularization to bias the classifier decision in the presence of a known adversary. We propose that this biologically inspired approach to integrate information across multiple modalities provides a new way to improve adversarial robustness that can be complementary to current state of the art approaches.

Imperceptible digital watermarking is important in copyright protection, misinformation prevention, and responsible generative AI. We propose TrustMark - a GAN-based watermarking method with novel design in architecture and spatio-spectra losses to balance the trade-off between watermarked image quality with the watermark recovery accuracy. Our model is trained with robustness in mind, withstanding various in- and out-place perturbations on the encoded image. Additionally, we introduce TrustMark-RM - a watermark remover method useful for re-watermarking. Our methods achieve state-of-art performance on 3 benchmarks comprising arbitrary resolution images.

Understanding tables is an important aspect of natural language understanding. Existing models for table understanding require linearization of the table structure, where row or column order is encoded as an unwanted bias. Such spurious biases make the model vulnerable to row and column order perturbations. Additionally, prior work has not thoroughly modeled the table structures or table-text alignments, hindering the table-text understanding ability. In this work, we propose a robust and structurally aware table-text encoding architecture TableFormer, where tabular structural biases are incorporated completely through learnable attention biases. TableFormer is (1) strictly invariant to row and column orders, and, (2) could understand tables better due to its tabular inductive biases. Our evaluations showed that TableFormer outperforms strong baselines in all settings on SQA, WTQ and TabFact table reasoning datasets, and achieves state-of-the-art performance on SQA, especially when facing answer-invariant row and column order perturbations (6% improvement over the best baseline), because previous SOTA models' performance drops by 4% - 6% when facing such perturbations while TableFormer is not affected.

Fine-tuning enables large language models (LLMs) to adapt to specific domains, but often undermines their previously established safety alignment. To mitigate the degradation of model safety during fine-tuning, we introduce LookAhead Tuning, which comprises two simple, low-resource, and effective data-driven methods that modify training data by previewing partial answer prefixes. Both methods aim to preserve the model's inherent safety mechanisms by minimizing perturbations to initial token distributions. Comprehensive experiments demonstrate that LookAhead Tuning effectively maintains model safety without sacrificing robust performance on downstream tasks. Our findings position LookAhead Tuning as a reliable and efficient solution for the safe and effective adaptation of LLMs. Code is released at https://github.com/zjunlp/LookAheadTuning.

Perturbative availability poisons (PAPs) add small changes to images to prevent their use for model training. Current research adopts the belief that practical and effective approaches to countering PAPs do not exist. In this paper, we argue that it is time to abandon this belief. We present extensive experiments showing that 12 state-of-the-art PAP methods are vulnerable to Image Shortcut Squeezing (ISS), which is based on simple compression. For example, on average, ISS restores the CIFAR-10 model accuracy to 81.73%, surpassing the previous best preprocessing-based countermeasures by 37.97% absolute. ISS also (slightly) outperforms adversarial training and has higher generalizability to unseen perturbation norms and also higher efficiency. Our investigation reveals that the property of PAP perturbations depends on the type of surrogate model used for poison generation, and it explains why a specific ISS compression yields the best performance for a specific type of PAP perturbation. We further test stronger, adaptive poisoning, and show it falls short of being an ideal defense against ISS. Overall, our results demonstrate the importance of considering various (simple) countermeasures to ensure the meaningfulness of analysis carried out during the development of PAP methods.

Deep neural networks are known to be vulnerable to security risks due to the inherent transferable nature of adversarial examples. Despite the success of recent generative model-based attacks demonstrating strong transferability, it still remains a challenge to design an efficient attack strategy in a real-world strict black-box setting, where both the target domain and model architectures are unknown. In this paper, we seek to explore a feature contrastive approach in the frequency domain to generate adversarial examples that are robust in both cross-domain and cross-model settings. With that goal in mind, we propose two modules that are only employed during the training phase: a Frequency-Aware Domain Randomization (FADR) module to randomize domain-variant low- and high-range frequency components and a Frequency-Augmented Contrastive Learning (FACL) module to effectively separate domain-invariant mid-frequency features of clean and perturbed image. We demonstrate strong transferability of our generated adversarial perturbations through extensive cross-domain and cross-model experiments, while keeping the inference time complexity.

Large language models (LLMs) achieve good performance on challenging reasoning benchmarks, yet could also make basic reasoning mistakes. This contrasting behavior is puzzling when it comes to understanding the mechanisms behind LLMs' reasoning capabilities. One hypothesis is that the increasingly high and nearly saturated performance on common reasoning benchmarks could be due to the memorization of similar problems. In this paper, we systematically investigate this hypothesis with a quantitative measurement of memorization in reasoning tasks, using a dynamically generated logical reasoning benchmark based on Knights and Knaves (K&K) puzzles. We found that LLMs could interpolate the training puzzles (achieving near-perfect accuracy) after fine-tuning, yet fail when those puzzles are slightly perturbed, suggesting that the models heavily rely on memorization to solve those training puzzles. On the other hand, we show that while fine-tuning leads to heavy memorization, it also consistently improves generalization performance. In-depth analyses with perturbation tests, cross difficulty-level transferability, probing model internals, and fine-tuning with wrong answers suggest that the LLMs learn to reason on K&K puzzles despite training data memorization. This phenomenon indicates that LLMs exhibit a complex interplay between memorization and genuine reasoning abilities. Finally, our analysis with per-sample memorization score sheds light on how LLMs switch between reasoning and memorization in solving logical puzzles. Our code and data are available at https://memkklogic.github.io.

Text-to-image diffusion models are nothing but a revolution, allowing anyone, even without design skills, to create realistic images from simple text inputs. With powerful personalization tools like DreamBooth, they can generate images of a specific person just by learning from his/her few reference images. However, when misused, such a powerful and convenient tool can produce fake news or disturbing content targeting any individual victim, posing a severe negative social impact. In this paper, we explore a defense system called Anti-DreamBooth against such malicious use of DreamBooth. The system aims to add subtle noise perturbation to each user's image before publishing in order to disrupt the generation quality of any DreamBooth model trained on these perturbed images. We investigate a wide range of algorithms for perturbation optimization and extensively evaluate them on two facial datasets over various text-to-image model versions. Despite the complicated formulation of DreamBooth and Diffusion-based text-to-image models, our methods effectively defend users from the malicious use of those models. Their effectiveness withstands even adverse conditions, such as model or prompt/term mismatching between training and testing. Our code will be available at https://github.com/VinAIResearch/Anti-DreamBooth.git{https://github.com/VinAIResearch/Anti-DreamBooth.git}.

Is the Text to Motion model robust? Recent advancements in Text to Motion models primarily stem from more accurate predictions of specific actions. However, the text modality typically relies solely on pre-trained Contrastive Language-Image Pretraining (CLIP) models. Our research has uncovered a significant issue with the text-to-motion model: its predictions often exhibit inconsistent outputs, resulting in vastly different or even incorrect poses when presented with semantically similar or identical text inputs. In this paper, we undertake an analysis to elucidate the underlying causes of this instability, establishing a clear link between the unpredictability of model outputs and the erratic attention patterns of the text encoder module. Consequently, we introduce a formal framework aimed at addressing this issue, which we term the Stable Text-to-Motion Framework (SATO). SATO consists of three modules, each dedicated to stable attention, stable prediction, and maintaining a balance between accuracy and robustness trade-off. We present a methodology for constructing an SATO that satisfies the stability of attention and prediction. To verify the stability of the model, we introduced a new textual synonym perturbation dataset based on HumanML3D and KIT-ML. Results show that SATO is significantly more stable against synonyms and other slight perturbations while keeping its high accuracy performance.

Fine-tuning large pretrained language models on a limited training corpus usually suffers from poor generalization. Prior works show that the recently-proposed sharpness-aware minimization (SAM) optimization method can improve the model generalization. However, SAM adds a perturbation to each model parameter equally (but not all parameters contribute equally to the optimization of training), which we argue is sub-optimal and will lead to excessive computation. In this paper, we propose a novel optimization procedure, namely FSAM, which introduces a Fisher mask to improve the efficiency and performance of SAM. In short, instead of adding perturbation to all parameters, FSAM uses the Fisher information to identity the important parameters and formulates a Fisher mask to obtain the sparse perturbation, i.e., making the optimizer focus on these important parameters. Experiments on various tasks in GLUE and SuperGLUE benchmarks show that FSAM consistently outperforms the vanilla SAM by 0.67~1.98 average score among four different pretrained models. We also empirically show that FSAM works well in other complex scenarios, e.g., fine-tuning on generation tasks or limited training data. Encouragingly, when training data is limited, FSAM improves the SAM by a large margin, i.e., up to 15.1.

The majority of methods for crafting adversarial attacks have focused on scenes with a single dominant object (e.g., images from ImageNet). On the other hand, natural scenes include multiple dominant objects that are semantically related. Thus, it is crucial to explore designing attack strategies that look beyond learning on single-object scenes or attack single-object victim classifiers. Due to their inherent property of strong transferability of perturbations to unknown models, this paper presents the first approach of using generative models for adversarial attacks on multi-object scenes. In order to represent the relationships between different objects in the input scene, we leverage upon the open-sourced pre-trained vision-language model CLIP (Contrastive Language-Image Pre-training), with the motivation to exploit the encoded semantics in the language space along with the visual space. We call this attack approach Generative Adversarial Multi-object scene Attacks (GAMA). GAMA demonstrates the utility of the CLIP model as an attacker's tool to train formidable perturbation generators for multi-object scenes. Using the joint image-text features to train the generator, we show that GAMA can craft potent transferable perturbations in order to fool victim classifiers in various attack settings. For example, GAMA triggers ~16% more misclassification than state-of-the-art generative approaches in black-box settings where both the classifier architecture and data distribution of the attacker are different from the victim. Our code is available here: https://abhishekaich27.github.io/gama.html

While Visual Question Answering (VQA) has progressed rapidly, previous works raise concerns about robustness of current VQA models. In this work, we study the robustness of VQA models from a novel perspective: visual context. We suggest that the models over-rely on the visual context, i.e., irrelevant objects in the image, to make predictions. To diagnose the model's reliance on visual context and measure their robustness, we propose a simple yet effective perturbation technique, SwapMix. SwapMix perturbs the visual context by swapping features of irrelevant context objects with features from other objects in the dataset. Using SwapMix we are able to change answers to more than 45 % of the questions for a representative VQA model. Additionally, we train the models with perfect sight and find that the context over-reliance highly depends on the quality of visual representations. In addition to diagnosing, SwapMix can also be applied as a data augmentation strategy during training in order to regularize the context over-reliance. By swapping the context object features, the model reliance on context can be suppressed effectively. Two representative VQA models are studied using SwapMix: a co-attention model MCAN and a large-scale pretrained model LXMERT. Our experiments on the popular GQA dataset show the effectiveness of SwapMix for both diagnosing model robustness and regularizing the over-reliance on visual context. The code for our method is available at https://github.com/vipulgupta1011/swapmix

Traditional white-box methods for creating adversarial perturbations against LLMs typically rely only on gradient computation from the targeted model, ignoring the internal mechanisms responsible for attack success or failure. Conversely, interpretability studies that analyze these internal mechanisms lack practical applications beyond runtime interventions. We bridge this gap by introducing a novel white-box approach that leverages mechanistic interpretability techniques to craft practical adversarial inputs. Specifically, we first identify acceptance subspaces - sets of feature vectors that do not trigger the model's refusal mechanisms - then use gradient-based optimization to reroute embeddings from refusal subspaces to acceptance subspaces, effectively achieving jailbreaks. This targeted approach significantly reduces computation cost, achieving attack success rates of 80-95\% on state-of-the-art models including Gemma2, Llama3.2, and Qwen2.5 within minutes or even seconds, compared to existing techniques that often fail or require hours of computation. We believe this approach opens a new direction for both attack research and defense development. Furthermore, it showcases a practical application of mechanistic interpretability where other methods are less efficient, which highlights its utility. The code and generated datasets are available at https://github.com/Sckathach/subspace-rerouting.

The fluency and factual knowledge of large language models (LLMs) heightens the need for corresponding systems to detect whether a piece of text is machine-written. For example, students may use LLMs to complete written assignments, leaving instructors unable to accurately assess student learning. In this paper, we first demonstrate that text sampled from an LLM tends to occupy negative curvature regions of the model's log probability function. Leveraging this observation, we then define a new curvature-based criterion for judging if a passage is generated from a given LLM. This approach, which we call DetectGPT, does not require training a separate classifier, collecting a dataset of real or generated passages, or explicitly watermarking generated text. It uses only log probabilities computed by the model of interest and random perturbations of the passage from another generic pre-trained language model (e.g, T5). We find DetectGPT is more discriminative than existing zero-shot methods for model sample detection, notably improving detection of fake news articles generated by 20B parameter GPT-NeoX from 0.81 AUROC for the strongest zero-shot baseline to 0.95 AUROC for DetectGPT. See https://ericmitchell.ai/detectgpt for code, data, and other project information.

In optimal transport (OT), a Monge map is known as a mapping that transports a source distribution to a target distribution in the most cost-efficient way. Recently, multiple neural estimators for Monge maps have been developed and applied in diverse unpaired domain translation tasks, e.g. in single-cell biology and computer vision. However, the classic OT framework enforces mass conservation, which makes it prone to outliers and limits its applicability in real-world scenarios. The latter can be particularly harmful in OT domain translation tasks, where the relative position of a sample within a distribution is explicitly taken into account. While unbalanced OT tackles this challenge in the discrete setting, its integration into neural Monge map estimators has received limited attention. We propose a theoretically grounded method to incorporate unbalancedness into any Monge map estimator. We improve existing estimators to model cell trajectories over time and to predict cellular responses to perturbations. Moreover, our approach seamlessly integrates with the OT flow matching (OT-FM) framework. While we show that OT-FM performs competitively in image translation, we further improve performance by incorporating unbalancedness (UOT-FM), which better preserves relevant features. We hence establish UOT-FM as a principled method for unpaired image translation.

Backdoor attacks covertly implant triggers into deep neural networks (DNNs) by poisoning a small portion of the training data with pre-designed backdoor triggers. This vulnerability is exacerbated in the era of large models, where extensive (pre-)training on web-crawled datasets is susceptible to compromise. In this paper, we introduce a novel two-step defense framework named Expose Before You Defend (EBYD). EBYD unifies existing backdoor defense methods into a comprehensive defense system with enhanced performance. Specifically, EBYD first exposes the backdoor functionality in the backdoored model through a model preprocessing step called backdoor exposure, and then applies detection and removal methods to the exposed model to identify and eliminate the backdoor features. In the first step of backdoor exposure, we propose a novel technique called Clean Unlearning (CUL), which proactively unlearns clean features from the backdoored model to reveal the hidden backdoor features. We also explore various model editing/modification techniques for backdoor exposure, including fine-tuning, model sparsification, and weight perturbation. Using EBYD, we conduct extensive experiments on 10 image attacks and 6 text attacks across 2 vision datasets (CIFAR-10 and an ImageNet subset) and 4 language datasets (SST-2, IMDB, Twitter, and AG's News). The results demonstrate the importance of backdoor exposure for backdoor defense, showing that the exposed models can significantly benefit a range of downstream defense tasks, including backdoor label detection, backdoor trigger recovery, backdoor model detection, and backdoor removal. We hope our work could inspire more research in developing advanced defense frameworks with exposed models. Our code is available at: https://github.com/bboylyg/Expose-Before-You-Defend.

Safety backdoor attacks in large language models (LLMs) enable the stealthy triggering of unsafe behaviors while evading detection during normal interactions. The high dimensionality of potential triggers in the token space and the diverse range of malicious behaviors make this a critical challenge. We present BEEAR, a mitigation approach leveraging the insight that backdoor triggers induce relatively uniform drifts in the model's embedding space. Our bi-level optimization method identifies universal embedding perturbations that elicit unwanted behaviors and adjusts the model parameters to reinforce safe behaviors against these perturbations. Experiments show BEEAR reduces the success rate of RLHF time backdoor attacks from >95% to <1% and from 47% to 0% for instruction-tuning time backdoors targeting malicious code generation, without compromising model utility. Requiring only defender-defined safe and unwanted behaviors, BEEAR represents a step towards practical defenses against safety backdoors in LLMs, providing a foundation for further advancements in AI safety and security.

This paper proposes a new method to infer keypoints from arbitrary object categories in practical scenarios where point cloud data (PCD) are noisy, down-sampled and arbitrarily rotated. Our proposed model adheres to the following principles: i) keypoints inference is fully unsupervised (no annotation given), ii) keypoints position error should be low and resilient to PCD perturbations (robustness), iii) keypoints should not change their indexes for the intra-class objects (semantic coherence), iv) keypoints should be close to or proximal to PCD surface (compactness). We achieve these desiderata by proposing a new self-supervised training strategy for keypoints estimation that does not assume any a priori knowledge of the object class, and a model architecture with coupled auxiliary losses that promotes the desired keypoints properties. We compare the keypoints estimated by the proposed approach with those of the state-of-the-art unsupervised approaches. The experiments show that our approach outperforms by estimating keypoints with improved coverage (+9.41%) while being semantically consistent (+4.66%) that best characterizes the object's 3D shape for downstream tasks. Code and data are available at: https://github.com/IITPAVIS/SC3K

Low-Rank Adaptation (LoRA) is the bread and butter of Large Language Model (LLM) finetuning. LoRA learns an additive low-rank perturbation, AB, of a pretrained matrix parameter W to align the model to a new task or dataset with W+AB. We identify three core limitations to LoRA for finetuning--a setting that employs limited amount of data and training steps. First, LoRA employs Dropout to prevent overfitting. We prove that Dropout is only suitable for long training episodes but fails to converge to a reliable regularizer for short training episodes. Second, LoRA's initialization of B at 0 creates a slow training dynamic between A and B. That dynamic is also exacerbated by Dropout that further slows the escape from 0 for B which is particularly harmful for short training episodes. Third, the scaling factor multiplying each LoRA additive perturbation creates ``short-sighted'' interactions between the LoRA modules of different layers. Motivated by principled analysis of those limitations, we find an elegant solution: a Dropout-free, scaling-free, LoRA with Adaptive Learning rate--coined ALLoRA. By scaling the per sample and per parameter gradients with a coefficient inversely proportional to parameters' ell_2 norm, ALLoRA alleviates those three limitations. As a by-product, ALLoRA removes two hyper-parameters from LoRA: the scaling factor and the dropout rate. Empirical results show that ALLoRA admits better accuracy than LoRA on various settings, including against recent LoRA variants such as Weight-Decomposed Low-Rank Adaptation (DoRA). Ablation studies show our solution is the optimal in a family of weight-dependent / output-dependent approaches on various LLMs including the latest Llama3.

We present FACESEC, a framework for fine-grained robustness evaluation of face recognition systems. FACESEC evaluation is performed along four dimensions of adversarial modeling: the nature of perturbation (e.g., pixel-level or face accessories), the attacker's system knowledge (about training data and learning architecture), goals (dodging or impersonation), and capability (tailored to individual inputs or across sets of these). We use FACESEC to study five face recognition systems in both closed-set and open-set settings, and to evaluate the state-of-the-art approach for defending against physically realizable attacks on these. We find that accurate knowledge of neural architecture is significantly more important than knowledge of the training data in black-box attacks. Moreover, we observe that open-set face recognition systems are more vulnerable than closed-set systems under different types of attacks. The efficacy of attacks for other threat model variations, however, appears highly dependent on both the nature of perturbation and the neural network architecture. For example, attacks that involve adversarial face masks are usually more potent, even against adversarially trained models, and the ArcFace architecture tends to be more robust than the others.

There has been a recent surge of interest in modeling neural networks (NNs) as Gaussian processes. In the limit of a NN of infinite width the NN becomes equivalent to a Gaussian process. Here we demonstrate that for an ensemble of large, finite, fully connected networks with a single hidden layer the distribution of outputs at initialization is well described by a Gaussian perturbed by the fourth Hermite polynomial for weights drawn from a symmetric distribution. We show that the scale of the perturbation is inversely proportional to the number of units in the NN and that higher order terms decay more rapidly, thereby recovering the Edgeworth expansion. We conclude by observing that understanding how this perturbation changes under training would reveal the regimes in which the Gaussian process framework is valid to model NN behavior.

We introduce a new tool for interpreting neural net responses, namely full-gradients, which decomposes the neural net response into input sensitivity and per-neuron sensitivity components. This is the first proposed representation which satisfies two key properties: completeness and weak dependence, which provably cannot be satisfied by any saliency map-based interpretability method. For convolutional nets, we also propose an approximate saliency map representation, called FullGrad, obtained by aggregating the full-gradient components. We experimentally evaluate the usefulness of FullGrad in explaining model behaviour with two quantitative tests: pixel perturbation and remove-and-retrain. Our experiments reveal that our method explains model behaviour correctly, and more comprehensively than other methods in the literature. Visual inspection also reveals that our saliency maps are sharper and more tightly confined to object regions than other methods.

We show that Large Language Model from Power Law Decoder Representations (PLDR-LLM) is a foundational model whose deductive outputs are invariant tensors up to a small perturbation. PLDR-LLM learns a singularity condition for the deductive outputs that enable the once-inferred energy-curvature tensor G_{LM} to replace the deep neural network of power law graph attention (PLGA) generating the deductive outputs at inference. We demonstrate that a cache for G_{LM} (G-cache) and KV-cache can be implemented in a straightforward manner to improve the inference time. The invariance and generalizable nature of deductive outputs is at a very high fidelity where deductive outputs have same RMSE and determinant values up to 15 decimal places after caching, and zero-shot benchmark scores remain unchanged. Ablation studies show that learned deductive outputs have distinct loss and accuracy characteristics from models pretrained with transferred, randomly initialized or identity tensors as a constant tensor operator and an LLM with scaled-dot product attention (SDPA) is a special case of PLDR-LLM where G_{LM} is predefined as identity. The observed invariance characteristic introduces a novel asymmetry between training and inference phases with caching. We outline observed common characteristics of the deductive outputs for the learned singularity condition. We provide an implementation of a training and inference framework for PLDR-LLM with KV-cache and G-cache.

Breakthroughs in machine learning (ML) and advances in quantum computing (QC) drive the interdisciplinary field of quantum machine learning to new levels. However, due to the susceptibility of ML models to adversarial attacks, practical use raises safety-critical concerns. Existing Randomized Smoothing (RS) certification methods for classical machine learning models are computationally intensive. In this paper, we propose the combination of QC and the concept of discrete randomized smoothing to speed up the stochastic certification of ML models for discrete data. We show how to encode all the perturbations of the input binary data in superposition and use Quantum Amplitude Estimation (QAE) to obtain a quadratic reduction in the number of calls to the model that are required compared to traditional randomized smoothing techniques. In addition, we propose a new binary threat model to allow for an extensive evaluation of our approach on images, graphs, and text.

Modern image-to-text systems typically adopt the encoder-decoder framework, which comprises two main components: an image encoder, responsible for extracting image features, and a transformer-based decoder, used for generating captions. Taking inspiration from the analysis of neural networks' robustness against adversarial perturbations, we propose a novel gray-box algorithm for creating adversarial examples in image-to-text models. Unlike image classification tasks that have a finite set of class labels, finding visually similar adversarial examples in an image-to-text task poses greater challenges because the captioning system allows for a virtually infinite space of possible captions. In this paper, we present a gray-box adversarial attack on image-to-text, both untargeted and targeted. We formulate the process of discovering adversarial perturbations as an optimization problem that uses only the image-encoder component, meaning the proposed attack is language-model agnostic. Through experiments conducted on the ViT-GPT2 model, which is the most-used image-to-text model in Hugging Face, and the Flickr30k dataset, we demonstrate that our proposed attack successfully generates visually similar adversarial examples, both with untargeted and targeted captions. Notably, our attack operates in a gray-box manner, requiring no knowledge about the decoder module. We also show that our attacks fool the popular open-source platform Hugging Face.

Deep neural networks (DNNs) are now commonly used in many domains. However, they are vulnerable to adversarial attacks: carefully crafted perturbations on data inputs that can fool a model into making incorrect predictions. Despite significant research on developing DNN attack and defense techniques, people still lack an understanding of how such attacks penetrate a model's internals. We present Bluff, an interactive system for visualizing, characterizing, and deciphering adversarial attacks on vision-based neural networks. Bluff allows people to flexibly visualize and compare the activation pathways for benign and attacked images, revealing mechanisms that adversarial attacks employ to inflict harm on a model. Bluff is open-sourced and runs in modern web browsers.

Large language models (LLMs) have demonstrated outstanding performance in various tasks, such as text summarization, text question-answering, and etc. While their performance is impressive, the computational footprint due to their vast number of parameters can be prohibitive. Existing solutions such as SparseGPT and Wanda attempt to alleviate this issue through weight pruning. However, their layer-wise approach results in significant perturbation to the model's output and requires meticulous hyperparameter tuning, such as the pruning rate, which can adversely affect overall model performance. To address this, this paper introduces a novel LLM pruning technique dubbed blockwise parameter-efficient sparsity allocation (BESA) by applying a blockwise reconstruction loss. In contrast to the typical layer-wise pruning techniques, BESA is characterized by two distinctive attributes: i) it targets the overall pruning error with respect to individual transformer blocks, and ii) it allocates layer-specific sparsity in a differentiable manner, both of which ensure reduced performance degradation after pruning. Our experiments show that BESA achieves state-of-the-art performance, efficiently pruning LLMs like LLaMA1, and LLaMA2 with 7B to 70B parameters on a single A100 GPU in just five hours. Code is available at https://github.com/OpenGVLab/LLMPrune-BESA{here}.

In recent years, many neural network (NN) verifiers have been developed to formally verify certain properties of neural networks such as robustness. Although many benchmarks have been constructed to evaluate the performance of NN verifiers, they typically lack a ground-truth for hard instances where no current verifier can verify and no counterexample can be found, which makes it difficult to check the soundness of a new verifier if it claims to verify hard instances which no other verifier can do. We propose to develop a soundness benchmark for NN verification. Our benchmark contains instances with deliberately inserted counterexamples while we also try to hide the counterexamples from regular adversarial attacks which can be used for finding counterexamples. We design a training method to produce neural networks with such hidden counterexamples. Our benchmark aims to be used for testing the soundness of NN verifiers and identifying falsely claimed verifiability when it is known that hidden counterexamples exist. We systematically construct our benchmark and generate instances across diverse model architectures, activation functions, input sizes, and perturbation radii. We demonstrate that our benchmark successfully identifies bugs in state-of-the-art NN verifiers, as well as synthetic bugs, providing a crucial step toward enhancing the reliability of testing NN verifiers. Our code is available at https://github.com/MVP-Harry/SoundnessBench and our benchmark is available at https://huggingface.co/datasets/SoundnessBench/SoundnessBench.

Analysis of 3D segmentation models, especially in the context of medical imaging, is often limited to segmentation performance metrics that overlook the crucial aspect of explainability and bias. Currently, effectively explaining these models with saliency maps is challenging due to the high dimensions of input images multiplied by the ever-growing number of segmented class labels. To this end, we introduce Agg^2Exp, a methodology for aggregating fine-grained voxel attributions of the segmentation model's predictions. Unlike classical explanation methods that primarily focus on the local feature attribution, Agg^2Exp enables a more comprehensive global view on the importance of predicted segments in 3D images. Our benchmarking experiments show that gradient-based voxel attributions are more faithful to the model's predictions than perturbation-based explanations. As a concrete use-case, we apply Agg^2Exp to discover knowledge acquired by the Swin UNEt TRansformer model trained on the TotalSegmentator v2 dataset for segmenting anatomical structures in computed tomography medical images. Agg^2Exp facilitates the explanatory analysis of large segmentation models beyond their predictive performance.

Large Language Models (LLMs) are increasingly used as powerful tools for a plethora of natural language processing (NLP) applications. A recent innovation, in-context learning (ICL), enables LLMs to learn new tasks by supplying a few examples in the prompt during inference time, thereby eliminating the need for model fine-tuning. While LLMs have been utilized in several applications, their applicability in explaining the behavior of other models remains relatively unexplored. Despite the growing number of new explanation techniques, many require white-box access to the model and/or are computationally expensive, highlighting a need for next-generation post hoc explainers. In this work, we present the first framework to study the effectiveness of LLMs in explaining other predictive models. More specifically, we propose a novel framework encompassing multiple prompting strategies: i) Perturbation-based ICL, ii) Prediction-based ICL, iii) Instruction-based ICL, and iv) Explanation-based ICL, with varying levels of information about the underlying ML model and the local neighborhood of the test sample. We conduct extensive experiments with real-world benchmark datasets to demonstrate that LLM-generated explanations perform on par with state-of-the-art post hoc explainers using their ability to leverage ICL examples and their internal knowledge in generating model explanations. On average, across four datasets and two ML models, we observe that LLMs identify the most important feature with 72.19% accuracy, opening up new frontiers in explainable artificial intelligence (XAI) to explore LLM-based explanation frameworks.

We propose a methodology for planting watermarks in text from an autoregressive language model that are robust to perturbations without changing the distribution over text up to a certain maximum generation budget. We generate watermarked text by mapping a sequence of random numbers -- which we compute using a randomized watermark key -- to a sample from the language model. To detect watermarked text, any party who knows the key can align the text to the random number sequence. We instantiate our watermark methodology with two sampling schemes: inverse transform sampling and exponential minimum sampling. We apply these watermarks to three language models -- OPT-1.3B, LLaMA-7B and Alpaca-7B -- to experimentally validate their statistical power and robustness to various paraphrasing attacks. Notably, for both the OPT-1.3B and LLaMA-7B models, we find we can reliably detect watermarked text (p leq 0.01) from 35 tokens even after corrupting between 40-50\% of the tokens via random edits (i.e., substitutions, insertions or deletions). For the Alpaca-7B model, we conduct a case study on the feasibility of watermarking responses to typical user instructions. Due to the lower entropy of the responses, detection is more difficult: around 25% of the responses -- whose median length is around 100 tokens -- are detectable with p leq 0.01, and the watermark is also less robust to certain automated paraphrasing attacks we implement.

Large language models (LLMs) are shown to possess a wealth of actionable knowledge that can be extracted for robot manipulation in the form of reasoning and planning. Despite the progress, most still rely on pre-defined motion primitives to carry out the physical interactions with the environment, which remains a major bottleneck. In this work, we aim to synthesize robot trajectories, i.e., a dense sequence of 6-DoF end-effector waypoints, for a large variety of manipulation tasks given an open-set of instructions and an open-set of objects. We achieve this by first observing that LLMs excel at inferring affordances and constraints given a free-form language instruction. More importantly, by leveraging their code-writing capabilities, they can interact with a visual-language model (VLM) to compose 3D value maps to ground the knowledge into the observation space of the agent. The composed value maps are then used in a model-based planning framework to zero-shot synthesize closed-loop robot trajectories with robustness to dynamic perturbations. We further demonstrate how the proposed framework can benefit from online experiences by efficiently learning a dynamics model for scenes that involve contact-rich interactions. We present a large-scale study of the proposed method in both simulated and real-robot environments, showcasing the ability to perform a large variety of everyday manipulation tasks specified in free-form natural language. Project website: https://voxposer.github.io

Modern machine learning models are sensitive to the manipulation of both the training data (poisoning attacks) and inference data (adversarial examples). Recognizing this issue, the community has developed many empirical defenses against both attacks and, more recently, provable certification methods against inference-time attacks. However, such guarantees are still largely lacking for training-time attacks. In this work, we present FullCert, the first end-to-end certifier with sound, deterministic bounds, which proves robustness against both training-time and inference-time attacks. We first bound all possible perturbations an adversary can make to the training data under the considered threat model. Using these constraints, we bound the perturbations' influence on the model's parameters. Finally, we bound the impact of these parameter changes on the model's prediction, resulting in joint robustness guarantees against poisoning and adversarial examples. To facilitate this novel certification paradigm, we combine our theoretical work with a new open-source library BoundFlow, which enables model training on bounded datasets. We experimentally demonstrate FullCert's feasibility on two different datasets.

Inverse reinforcement learning (IRL) aims to infer an agent's preferences (represented as a reward function R) from their behaviour (represented as a policy pi). To do this, we need a behavioural model of how pi relates to R. In the current literature, the most common behavioural models are optimality, Boltzmann-rationality, and causal entropy maximisation. However, the true relationship between a human's preferences and their behaviour is much more complex than any of these behavioural models. This means that the behavioural models are misspecified, which raises the concern that they may lead to systematic errors if applied to real data. In this paper, we analyse how sensitive the IRL problem is to misspecification of the behavioural model. Specifically, we provide necessary and sufficient conditions that completely characterise how the observed data may differ from the assumed behavioural model without incurring an error above a given threshold. In addition to this, we also characterise the conditions under which a behavioural model is robust to small perturbations of the observed policy, and we analyse how robust many behavioural models are to misspecification of their parameter values (such as e.g.\ the discount rate). Our analysis suggests that the IRL problem is highly sensitive to misspecification, in the sense that very mild misspecification can lead to very large errors in the inferred reward function.

With the rapid advancement in video generation, people can conveniently utilize video generation models to create videos tailored to their specific desires. Nevertheless, there are also growing concerns about their potential misuse in creating and disseminating false information. In this work, we introduce VGMShield: a set of three straightforward but pioneering mitigations through the lifecycle of fake video generation. We start from fake video detection trying to understand whether there is uniqueness in generated videos and whether we can differentiate them from real videos; then, we investigate the tracing problem, which maps a fake video back to a model that generates it. Towards these, we propose to leverage pre-trained models that focus on {\it spatial-temporal dynamics} as the backbone to identify inconsistencies in videos. Through experiments on seven state-of-the-art open-source models, we demonstrate that current models still cannot perfectly handle spatial-temporal relationships, and thus, we can accomplish detection and tracing with nearly perfect accuracy. Furthermore, anticipating future generative model improvements, we propose a {\it prevention} method that adds invisible perturbations to images to make the generated videos look unreal. Together with fake video detection and tracing, our multi-faceted set of solutions can effectively mitigate misuse of video generative models.

Semantic segmentation methods have advanced significantly. Still, their robustness to real-world perturbations and object types not seen during training remains a challenge, particularly in safety-critical applications. We propose a novel approach to improve the robustness of semantic segmentation techniques by leveraging the synergy between label-to-image generators and image-to-label segmentation models. Specifically, we design Robusta, a novel robust conditional generative adversarial network to generate realistic and plausible perturbed images that can be used to train reliable segmentation models. We conduct in-depth studies of the proposed generative model, assess the performance and robustness of the downstream segmentation network, and demonstrate that our approach can significantly enhance the robustness in the face of real-world perturbations, distribution shifts, and out-of-distribution samples. Our results suggest that this approach could be valuable in safety-critical applications, where the reliability of perception modules such as semantic segmentation is of utmost importance and comes with a limited computational budget in inference. We release our code at https://github.com/ENSTA-U2IS/robusta.

Contrast consistency, the ability of a model to make consistently correct predictions in the presence of perturbations, is an essential aspect in NLP. While studied in tasks such as sentiment analysis and reading comprehension, it remains unexplored in open-domain question answering (OpenQA) due to the difficulty of collecting perturbed questions that satisfy factuality requirements. In this work, we collect minimally edited questions as challenging contrast sets to evaluate OpenQA models. Our collection approach combines both human annotation and large language model generation. We find that the widely used dense passage retriever (DPR) performs poorly on our contrast sets, despite fitting the training set well and performing competitively on standard test sets. To address this issue, we introduce a simple and effective query-side contrastive loss with the aid of data augmentation to improve DPR training. Our experiments on the contrast sets demonstrate that DPR's contrast consistency is improved without sacrificing its accuracy on the standard test sets.

Fairness is essential for machine learning systems deployed in high-stake applications. Among all fairness notions, individual fairness, deriving from a consensus that `similar individuals should be treated similarly,' is a vital notion to describe fair treatment for individual cases. Previous studies typically characterize individual fairness as a prediction-invariant problem when perturbing sensitive attributes on samples, and solve it by Distributionally Robust Optimization (DRO) paradigm. However, such adversarial perturbations along a direction covering sensitive information used in DRO do not consider the inherent feature correlations or innate data constraints, therefore could mislead the model to optimize at off-manifold and unrealistic samples. In light of this drawback, in this paper, we propose to learn and generate antidote data that approximately follows the data distribution to remedy individual unfairness. These generated on-manifold antidote data can be used through a generic optimization procedure along with original training data, resulting in a pure pre-processing approach to individual unfairness, or can also fit well with the in-processing DRO paradigm. Through extensive experiments on multiple tabular datasets, we demonstrate our method resists individual unfairness at a minimal or zero cost to predictive utility compared to baselines.

Self-supervised learning of graph neural networks (GNNs) aims to learn an accurate representation of the graphs in an unsupervised manner, to obtain transferable representations of them for diverse downstream tasks. Predictive learning and contrastive learning are the two most prevalent approaches for graph self-supervised learning. However, they have their own drawbacks. While the predictive learning methods can learn the contextual relationships between neighboring nodes and edges, they cannot learn global graph-level similarities. Contrastive learning, while it can learn global graph-level similarities, its objective to maximize the similarity between two differently perturbed graphs may result in representations that cannot discriminate two similar graphs with different properties. To tackle such limitations, we propose a framework that aims to learn the exact discrepancy between the original and the perturbed graphs, coined as Discrepancy-based Self-supervised LeArning (D-SLA). Specifically, we create multiple perturbations of the given graph with varying degrees of similarity, and train the model to predict whether each graph is the original graph or the perturbed one. Moreover, we further aim to accurately capture the amount of discrepancy for each perturbed graph using the graph edit distance. We validate our D-SLA on various graph-related downstream tasks, including molecular property prediction, protein function prediction, and link prediction tasks, on which ours largely outperforms relevant baselines.

Hallucinations are a type of output error produced by deep neural networks. While this has been studied in natural language processing, they have not been researched previously in automatic speech recognition. Here, we define hallucinations in ASR as transcriptions generated by a model that are semantically unrelated to the source utterance, yet still fluent and coherent. The similarity of hallucinations to probable natural language outputs of the model creates a danger of deception and impacts the credibility of the system. We show that commonly used metrics, such as word error rates, cannot differentiate between hallucinatory and non-hallucinatory models. To address this, we propose a perturbation-based method for assessing the susceptibility of an automatic speech recognition (ASR) model to hallucination at test time, which does not require access to the training dataset. We demonstrate that this method helps to distinguish between hallucinatory and non-hallucinatory models that have similar baseline word error rates. We further explore the relationship between the types of ASR errors and the types of dataset noise to determine what types of noise are most likely to create hallucinatory outputs. We devise a framework for identifying hallucinations by analysing their semantic connection with the ground truth and their fluency. Finally, we discover how to induce hallucinations with a random noise injection to the utterance.

We demonstrate how images and sounds can be used for indirect prompt and instruction injection in multi-modal LLMs. An attacker generates an adversarial perturbation corresponding to the prompt and blends it into an image or audio recording. When the user asks the (unmodified, benign) model about the perturbed image or audio, the perturbation steers the model to output the attacker-chosen text and/or make the subsequent dialog follow the attacker's instruction. We illustrate this attack with several proof-of-concept examples targeting LLaVa and PandaGPT.

Multimodal Large Language Models excel in various tasks, yet often struggle with modality bias, where the model tends to rely heavily on a single modality and overlook critical information in other modalities, which leads to incorrect focus and generating irrelevant responses. In this paper, we propose using the paradigm of preference optimization to solve the modality bias problem, including RLAIFVBias, a debiased preference optimization dataset, and a Noise Aware Preference Optimization algorithm. Specifically, we first construct the dataset by introducing perturbations to reduce the informational content of certain modalities, compelling the model to rely on a specific modality when generating negative responses. To address the inevitable noise in automatically constructed data, we combine the noise robust Mean Absolute Error with the Binary Cross Entropy in Direct Preference Optimization by a negative Box Cox transformation, and dynamically adjust the algorithm noise robustness based on the evaluated noise levels in the data. Extensive experiments validate our approach, demonstrating not only its effectiveness in mitigating modality bias but also its significant role in minimizing hallucinations.

With the maturity of depth sensors, the vulnerability of 3D point cloud models has received increasing attention in various applications such as autonomous driving and robot navigation. Previous 3D adversarial attackers either follow the white-box setting to iteratively update the coordinate perturbations based on gradients, or utilize the output model logits to estimate noisy gradients in the black-box setting. However, these attack methods are hard to be deployed in real-world scenarios since realistic 3D applications will not share any model details to users. Therefore, we explore a more challenging yet practical 3D attack setting, i.e., attacking point clouds with black-box hard labels, in which the attacker can only have access to the prediction label of the input. To tackle this setting, we propose a novel 3D attack method, termed 3D Hard-label attacker (3DHacker), based on the developed decision boundary algorithm to generate adversarial samples solely with the knowledge of class labels. Specifically, to construct the class-aware model decision boundary, 3DHacker first randomly fuses two point clouds of different classes in the spectral domain to craft their intermediate sample with high imperceptibility, then projects it onto the decision boundary via binary search. To restrict the final perturbation size, 3DHacker further introduces an iterative optimization strategy to move the intermediate sample along the decision boundary for generating adversarial point clouds with smallest trivial perturbations. Extensive evaluations show that, even in the challenging hard-label setting, 3DHacker still competitively outperforms existing 3D attacks regarding the attack performance as well as adversary quality.

Traditional systems designed for task oriented dialog utilize knowledge present only in structured knowledge sources to generate responses. However, relevant information required to generate responses may also reside in unstructured sources, such as documents. Recent state of the art models such as HyKnow and SeKnow aimed at overcoming these challenges make limiting assumptions about the knowledge sources. For instance, these systems assume that certain types of information, such as a phone number, is always present in a structured knowledge base (KB) while information about aspects such as entrance ticket prices, would always be available in documents. In this paper, we create a modified version of the MutliWOZ-based dataset prepared by SeKnow to demonstrate how current methods have significant degradation in performance when strict assumptions about the source of information are removed. Then, in line with recent work exploiting pre-trained language models, we fine-tune a BART based model using prompts for the tasks of querying knowledge sources, as well as, for response generation, without making assumptions about the information present in each knowledge source. Through a series of experiments, we demonstrate that our model is robust to perturbations to knowledge modality (source of information), and that it can fuse information from structured as well as unstructured knowledge to generate responses.

With growing capabilities of large language models, prompting them has become the dominant way to access them. This has motivated the development of strategies for automatically selecting effective language prompts. In this paper, we introduce prompt flatness, a new metric to quantify the expected utility of a language prompt. This metric is inspired by flatness regularization in statistical learning that quantifies the robustness of the model towards its parameter perturbations. We provide theoretical foundations for this metric and its relationship with other prompt selection metrics, providing a comprehensive understanding of existing methods. Empirically, we show that combining prompt flatness with existing metrics improves both performance and sample efficiency. Our metric outperforms the previous prompt selection metrics with an average increase of 5% in accuracy and 10% in Pearson correlation across 6 classification benchmarks.

Several works have proposed Simplicity Bias (SB)---the tendency of standard training procedures such as Stochastic Gradient Descent (SGD) to find simple models---to justify why neural networks generalize well [Arpit et al. 2017, Nakkiran et al. 2019, Soudry et al. 2018]. However, the precise notion of simplicity remains vague. Furthermore, previous settings that use SB to theoretically justify why neural networks generalize well do not simultaneously capture the non-robustness of neural networks---a widely observed phenomenon in practice [Goodfellow et al. 2014, Jo and Bengio 2017]. We attempt to reconcile SB and the superior standard generalization of neural networks with the non-robustness observed in practice by designing datasets that (a) incorporate a precise notion of simplicity, (b) comprise multiple predictive features with varying levels of simplicity, and (c) capture the non-robustness of neural networks trained on real data. Through theory and empirics on these datasets, we make four observations: (i) SB of SGD and variants can be extreme: neural networks can exclusively rely on the simplest feature and remain invariant to all predictive complex features. (ii) The extreme aspect of SB could explain why seemingly benign distribution shifts and small adversarial perturbations significantly degrade model performance. (iii) Contrary to conventional wisdom, SB can also hurt generalization on the same data distribution, as SB persists even when the simplest feature has less predictive power than the more complex features. (iv) Common approaches to improve generalization and robustness---ensembles and adversarial training---can fail in mitigating SB and its pitfalls. Given the role of SB in training neural networks, we hope that the proposed datasets and methods serve as an effective testbed to evaluate novel algorithmic approaches aimed at avoiding the pitfalls of SB.

Text-driven large scene image synthesis has made significant progress with diffusion models, but controlling it is challenging. While using additional spatial controls with corresponding texts has improved the controllability of large scene synthesis, it is still challenging to faithfully reflect detailed text descriptions without user-provided controls. Here, we propose DetText2Scene, a novel text-driven large-scale image synthesis with high faithfulness, controllability, and naturalness in a global context for the detailed human-centric text description. Our DetText2Scene consists of 1) hierarchical keypoint-box layout generation from the detailed description by leveraging large language model (LLM), 2) view-wise conditioned joint diffusion process to synthesize a large scene from the given detailed text with LLM-generated grounded keypoint-box layout and 3) pixel perturbation-based pyramidal interpolation to progressively refine the large scene for global coherence. Our DetText2Scene significantly outperforms prior arts in text-to-large scene synthesis qualitatively and quantitatively, demonstrating strong faithfulness with detailed descriptions, superior controllability, and excellent naturalness in a global context.

Federated learning (FL) offers a compelling framework for training large language models (LLMs) while addressing data privacy and decentralization challenges. This paper surveys recent advancements in the federated learning of large language models, with a particular focus on machine unlearning, a crucial aspect for complying with privacy regulations like the Right to be Forgotten. Machine unlearning in the context of federated LLMs involves systematically and securely removing individual data contributions from the learned model without retraining from scratch. We explore various strategies that enable effective unlearning, such as perturbation techniques, model decomposition, and incremental learning, highlighting their implications for maintaining model performance and data privacy. Furthermore, we examine case studies and experimental results from recent literature to assess the effectiveness and efficiency of these approaches in real-world scenarios. Our survey reveals a growing interest in developing more robust and scalable federated unlearning methods, suggesting a vital area for future research in the intersection of AI ethics and distributed machine learning technologies.

Applying a pre-trained large model to downstream tasks is prohibitive under resource-constrained conditions. Recent dominant approaches for addressing efficiency issues involve adding a few learnable parameters to the fixed backbone model. This strategy, however, leads to more challenges in loading large models for downstream fine-tuning with limited resources. In this paper, we propose a novel method for increasing the parameter efficiency of pre-trained models by introducing an intermediate pre-training stage. To this end, we first employ low-rank approximation to compress the original large model and then devise a feature distillation module and a weight perturbation regularization module. These modules are specifically designed to enhance the low-rank model. In particular, we update only the low-rank model while freezing the backbone parameters during pre-training. This allows for direct and efficient utilization of the low-rank model for downstream fine-tuning tasks. The proposed method achieves both efficiencies in terms of required parameters and computation time while maintaining comparable results with minimal modifications to the backbone architecture. Specifically, when applied to three vision-only and one vision-language Transformer models, our approach often demonstrates a merely sim0.6 point decrease in performance while reducing the original parameter size by 1/3 to 2/3.

The widespread online communication in a modern multilingual world has provided opportunities to blend more than one language (aka code-mixed language) in a single utterance. This has resulted a formidable challenge for the computational models due to the scarcity of annotated data and presence of noise. A potential solution to mitigate the data scarcity problem in low-resource setup is to leverage existing data in resource-rich language through translation. In this paper, we tackle the problem of code-mixed (Hinglish and Bengalish) to English machine translation. First, we synthetically develop HINMIX, a parallel corpus of Hinglish to English, with ~4.2M sentence pairs. Subsequently, we propose RCMT, a robust perturbation based joint-training model that learns to handle noise in the real-world code-mixed text by parameter sharing across clean and noisy words. Further, we show the adaptability of RCMT in a zero-shot setup for Bengalish to English translation. Our evaluation and comprehensive analyses qualitatively and quantitatively demonstrate the superiority of RCMT over state-of-the-art code-mixed and robust translation methods.

The deep neural networks are known to be vulnerable to well-designed adversarial attacks. The most successful defense technique based on adversarial training (AT) can achieve optimal robustness against particular attacks but cannot generalize well to unseen attacks. Another effective defense technique based on adversarial purification (AP) can enhance generalization but cannot achieve optimal robustness. Meanwhile, both methods share one common limitation on the degraded standard accuracy. To mitigate these issues, we propose a novel pipeline to acquire the robust purifier model, named Adversarial Training on Purification (AToP), which comprises two components: perturbation destruction by random transforms (RT) and purifier model fine-tuned (FT) by adversarial loss. RT is essential to avoid overlearning to known attacks, resulting in the robustness generalization to unseen attacks, and FT is essential for the improvement of robustness. To evaluate our method in an efficient and scalable way, we conduct extensive experiments on CIFAR-10, CIFAR-100, and ImageNette to demonstrate that our method achieves optimal robustness and exhibits generalization ability against unseen attacks.

Deep Gradient Leakage (DGL) is a highly effective attack that recovers private training images from gradient vectors. This attack casts significant privacy challenges on distributed learning from clients with sensitive data, where clients are required to share gradients. Defending against such attacks requires but lacks an understanding of when and how privacy leakage happens, mostly because of the black-box nature of deep networks. In this paper, we propose a novel Inversion Influence Function (I^2F) that establishes a closed-form connection between the recovered images and the private gradients by implicitly solving the DGL problem. Compared to directly solving DGL, I^2F is scalable for analyzing deep networks, requiring only oracle access to gradients and Jacobian-vector products. We empirically demonstrate that I^2F effectively approximated the DGL generally on different model architectures, datasets, attack implementations, and noise-based defenses. With this novel tool, we provide insights into effective gradient perturbation directions, the unfairness of privacy protection, and privacy-preferred model initialization. Our codes are provided in https://github.com/illidanlab/inversion-influence-function.

We investigate the efficacy of visual prompting to adapt large-scale models in vision. Following the recent approach from prompt tuning and adversarial reprogramming, we learn a single image perturbation such that a frozen model prompted with this perturbation performs a new task. Through comprehensive experiments, we demonstrate that visual prompting is particularly effective for CLIP and robust to distribution shift, achieving performance competitive with standard linear probes. We further analyze properties of the downstream dataset, prompt design, and output transformation in regard to adaptation performance. The surprising effectiveness of visual prompting provides a new perspective on adapting pre-trained models in vision. Code is available at http://hjbahng.github.io/visual_prompting .

Large Language Models (LLMs) have shown to be capable of various tasks, yet their capability in interpreting and reasoning over tabular data remains an underexplored area. In this context, this study investigates from three core perspectives: the robustness of LLMs to structural perturbations in tables, the comparative analysis of textual and symbolic reasoning on tables, and the potential of boosting model performance through the aggregation of multiple reasoning pathways. We discover that structural variance of tables presenting the same content reveals a notable performance decline, particularly in symbolic reasoning tasks. This prompts the proposal of a method for table structure normalization. Moreover, textual reasoning slightly edges out symbolic reasoning, and a detailed error analysis reveals that each exhibits different strengths depending on the specific tasks. Notably, the aggregation of textual and symbolic reasoning pathways, bolstered by a mix self-consistency mechanism, resulted in achieving SOTA performance, with an accuracy of 73.6% on WIKITABLEQUESTIONS, representing a substantial advancement over previous existing table processing paradigms of LLMs.

With the growth of model and data sizes, a broad effort has been made to design pruning techniques that reduce the resource demand of deep learning pipelines, while retaining model performance. In order to reduce both inference and training costs, a prominent line of work uses low-rank matrix factorizations to represent the network weights. Although able to retain accuracy, we observe that low-rank methods tend to compromise model robustness against adversarial perturbations. By modeling robustness in terms of the condition number of the neural network, we argue that this loss of robustness is due to the exploding singular values of the low-rank weight matrices. Thus, we introduce a robust low-rank training algorithm that maintains the network's weights on the low-rank matrix manifold while simultaneously enforcing approximate orthonormal constraints. The resulting model reduces both training and inference costs while ensuring well-conditioning and thus better adversarial robustness, without compromising model accuracy. This is shown by extensive numerical evidence and by our main approximation theorem that shows the computed robust low-rank network well-approximates the ideal full model, provided a highly performing low-rank sub-network exists.

Semi-supervised image segmentation has attracted great attention recently. The key is how to leverage unlabeled images in the training process. Most methods maintain consistent predictions of the unlabeled images under variations (e.g., adding noise/perturbations, or creating alternative versions) in the image and/or model level. In most image-level variation, medical images often have prior structure information, which has not been well explored. In this paper, we propose novel dual structure-aware image filterings (DSAIF) as the image-level variations for semi-supervised medical image segmentation. Motivated by connected filtering that simplifies image via filtering in structure-aware tree-based image representation, we resort to the dual contrast invariant Max-tree and Min-tree representation. Specifically, we propose a novel connected filtering that removes topologically equivalent nodes (i.e. connected components) having no siblings in the Max/Min-tree. This results in two filtered images preserving topologically critical structure. Applying the proposed DSAIF to mutually supervised networks decreases the consensus of their erroneous predictions on unlabeled images. This helps to alleviate the confirmation bias issue of overfitting to noisy pseudo labels of unlabeled images, and thus effectively improves the segmentation performance. Extensive experimental results on three benchmark datasets demonstrate that the proposed method significantly/consistently outperforms some state-of-the-art methods. The source codes will be publicly available.

Neural ranking models (NRMs) have shown remarkable success in recent years, especially with pre-trained language models. However, deep neural models are notorious for their vulnerability to adversarial examples. Adversarial attacks may become a new type of web spamming technique given our increased reliance on neural information retrieval models. Therefore, it is important to study potential adversarial attacks to identify vulnerabilities of NRMs before they are deployed. In this paper, we introduce the Word Substitution Ranking Attack (WSRA) task against NRMs, which aims to promote a target document in rankings by adding adversarial perturbations to its text. We focus on the decision-based black-box attack setting, where the attackers cannot directly get access to the model information, but can only query the target model to obtain the rank positions of the partial retrieved list. This attack setting is realistic in real-world search engines. We propose a novel Pseudo Relevance-based ADversarial ranking Attack method (PRADA) that learns a surrogate model based on Pseudo Relevance Feedback (PRF) to generate gradients for finding the adversarial perturbations. Experiments on two web search benchmark datasets show that PRADA can outperform existing attack strategies and successfully fool the NRM with small indiscernible perturbations of text.

Training a model for grammatical error correction (GEC) requires a set of labeled ungrammatical / grammatical sentence pairs, but manually annotating such pairs can be expensive. Recently, the Break-It-Fix-It (BIFI) framework has demonstrated strong results on learning to repair a broken program without any labeled examples, but this relies on a perfect critic (e.g., a compiler) that returns whether an example is valid or not, which does not exist for the GEC task. In this work, we show how to leverage a pretrained language model (LM) in defining an LM-Critic, which judges a sentence to be grammatical if the LM assigns it a higher probability than its local perturbations. We apply this LM-Critic and BIFI along with a large set of unlabeled sentences to bootstrap realistic ungrammatical / grammatical pairs for training a corrector. We evaluate our approach on GEC datasets across multiple domains (CoNLL-2014, BEA-2019, GMEG-wiki and GMEG-yahoo) and show that it outperforms existing methods in both the unsupervised setting (+7.7 F0.5) and the supervised setting (+0.5 F0.5).

Although attention mechanisms have become fundamental components of deep learning models, they are vulnerable to perturbations, which may degrade the prediction performance and model interpretability. Adversarial training (AT) for attention mechanisms has successfully reduced such drawbacks by considering adversarial perturbations. However, this technique requires label information, and thus, its use is limited to supervised settings. In this study, we explore the concept of incorporating virtual AT (VAT) into the attention mechanisms, by which adversarial perturbations can be computed even from unlabeled data. To realize this approach, we propose two general training techniques, namely VAT for attention mechanisms (Attention VAT) and "interpretable" VAT for attention mechanisms (Attention iVAT), which extend AT for attention mechanisms to a semi-supervised setting. In particular, Attention iVAT focuses on the differences in attention; thus, it can efficiently learn clearer attention and improve model interpretability, even with unlabeled data. Empirical experiments based on six public datasets revealed that our techniques provide better prediction performance than conventional AT-based as well as VAT-based techniques, and stronger agreement with evidence that is provided by humans in detecting important words in sentences. Moreover, our proposal offers these advantages without needing to add the careful selection of unlabeled data. That is, even if the model using our VAT-based technique is trained on unlabeled data from a source other than the target task, both the prediction performance and model interpretability can be improved.

The ability to remove features from the input of machine learning models is very important to understand and interpret model predictions. However, this is non-trivial for vision models since masking out parts of the input image typically causes large distribution shifts. This is because the baseline color used for masking (typically grey or black) is out of distribution. Furthermore, the shape of the mask itself can contain unwanted signals which can be used by the model for its predictions. Recently, there has been some progress in mitigating this issue (called missingness bias) in image masking for vision transformers. In this work, we propose a new masking method for CNNs we call layer masking in which the missingness bias caused by masking is reduced to a large extent. Intuitively, layer masking applies a mask to intermediate activation maps so that the model only processes the unmasked input. We show that our method (i) is able to eliminate or minimize the influence of the mask shape or color on the output of the model, and (ii) is much better than replacing the masked region by black or grey for input perturbation based interpretability techniques like LIME. Thus, layer masking is much less affected by missingness bias than other masking strategies. We also demonstrate how the shape of the mask may leak information about the class, thus affecting estimates of model reliance on class-relevant features derived from input masking. Furthermore, we discuss the role of data augmentation techniques for tackling this problem, and argue that they are not sufficient for preventing model reliance on mask shape. The code for this project is publicly available at https://github.com/SriramB-98/layer_masking

Predicting drug efficacy and safety in vivo requires information on biological responses (e.g., cell morphology and gene expression) to small molecule perturbations. However, current molecular representation learning methods do not provide a comprehensive view of cell states under these perturbations and struggle to remove noise, hindering model generalization. We introduce the Information Alignment (InfoAlign) approach to learn molecular representations through the information bottleneck method in cells. We integrate molecules and cellular response data as nodes into a context graph, connecting them with weighted edges based on chemical, biological, and computational criteria. For each molecule in a training batch, InfoAlign optimizes the encoder's latent representation with a minimality objective to discard redundant structural information. A sufficiency objective decodes the representation to align with different feature spaces from the molecule's neighborhood in the context graph. We demonstrate that the proposed sufficiency objective for alignment is tighter than existing encoder-based contrastive methods. Empirically, we validate representations from InfoAlign in two downstream tasks: molecular property prediction against up to 19 baseline methods across four datasets, plus zero-shot molecule-morphology matching.

Deep neural networks (DNNs) offer significant promise for improving breast cancer diagnosis in medical imaging. However, these models are highly susceptible to adversarial attacks--small, imperceptible changes that can mislead classifiers--raising critical concerns about their reliability and security. Traditional attacks rely on fixed-norm perturbations, misaligning with human perception. In contrast, diffusion-based attacks require pre-trained models, demanding substantial data when these models are unavailable, limiting practical use in data-scarce scenarios. In medical imaging, however, this is often unfeasible due to the limited availability of datasets. Building on recent advancements in learnable prompts, we propose Prompt2Perturb (P2P), a novel language-guided attack method capable of generating meaningful attack examples driven by text instructions. During the prompt learning phase, our approach leverages learnable prompts within the text encoder to create subtle, yet impactful, perturbations that remain imperceptible while guiding the model towards targeted outcomes. In contrast to current prompt learning-based approaches, our P2P stands out by directly updating text embeddings, avoiding the need for retraining diffusion models. Further, we leverage the finding that optimizing only the early reverse diffusion steps boosts efficiency while ensuring that the generated adversarial examples incorporate subtle noise, thus preserving ultrasound image quality without introducing noticeable artifacts. We show that our method outperforms state-of-the-art attack techniques across three breast ultrasound datasets in FID and LPIPS. Moreover, the generated images are both more natural in appearance and more effective compared to existing adversarial attacks. Our code will be publicly available https://github.com/yasamin-med/P2P.

Enhancing the robustness of deep learning models, particularly in the realm of vision transformers (ViTs), is crucial for their real-world deployment. In this work, we provide a finetuning approach to enhance the robustness of vision transformers inspired by the concept of nullspace from linear algebra. Our investigation centers on whether a vision transformer can exhibit resilience to input variations akin to the nullspace property in linear mappings, which would imply that perturbations sampled from this nullspace do not influence the model's output when added to the input. We start from the observation that many existing ViTs satisfy this property because their patch embedding layer has a non-trivial nullspace. Then, we extend the notion of nullspace to nonlinear settings and demonstrate that it is possible to synthesize approximate nullspace elements for ViT's encoder blocks through optimization. Finally, we propose a finetuning strategy for ViTs wherein we augment the training data with synthesized approximate nullspace noise. We find that our finetuning approach significantly improves the models' robustness to both adversarial and natural image perturbations.\footnote{Code is available at: https://github.com/Liu-Hy/ns-vit.

With the advancement of vision transformers (ViTs) and self-supervised learning (SSL) techniques, pre-trained large ViTs have become the new foundation models for computer vision applications. However, studies have shown that, like convolutional neural networks (CNNs), ViTs are also susceptible to adversarial attacks, where subtle perturbations in the input can fool the model into making false predictions. This paper studies the transferability of such an adversarial vulnerability from a pre-trained ViT model to downstream tasks. We focus on sample-wise transfer attacks and propose a novel attack method termed Downstream Transfer Attack (DTA). For a given test image, DTA leverages a pre-trained ViT model to craft the adversarial example and then applies the adversarial example to attack a fine-tuned version of the model on a downstream dataset. During the attack, DTA identifies and exploits the most vulnerable layers of the pre-trained model guided by a cosine similarity loss to craft highly transferable attacks. Through extensive experiments with pre-trained ViTs by 3 distinct pre-training methods, 3 fine-tuning schemes, and across 10 diverse downstream datasets, we show that DTA achieves an average attack success rate (ASR) exceeding 90\%, surpassing existing methods by a huge margin. When used with adversarial training, the adversarial examples generated by our DTA can significantly improve the model's robustness to different downstream transfer attacks.

Recent vision-language foundation models, such as CLIP, have demonstrated superior capabilities in learning representations that can be transferable across diverse range of downstream tasks and domains. With the emergence of such powerful models, it has become crucial to effectively leverage their capabilities in tackling challenging vision tasks. On the other hand, only a few works have focused on devising adversarial examples that transfer well to both unknown domains and model architectures. In this paper, we propose a novel transfer attack method called PDCL-Attack, which leverages the CLIP model to enhance the transferability of adversarial perturbations generated by a generative model-based attack framework. Specifically, we formulate an effective prompt-driven feature guidance by harnessing the semantic representation power of text, particularly from the ground-truth class labels of input images. To the best of our knowledge, we are the first to introduce prompt learning to enhance the transferable generative attacks. Extensive experiments conducted across various cross-domain and cross-model settings empirically validate our approach, demonstrating its superiority over state-of-the-art methods.

To realize effective large-scale, real-world robotic applications, we must evaluate how well our robot policies adapt to changes in environmental conditions. Unfortunately, a majority of studies evaluate robot performance in environments closely resembling or even identical to the training setup. We present THE COLOSSEUM, a novel simulation benchmark, with 20 diverse manipulation tasks, that enables systematical evaluation of models across 14 axes of environmental perturbations. These perturbations include changes in color, texture, and size of objects, table-tops, and backgrounds; we also vary lighting, distractors, physical properties perturbations and camera pose. Using THE COLOSSEUM, we compare 5 state-of-the-art manipulation models to reveal that their success rate degrades between 30-50% across these perturbation factors. When multiple perturbations are applied in unison, the success rate degrades geq75%. We identify that changing the number of distractor objects, target object color, or lighting conditions are the perturbations that reduce model performance the most. To verify the ecological validity of our results, we show that our results in simulation are correlated (R^2 = 0.614) to similar perturbations in real-world experiments. We open source code for others to use THE COLOSSEUM, and also release code to 3D print the objects used to replicate the real-world perturbations. Ultimately, we hope that THE COLOSSEUM will serve as a benchmark to identify modeling decisions that systematically improve generalization for manipulation. See https://robot-colosseum.github.io/ for more details.

Deep neural networks are susceptible to adversarial examples, posing a significant security risk in critical applications. Adversarial Training (AT) is a well-established technique to enhance adversarial robustness, but it often comes at the cost of decreased generalization ability. This paper proposes Robustness Critical Fine-Tuning (RiFT), a novel approach to enhance generalization without compromising adversarial robustness. The core idea of RiFT is to exploit the redundant capacity for robustness by fine-tuning the adversarially trained model on its non-robust-critical module. To do so, we introduce module robust criticality (MRC), a measure that evaluates the significance of a given module to model robustness under worst-case weight perturbations. Using this measure, we identify the module with the lowest MRC value as the non-robust-critical module and fine-tune its weights to obtain fine-tuned weights. Subsequently, we linearly interpolate between the adversarially trained weights and fine-tuned weights to derive the optimal fine-tuned model weights. We demonstrate the efficacy of RiFT on ResNet18, ResNet34, and WideResNet34-10 models trained on CIFAR10, CIFAR100, and Tiny-ImageNet datasets. Our experiments show that \method can significantly improve both generalization and out-of-distribution robustness by around 1.5% while maintaining or even slightly enhancing adversarial robustness. Code is available at https://github.com/microsoft/robustlearn.

Recent studies have shown that higher accuracy on ImageNet usually leads to better robustness against different corruptions. Therefore, in this paper, instead of following the traditional research paradigm that investigates new out-of-distribution corruptions or perturbations deep models may encounter, we conduct model debugging in in-distribution data to explore which object attributes a model may be sensitive to. To achieve this goal, we create a toolkit for object editing with controls of backgrounds, sizes, positions, and directions, and create a rigorous benchmark named ImageNet-E(diting) for evaluating the image classifier robustness in terms of object attributes. With our ImageNet-E, we evaluate the performance of current deep learning models, including both convolutional neural networks and vision transformers. We find that most models are quite sensitive to attribute changes. A small change in the background can lead to an average of 9.23\% drop on top-1 accuracy. We also evaluate some robust models including both adversarially trained models and other robust trained models and find that some models show worse robustness against attribute changes than vanilla models. Based on these findings, we discover ways to enhance attribute robustness with preprocessing, architecture designs, and training strategies. We hope this work can provide some insights to the community and open up a new avenue for research in robust computer vision. The code and dataset are available at https://github.com/alibaba/easyrobust.

With the rapid growth in language processing applications, fairness has emerged as an important consideration in data-driven solutions. Although various fairness definitions have been explored in the recent literature, there is lack of consensus on which metrics most accurately reflect the fairness of a system. In this work, we propose a new formulation : ACCUMULATED PREDICTION SENSITIVITY, which measures fairness in machine learning models based on the model's prediction sensitivity to perturbations in input features. The metric attempts to quantify the extent to which a single prediction depends on a protected attribute, where the protected attribute encodes the membership status of an individual in a protected group. We show that the metric can be theoretically linked with a specific notion of group fairness (statistical parity) and individual fairness. It also correlates well with humans' perception of fairness. We conduct experiments on two text classification datasets : JIGSAW TOXICITY, and BIAS IN BIOS, and evaluate the correlations between metrics and manual annotations on whether the model produced a fair outcome. We observe that the proposed fairness metric based on prediction sensitivity is statistically significantly more correlated with human annotation than the existing counterfactual fairness metric.

The problem of visual metamerism is defined as finding a family of perceptually indistinguishable, yet physically different images. In this paper, we propose our NeuroFovea metamer model, a foveated generative model that is based on a mixture of peripheral representations and style transfer forward-pass algorithms. Our gradient-descent free model is parametrized by a foveated VGG19 encoder-decoder which allows us to encode images in high dimensional space and interpolate between the content and texture information with adaptive instance normalization anywhere in the visual field. Our contributions include: 1) A framework for computing metamers that resembles a noisy communication system via a foveated feed-forward encoder-decoder network -- We observe that metamerism arises as a byproduct of noisy perturbations that partially lie in the perceptual null space; 2) A perceptual optimization scheme as a solution to the hyperparametric nature of our metamer model that requires tuning of the image-texture tradeoff coefficients everywhere in the visual field which are a consequence of internal noise; 3) An ABX psychophysical evaluation of our metamers where we also find that the rate of growth of the receptive fields in our model match V1 for reference metamers and V2 between synthesized samples. Our model also renders metamers at roughly a second, presenting a times1000 speed-up compared to the previous work, which allows for tractable data-driven metamer experiments.

Several machine learning models, including neural networks, consistently misclassify adversarial examples---inputs formed by applying small but intentionally worst-case perturbations to examples from the dataset, such that the perturbed input results in the model outputting an incorrect answer with high confidence. Early attempts at explaining this phenomenon focused on nonlinearity and overfitting. We argue instead that the primary cause of neural networks' vulnerability to adversarial perturbation is their linear nature. This explanation is supported by new quantitative results while giving the first explanation of the most intriguing fact about them: their generalization across architectures and training sets. Moreover, this view yields a simple and fast method of generating adversarial examples. Using this approach to provide examples for adversarial training, we reduce the test set error of a maxout network on the MNIST dataset.

Automatic metrics are essential for developing natural language generation (NLG) models, particularly for open-ended language generation tasks such as story generation. However, existing automatic metrics are observed to correlate poorly with human evaluation. The lack of standardized benchmark datasets makes it difficult to fully evaluate the capabilities of a metric and fairly compare different metrics. Therefore, we propose OpenMEVA, a benchmark for evaluating open-ended story generation metrics. OpenMEVA provides a comprehensive test suite to assess the capabilities of metrics, including (a) the correlation with human judgments, (b) the generalization to different model outputs and datasets, (c) the ability to judge story coherence, and (d) the robustness to perturbations. To this end, OpenMEVA includes both manually annotated stories and auto-constructed test examples. We evaluate existing metrics on OpenMEVA and observe that they have poor correlation with human judgments, fail to recognize discourse-level incoherence, and lack inferential knowledge (e.g., causal order between events), the generalization ability and robustness. Our study presents insights for developing NLG models and metrics in further research.

Overfitting widely exists in adversarial robust training of deep networks. An effective remedy is adversarial weight perturbation, which injects the worst-case weight perturbation during network training by maximizing the classification loss on adversarial examples. Adversarial weight perturbation helps reduce the robust generalization gap; however, it also undermines the robustness improvement. A criterion that regulates the weight perturbation is therefore crucial for adversarial training. In this paper, we propose such a criterion, namely Loss Stationary Condition (LSC) for constrained perturbation. With LSC, we find that it is essential to conduct weight perturbation on adversarial data with small classification loss to eliminate robust overfitting. Weight perturbation on adversarial data with large classification loss is not necessary and may even lead to poor robustness. Based on these observations, we propose a robust perturbation strategy to constrain the extent of weight perturbation. The perturbation strategy prevents deep networks from overfitting while avoiding the side effect of excessive weight perturbation, significantly improving the robustness of adversarial training. Extensive experiments demonstrate the superiority of the proposed method over the state-of-the-art adversarial training methods.

Although model editing has shown promise in revising knowledge in Large Language Models (LLMs), its impact on the inherent capabilities of LLMs is often overlooked. In this work, we reveal a critical phenomenon: even a single edit can trigger model collapse, manifesting as significant performance degradation in various benchmark tasks. However, benchmarking LLMs after each edit, while necessary to prevent such collapses, is impractically time-consuming and resource-intensive. To mitigate this, we propose using perplexity as a surrogate metric, validated by extensive experiments demonstrating changes in an edited model's perplexity are strongly correlated with its downstream task performances. We further conduct an in-depth study on sequential editing, a practical setting for real-world scenarios, across various editing methods and LLMs, focusing on hard cases from our previous single edit studies. The results indicate that nearly all examined editing methods result in model collapse after only few edits. To facilitate further research, we have utilized GPT-3.5 to develop a new dataset, HardEdit, based on those hard cases. This dataset aims to establish the foundation for pioneering research in reliable model editing and the mechanisms underlying editing-induced model collapse. We hope this work can draw the community's attention to the potential risks inherent in model editing practices.

Model attribution is a popular tool to explain the rationales behind model predictions. However, recent work suggests that the attributions are vulnerable to minute perturbations, which can be added to input samples to fool the attributions while maintaining the prediction outputs. Although empirical studies have shown positive performance via adversarial training, an effective certified defense method is eminently needed to understand the robustness of attributions. In this work, we propose to use uniform smoothing technique that augments the vanilla attributions by noises uniformly sampled from a certain space. It is proved that, for all perturbations within the attack region, the cosine similarity between uniformly smoothed attribution of perturbed sample and the unperturbed sample is guaranteed to be lower bounded. We also derive alternative formulations of the certification that is equivalent to the original one and provides the maximum size of perturbation or the minimum smoothing radius such that the attribution can not be perturbed. We evaluate the proposed method on three datasets and show that the proposed method can effectively protect the attributions from attacks, regardless of the architecture of networks, training schemes and the size of the datasets.

It is not fully understood why adversarial examples can deceive neural networks and transfer between different networks. To elucidate this, several studies have hypothesized that adversarial perturbations, while appearing as noises, contain class features. This is supported by empirical evidence showing that networks trained on mislabeled adversarial examples can still generalize well to correctly labeled test samples. However, a theoretical understanding of how perturbations include class features and contribute to generalization is limited. In this study, we provide a theoretical framework for understanding learning from perturbations using a one-hidden-layer network trained on mutually orthogonal samples. Our results highlight that various adversarial perturbations, even perturbations of a few pixels, contain sufficient class features for generalization. Moreover, we reveal that the decision boundary when learning from perturbations matches that from standard samples except for specific regions under mild conditions. The code is available at https://github.com/s-kumano/learning-from-adversarial-perturbations.

Large language models have demonstrated impressive performance on challenging mathematical reasoning tasks, which has triggered the discussion of whether the performance is achieved by true reasoning capability or memorization. To investigate this question, prior work has constructed mathematical benchmarks when questions undergo simple perturbations -- modifications that still preserve the underlying reasoning patterns of the solutions. However, no work has explored hard perturbations, which fundamentally change the nature of the problem so that the original solution steps do not apply. To bridge the gap, we construct MATH-P-Simple and MATH-P-Hard via simple perturbation and hard perturbation, respectively. Each consists of 279 perturbed math problems derived from level-5 (hardest) problems in the MATH dataset (Hendrycksmath et. al., 2021). We observe significant performance drops on MATH-P-Hard across various models, including o1-mini (-16.49%) and gemini-2.0-flash-thinking (-12.9%). We also raise concerns about a novel form of memorization where models blindly apply learned problem-solving skills without assessing their applicability to modified contexts. This issue is amplified when using original problems for in-context learning. We call for research efforts to address this challenge, which is critical for developing more robust and reliable reasoning models.

Machine learning models are vulnerable to adversarial perturbations, and a thought-provoking paper by Bubeck and Sellke has analyzed this phenomenon through the lens of over-parameterization: interpolating smoothly the data requires significantly more parameters than simply memorizing it. However, this "universal" law provides only a necessary condition for robustness, and it is unable to discriminate between models. In this paper, we address these gaps by focusing on empirical risk minimization in two prototypical settings, namely, random features and the neural tangent kernel (NTK). We prove that, for random features, the model is not robust for any degree of over-parameterization, even when the necessary condition coming from the universal law of robustness is satisfied. In contrast, for even activations, the NTK model meets the universal lower bound, and it is robust as soon as the necessary condition on over-parameterization is fulfilled. This also addresses a conjecture in prior work by Bubeck, Li and Nagaraj. Our analysis decouples the effect of the kernel of the model from an "interaction matrix", which describes the interaction with the test data and captures the effect of the activation. Our theoretical results are corroborated by numerical evidence on both synthetic and standard datasets (MNIST, CIFAR-10).

Flow-based generative models have been employed for sampling the Boltzmann distribution, but their application to high-dimensional systems is hindered by the significant computational cost of obtaining the Jacobian of the flow. To overcome this challenge, we introduce the flow perturbation method, which incorporates optimized stochastic perturbations into the flow. By reweighting trajectories generated by the perturbed flow, our method achieves unbiased sampling of the Boltzmann distribution with orders of magnitude speedup compared to both brute force Jacobian calculations and the Hutchinson estimator. Notably, it accurately sampled the Chignolin protein with all atomic Cartesian coordinates explicitly represented, which, to our best knowledge, is the largest molecule ever Boltzmann sampled in such detail using generative models.

In the era of proliferation of large language and image generation models, the phenomenon of "model collapse" refers to the situation whereby as a model is trained recursively on data generated from previous generations of itself over time, its performance degrades until the model eventually becomes completely useless, i.e the model collapses. In this work, we study this phenomenon in the setting of high-dimensional regression and obtain analytic formulae which quantitatively outline this phenomenon in a broad range of regimes. In the special case of polynomial decaying spectral and source conditions, we obtain modified scaling laws which exhibit new crossover phenomena from fast to slow rates. We also propose a simple strategy based on adaptive regularization to mitigate model collapse. Our theoretical results are validated with experiments.

Components of cyber physical systems, which affect real-world processes, are often exposed to the internet. Replacing conventional control methods with Deep Reinforcement Learning (DRL) in energy systems is an active area of research, as these systems become increasingly complex with the advent of renewable energy sources and the desire to improve their efficiency. Artificial Neural Networks (ANN) are vulnerable to specific perturbations of their inputs or features, called adversarial examples. These perturbations are difficult to detect when properly regularized, but have significant effects on the ANN's output. Because DRL uses ANN to map optimal actions to observations, they are similarly vulnerable to adversarial examples. This work proposes a novel attack technique for continuous control using Group Difference Logits loss with a bifurcation layer. By combining aspects of targeted and untargeted attacks, the attack significantly increases the impact compared to an untargeted attack, with drastically smaller distortions than an optimally targeted attack. We demonstrate the impacts of powerful gradient-based attacks in a realistic smart energy environment, show how the impacts change with different DRL agents and training procedures, and use statistical and time-series analysis to evaluate attacks' stealth. The results show that adversarial attacks can have significant impacts on DRL controllers, and constraining an attack's perturbations makes it difficult to detect. However, certain DRL architectures are far more robust, and robust training methods can further reduce the impact.

We examine the geometry of neural network training using the Jacobian of trained network parameters with respect to their initial values. Our analysis reveals low-dimensional structure in the training process which is dependent on the input data but largely independent of the labels. We find that the singular value spectrum of the Jacobian matrix consists of three distinctive regions: a "chaotic" region of values orders of magnitude greater than one, a large "bulk" region of values extremely close to one, and a "stable" region of values less than one. Along each bulk direction, the left and right singular vectors are nearly identical, indicating that perturbations to the initialization are carried through training almost unchanged. These perturbations have virtually no effect on the network's output in-distribution, yet do have an effect far out-of-distribution. While the Jacobian applies only locally around a single initialization, we find substantial overlap in bulk subspaces for different random seeds. Our code is available at https://github.com/EleutherAI/training-jacobian

Bayesian inference usually requires running potentially costly inference procedures separately for every new observation. In contrast, the idea of amortized Bayesian inference is to initially invest computational cost in training an inference network on simulated data, which can subsequently be used to rapidly perform inference (i.e., to return estimates of posterior distributions) for new observations. This approach has been applied to many real-world models in the sciences and engineering, but it is unclear how robust the approach is to adversarial perturbations in the observed data. Here, we study the adversarial robustness of amortized Bayesian inference, focusing on simulation-based estimation of multi-dimensional posterior distributions. We show that almost unrecognizable, targeted perturbations of the observations can lead to drastic changes in the predicted posterior and highly unrealistic posterior predictive samples, across several benchmark tasks and a real-world example from neuroscience. We propose a computationally efficient regularization scheme based on penalizing the Fisher information of the conditional density estimator, and show how it improves the adversarial robustness of amortized Bayesian inference.

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.

The accurate modeling of dynamics in interactive environments is critical for successful long-range prediction. Such a capability could advance Reinforcement Learning (RL) and Planning algorithms, but achieving it is challenging. Inaccuracies in model estimates can compound, resulting in increased errors over long horizons. We approach this problem from the lens of Koopman theory, where the nonlinear dynamics of the environment can be linearized in a high-dimensional latent space. This allows us to efficiently parallelize the sequential problem of long-range prediction using convolution while accounting for the agent's action at every time step. Our approach also enables stability analysis and better control over gradients through time. Taken together, these advantages result in significant improvement over the existing approaches, both in the efficiency and the accuracy of modeling dynamics over extended horizons. We also show that this model can be easily incorporated into dynamics modeling for model-based planning and model-free RL and report promising experimental results.

Explaining predictions based on multivariate time series data carries the additional difficulty of handling not only multiple features, but also time dependencies. It matters not only what happened, but also when, and the same feature could have a very different impact on a prediction depending on this time information. Previous work has used perturbation-based saliency methods to tackle this issue, perturbing an input using a trainable mask to discover which features at which times are driving the predictions. However these methods introduce fixed perturbations, inspired from similar methods on static data, while there seems to be little motivation to do so on temporal data. In this work, we aim to explain predictions by learning not only masks, but also associated perturbations. We empirically show that learning these perturbations significantly improves the quality of these explanations on time series data.

We investigate statistical properties of a likelihood approach to nonparametric estimation of a singular distribution using deep generative models. More specifically, a deep generative model is used to model high-dimensional data that are assumed to concentrate around some low-dimensional structure. Estimating the distribution supported on this low-dimensional structure, such as a low-dimensional manifold, is challenging due to its singularity with respect to the Lebesgue measure in the ambient space. In the considered model, a usual likelihood approach can fail to estimate the target distribution consistently due to the singularity. We prove that a novel and effective solution exists by perturbing the data with an instance noise, which leads to consistent estimation of the underlying distribution with desirable convergence rates. We also characterize the class of distributions that can be efficiently estimated via deep generative models. This class is sufficiently general to contain various structured distributions such as product distributions, classically smooth distributions and distributions supported on a low-dimensional manifold. Our analysis provides some insights on how deep generative models can avoid the curse of dimensionality for nonparametric distribution estimation. We conduct a thorough simulation study and real data analysis to empirically demonstrate that the proposed data perturbation technique improves the estimation performance significantly.

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

Scientific Machine Learning (SciML) is concerned with the development of learned emulators of physical systems governed by partial differential equations (PDE). In application domains such as weather forecasting, molecular dynamics, and inverse design, ML-based surrogate models are increasingly used to augment or replace inefficient and often non-differentiable numerical simulation algorithms. While a number of ML-based methods for approximating the solutions of PDEs have been proposed in recent years, they typically do not adapt to the parameters of the PDEs, making it difficult to generalize to PDE parameters not seen during training. We propose a Channel Attention mechanism guided by PDE Parameter Embeddings (CAPE) component for neural surrogate models and a simple yet effective curriculum learning strategy. The CAPE module can be combined with neural PDE solvers allowing them to adapt to unseen PDE parameters. The curriculum learning strategy provides a seamless transition between teacher-forcing and fully auto-regressive training. We compare CAPE in conjunction with the curriculum learning strategy using a popular PDE benchmark and obtain consistent and significant improvements over the baseline models. The experiments also show several advantages of CAPE, such as its increased ability to generalize to unseen PDE parameters without large increases inference time and parameter count.

Model attribution is a critical component of deep neural networks (DNNs) for its interpretability to complex models. Recent studies bring up attention to the security of attribution methods as they are vulnerable to attribution attacks that generate similar images with dramatically different attributions. Existing works have been investigating empirically improving the robustness of DNNs against those attacks; however, none of them explicitly quantifies the actual deviations of attributions. In this work, for the first time, a constrained optimization problem is formulated to derive an upper bound that measures the largest dissimilarity of attributions after the samples are perturbed by any noises within a certain region while the classification results remain the same. Based on the formulation, different practical approaches are introduced to bound the attributions above using Euclidean distance and cosine similarity under both ell_2 and ell_infty-norm perturbations constraints. The bounds developed by our theoretical study are validated on various datasets and two different types of attacks (PGD attack and IFIA attribution attack). Over 10 million attacks in the experiments indicate that the proposed upper bounds effectively quantify the robustness of models based on the worst-case attribution dissimilarities.

Models of many engineering and natural systems are imperfect. The discrepancy between the mathematical representations of a true physical system and its imperfect model is called the model error. These model errors can lead to substantial differences between the numerical solutions of the model and the state of the system, particularly in those involving nonlinear, multi-scale phenomena. Thus, there is increasing interest in reducing model errors, particularly by leveraging the rapidly growing observational data to understand their physics and sources. Here, we introduce a framework named MEDIDA: Model Error Discovery with Interpretability and Data Assimilation. MEDIDA only requires a working numerical solver of the model and a small number of noise-free or noisy sporadic observations of the system. In MEDIDA, first the model error is estimated from differences between the observed states and model-predicted states (the latter are obtained from a number of one-time-step numerical integrations from the previous observed states). If observations are noisy, a data assimilation (DA) technique such as ensemble Kalman filter (EnKF) is employed to provide the analysis state of the system, which is then used to estimate the model error. Finally, an equation-discovery technique, here the relevance vector machine (RVM), a sparsity-promoting Bayesian method, is used to identify an interpretable, parsimonious, and closed-form representation of the model error. Using the chaotic Kuramoto-Sivashinsky (KS) system as the test case, we demonstrate the excellent performance of MEDIDA in discovering different types of structural/parametric model errors, representing different types of missing physics, using noise-free and noisy observations.

Large language models (LLMs) often exhibit hallucinations due to incorrect or outdated knowledge. Hence, model editing methods have emerged to enable targeted knowledge updates. To achieve this, a prevailing paradigm is the locating-then-editing approach, which first locates influential parameters and then edits them by introducing a perturbation. While effective, current studies have demonstrated that this perturbation inevitably disrupt the originally preserved knowledge within LLMs, especially in sequential editing scenarios. To address this, we introduce AlphaEdit, a novel solution that projects perturbation onto the null space of the preserved knowledge before applying it to the parameters. We theoretically prove that this projection ensures the output of post-edited LLMs remains unchanged when queried about the preserved knowledge, thereby mitigating the issue of disruption. Extensive experiments on various LLMs, including LLaMA3, GPT2-XL, and GPT-J, show that AlphaEdit boosts the performance of most locating-then-editing methods by an average of 36.4% with a single line of additional code for projection solely. Our code is available at: https://github.com/jianghoucheng/AlphaEdit.

In this paper, by introducing Generalized Bernstein condition, we propose the first Obig(sqrt{p}{nepsilon}big) high probability excess population risk bound for differentially private algorithms under the assumptions G-Lipschitz, L-smooth, and Polyak-{\L}ojasiewicz condition, based on gradient perturbation method. If we replace the properties G-Lipschitz and L-smooth by alpha-H{\"o}lder smoothness (which can be used in non-smooth setting), the high probability bound comes to Obig(n^{-alpha{1+2alpha}}big) w.r.t n, which cannot achieve Oleft(1/nright) when alphain(0,1]. To solve this problem, we propose a variant of gradient perturbation method, max{1,g-Normalized Gradient Perturbation} (m-NGP). We further show that by normalization, the high probability excess population risk bound under assumptions alpha-H{\"o}lder smooth and Polyak-{\L}ojasiewicz condition can achieve Obig(sqrt{p}{nepsilon}big), which is the first Oleft(1/nright) high probability excess population risk bound w.r.t n for differentially private algorithms under non-smooth conditions. Moreover, we evaluate the performance of the new proposed algorithm m-NGP, the experimental results show that m-NGP improves the performance of the differentially private model over real datasets. It demonstrates that m-NGP improves the utility bound and the accuracy of the DP model on real datasets simultaneously.

Model uncertainty and limited data are fundamental challenges to robust management of human intervention in a natural system. These challenges are acutely highlighted by concerns that many ecological systems may contain tipping points, such as Allee population sizes. Before a collapse, we do not know where the tipping points lie, if they exist at all. Hence, we know neither a complete model of the system dynamics nor do we have access to data in some large region of state-space where such a tipping point might exist. We illustrate how a Bayesian Non-Parametric (BNP) approach using a Gaussian Process (GP) prior provides a flexible representation of this inherent uncertainty. We embed GPs in a Stochastic Dynamic Programming (SDP) framework in order to make robust management predictions with both model uncertainty and limited data. We use simulations to evaluate this approach as compared with the standard approach of using model selection to choose from a set of candidate models. We find that model selection erroneously favors models without tipping points -- leading to harvest policies that guarantee extinction. The GPDP performs nearly as well as the true model and significantly outperforms standard approaches. We illustrate this using examples of simulated single-species dynamics, where the standard model selection approach should be most effective, and find that it still fails to account for uncertainty appropriately and leads to population crashes, while management based on the GPDP does not, since it does not underestimate the uncertainty outside of the observed data.

Teams that have trained large Transformer-based models have reported training instabilities at large scale that did not appear when training with the same hyperparameters at smaller scales. Although the causes of such instabilities are of scientific interest, the amount of resources required to reproduce them has made investigation difficult. In this work, we seek ways to reproduce and study training stability and instability at smaller scales. First, we focus on two sources of training instability described in previous work: the growth of logits in attention layers (Dehghani et al., 2023) and divergence of the output logits from the log probabilities (Chowdhery et al., 2022). By measuring the relationship between learning rate and loss across scales, we show that these instabilities also appear in small models when training at high learning rates, and that mitigations previously employed at large scales are equally effective in this regime. This prompts us to investigate the extent to which other known optimizer and model interventions influence the sensitivity of the final loss to changes in the learning rate. To this end, we study methods such as warm-up, weight decay, and the muParam (Yang et al., 2022), and combine techniques to train small models that achieve similar losses across orders of magnitude of learning rate variation. Finally, to conclude our exploration we study two cases where instabilities can be predicted before they emerge by examining the scaling behavior of model activation and gradient norms.

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.

The proliferation of generative models, combined with pretraining on web-scale data, raises a timely question: what happens when these models are trained on their own generated outputs? Recent investigations into model-data feedback loops proposed that such loops would lead to a phenomenon termed model collapse, under which performance progressively degrades with each model-data feedback iteration until fitted models become useless. However, those studies largely assumed that new data replace old data over time, where an arguably more realistic assumption is that data accumulate over time. In this paper, we ask: what effect does accumulating data have on model collapse? We empirically study this question by pretraining sequences of language models on text corpora. We confirm that replacing the original real data by each generation's synthetic data does indeed tend towards model collapse, then demonstrate that accumulating the successive generations of synthetic data alongside the original real data avoids model collapse; these results hold across a range of model sizes, architectures, and hyperparameters. We obtain similar results for deep generative models on other types of real data: diffusion models for molecule conformation generation and variational autoencoders for image generation. To understand why accumulating data can avoid model collapse, we use an analytically tractable framework introduced by prior work in which a sequence of linear models are fit to the previous models' outputs. Previous work used this framework to show that if data are replaced, the test error increases with the number of model-fitting iterations; we extend this argument to prove that if data instead accumulate, the test error has a finite upper bound independent of the number of iterations, meaning model collapse no longer occurs.

Prediction models can exhibit sensitivity with respect to training data: small changes in the training data can produce models that assign conflicting predictions to individual data points during test time. In this work, we study this sensitivity in recommender systems, where users' recommendations are drastically altered by minor perturbations in other unrelated users' interactions. We introduce a measure of stability for recommender systems, called Rank List Sensitivity (RLS), which measures how rank lists generated by a given recommender system at test time change as a result of a perturbation in the training data. We develop a method, CASPER, which uses cascading effect to identify the minimal and systematical perturbation to induce higher instability in a recommender system. Experiments on four datasets show that recommender models are overly sensitive to minor perturbations introduced randomly or via CASPER - even perturbing one random interaction of one user drastically changes the recommendation lists of all users. Importantly, with CASPER perturbation, the models generate more unstable recommendations for low-accuracy users (i.e., those who receive low-quality recommendations) than high-accuracy ones.

Denoising Diffusion Probabilistic Models have shown an impressive generation quality, although their long sampling chain leads to high computational costs. In this paper, we observe that a long sampling chain also leads to an error accumulation phenomenon, which is similar to the exposure bias problem in autoregressive text generation. Specifically, we note that there is a discrepancy between training and testing, since the former is conditioned on the ground truth samples, while the latter is conditioned on the previously generated results. To alleviate this problem, we propose a very simple but effective training regularization, consisting in perturbing the ground truth samples to simulate the inference time prediction errors. We empirically show that, without affecting the recall and precision, the proposed input perturbation leads to a significant improvement in the sample quality while reducing both the training and the inference times. For instance, on CelebA 64times64, we achieve a new state-of-the-art FID score of 1.27, while saving 37.5% of the training time. The code is publicly available at https://github.com/forever208/DDPM-IP

Catastrophic overfitting (CO) presents a significant challenge in single-step adversarial training (AT), manifesting as highly distorted deep neural networks (DNNs) that are vulnerable to multi-step adversarial attacks. However, the underlying factors that lead to the distortion of decision boundaries remain unclear. In this work, we delve into the specific changes within different DNN layers and discover that during CO, the former layers are more susceptible, experiencing earlier and greater distortion, while the latter layers show relative insensitivity. Our analysis further reveals that this increased sensitivity in former layers stems from the formation of pseudo-robust shortcuts, which alone can impeccably defend against single-step adversarial attacks but bypass genuine-robust learning, resulting in distorted decision boundaries. Eliminating these shortcuts can partially restore robustness in DNNs from the CO state, thereby verifying that dependence on them triggers the occurrence of CO. This understanding motivates us to implement adaptive weight perturbations across different layers to hinder the generation of pseudo-robust shortcuts, consequently mitigating CO. Extensive experiments demonstrate that our proposed method, Layer-Aware Adversarial Weight Perturbation (LAP), can effectively prevent CO and further enhance robustness.

We incorporate discrete and continuous time Markov processes as building blocks into probabilistic graphical models with latent and observed variables. We introduce the automatic Backward Filtering Forward Guiding (BFFG) paradigm (Mider et al., 2021) for programmable inference on latent states and model parameters. Our starting point is a generative model, a forward description of the probabilistic process dynamics. We backpropagate the information provided by observations through the model to transform the generative (forward) model into a pre-conditional model guided by the data. It approximates the actual conditional model with known likelihood-ratio between the two. The backward filter and the forward change of measure are suitable to be incorporated into a probabilistic programming context because they can be formulated as a set of transformation rules. The guided generative model can be incorporated in different approaches to efficiently sample latent states and parameters conditional on observations. We show applicability in a variety of settings, including Markov chains with discrete state space, interacting particle systems, state space models, branching diffusions and Gamma processes.

In this paper, we focus on quantifying model stability as a function of random seed by investigating the effects of the induced randomness on model performance and the robustness of the model in general. We specifically perform a controlled study on the effect of random seeds on the behaviour of attention, gradient-based and surrogate model based (LIME) interpretations. Our analysis suggests that random seeds can adversely affect the consistency of models resulting in counterfactual interpretations. We propose a technique called Aggressive Stochastic Weight Averaging (ASWA)and an extension called Norm-filtered Aggressive Stochastic Weight Averaging (NASWA) which improves the stability of models over random seeds. With our ASWA and NASWA based optimization, we are able to improve the robustness of the original model, on average reducing the standard deviation of the model's performance by 72%.

Model compression techniques are receiving increasing attention; however, the effect of compression on model fairness is still under explored. This is the first paper to examine the effect of distillation and pruning on the toxicity and bias of generative language models. We test Knowledge Distillation and Pruning methods on the GPT2 model and found a consistent pattern of toxicity and bias reduction after model distillation; this result can be potentially interpreted by existing line of research which describes model compression as a regularization technique; our work not only serves as a reference for safe deployment of compressed models, but also extends the discussion of "compression as regularization" into the setting of neural LMs, and hints at the possibility of using compression to develop fairer models.

Design of reliable systems must guarantee stability against input perturbations. In machine learning, such guarantee entails preventing overfitting and ensuring robustness of models against corruption of input data. In order to maximize stability, we analyze and develop a computationally efficient implementation of Jacobian regularization that increases classification margins of neural networks. The stabilizing effect of the Jacobian regularizer leads to significant improvements in robustness, as measured against both random and adversarial input perturbations, without severely degrading generalization properties on clean data.

It has recently been conjectured that neural network solution sets reachable via stochastic gradient descent (SGD) are convex, considering permutation invariances (Entezari et al., 2022). This means that a linear path can connect two independent solutions with low loss, given the weights of one of the models are appropriately permuted. However, current methods to test this theory often require very wide networks to succeed. In this work, we conjecture that more generally, the SGD solution set is a "star domain" that contains a "star model" that is linearly connected to all the other solutions via paths with low loss values, modulo permutations. We propose the Starlight algorithm that finds a star model of a given learning task. We validate our claim by showing that this star model is linearly connected with other independently found solutions. As an additional benefit of our study, we demonstrate better uncertainty estimates on the Bayesian Model Averaging over the obtained star domain. Further, we demonstrate star models as potential substitutes for model ensembles. Our code is available at https://github.com/aktsonthalia/starlight.

Two-point zeroth order methods are important in many applications of zeroth-order optimization, such as robotics, wind farms, power systems, online optimization, and adversarial robustness to black-box attacks in deep neural networks, where the problem may be high-dimensional and/or time-varying. Most problems in these applications are nonconvex and contain saddle points. While existing works have shown that zeroth-order methods utilizing Omega(d) function valuations per iteration (with d denoting the problem dimension) can escape saddle points efficiently, it remains an open question if zeroth-order methods based on two-point estimators can escape saddle points. In this paper, we show that by adding an appropriate isotropic perturbation at each iteration, a zeroth-order algorithm based on 2m (for any 1 leq m leq d) function evaluations per iteration can not only find epsilon-second order stationary points polynomially fast, but do so using only Oleft(d{mepsilon^{2}psi}right) function evaluations, where psi geq Omegaleft(epsilonright) is a parameter capturing the extent to which the function of interest exhibits the strict saddle property.

We introduce a framework for automatically defining and learning deep generative models with problem-specific structure. We tackle problem domains that are more traditionally solved by algorithms such as sorting, constraint satisfaction for Sudoku, and matrix factorization. Concretely, we train diffusion models with an architecture tailored to the problem specification. This problem specification should contain a graphical model describing relationships between variables, and often benefits from explicit representation of subcomputations. Permutation invariances can also be exploited. Across a diverse set of experiments we improve the scaling relationship between problem dimension and our model's performance, in terms of both training time and final accuracy. Our code can be found at https://github.com/plai-group/gsdm.

There is an emerging interest in generating robust counterfactual explanations that would remain valid if the model is updated or changed even slightly. Towards finding robust counterfactuals, existing literature often assumes that the original model m and the new model M are bounded in the parameter space, i.e., |Params(M){-}Params(m)|{<}Delta. However, models can often change significantly in the parameter space with little to no change in their predictions or accuracy on the given dataset. In this work, we introduce a mathematical abstraction termed naturally-occurring model change, which allows for arbitrary changes in the parameter space such that the change in predictions on points that lie on the data manifold is limited. Next, we propose a measure -- that we call Stability -- to quantify the robustness of counterfactuals to potential model changes for differentiable models, e.g., neural networks. Our main contribution is to show that counterfactuals with sufficiently high value of Stability as defined by our measure will remain valid after potential ``naturally-occurring'' model changes with high probability (leveraging concentration bounds for Lipschitz function of independent Gaussians). Since our quantification depends on the local Lipschitz constant around a data point which is not always available, we also examine practical relaxations of our proposed measure and demonstrate experimentally how they can be incorporated to find robust counterfactuals for neural networks that are close, realistic, and remain valid after potential model changes.

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.

In this paper, we investigate the long-term memory learning capabilities of state-space models (SSMs) from the perspective of parameterization. We prove that state-space models without any reparameterization exhibit a memory limitation similar to that of traditional RNNs: the target relationships that can be stably approximated by state-space models must have an exponential decaying memory. Our analysis identifies this "curse of memory" as a result of the recurrent weights converging to a stability boundary, suggesting that a reparameterization technique can be effective. To this end, we introduce a class of reparameterization techniques for SSMs that effectively lift its memory limitations. Besides improving approximation capabilities, we further illustrate that a principled choice of reparameterization scheme can also enhance optimization stability. We validate our findings using synthetic datasets and language models.

Kernelized Stein discrepancy (KSD) is a score-based discrepancy widely used in goodness-of-fit tests. It can be applied even when the target distribution has an unknown normalising factor, such as in Bayesian analysis. We show theoretically and empirically that the KSD test can suffer from low power when the target and the alternative distributions have the same well-separated modes but differ in mixing proportions. We propose to perturb the observed sample via Markov transition kernels, with respect to which the target distribution is invariant. This allows us to then employ the KSD test on the perturbed sample. We provide numerical evidence that with suitably chosen transition kernels the proposed approach can lead to substantially higher power than the KSD test.

Fine-tuning large pre-trained models has become the de facto strategy for developing both task-specific and general-purpose machine learning systems, including developing models that are safe to deploy. Despite its clear importance, there has been minimal work that explains how fine-tuning alters the underlying capabilities learned by a model during pretraining: does fine-tuning yield entirely novel capabilities or does it just modulate existing ones? We address this question empirically in synthetic, controlled settings where we can use mechanistic interpretability tools (e.g., network pruning and probing) to understand how the model's underlying capabilities are changing. We perform an extensive analysis of the effects of fine-tuning in these settings, and show that: (i) fine-tuning rarely alters the underlying model capabilities; (ii) a minimal transformation, which we call a 'wrapper', is typically learned on top of the underlying model capabilities, creating the illusion that they have been modified; and (iii) further fine-tuning on a task where such hidden capabilities are relevant leads to sample-efficient 'revival' of the capability, i.e., the model begins reusing these capability after only a few gradient steps. This indicates that practitioners can unintentionally remove a model's safety wrapper merely by fine-tuning it on a, e.g., superficially unrelated, downstream task. We additionally perform analysis on language models trained on the TinyStories dataset to support our claims in a more realistic setup.

Catastrophic regime shifts in complex natural systems may be averted through advanced detection. Recent work has provided a proof-of-principle that many systems approaching a catastrophic transition may be identified through the lens of early warning indicators such as rising variance or increased return times. Despite widespread appreciation of the difficulties and uncertainty involved in such forecasts, proposed methods hardly ever characterize their expected error rates. Without the benefits of replicates, controls, or hindsight, applications of these approaches must quantify how reliable different indicators are in avoiding false alarms, and how sensitive they are to missing subtle warning signs. We propose a model based approach in order to quantify this trade-off between reliability and sensitivity and allow comparisons between different indicators. We show these error rates can be quite severe for common indicators even under favorable assumptions, and also illustrate how a model-based indicator can improve this performance. We demonstrate how the performance of an early warning indicator varies in different data sets, and suggest that uncertainty quantification become a more central part of early warning predictions.

Recently, Ainsworth et al. showed that using weight matching (WM) to minimize the L_2 distance in a permutation search of model parameters effectively identifies permutations that satisfy linear mode connectivity (LMC), in which the loss along a linear path between two independently trained models with different seeds remains nearly constant. This paper provides a theoretical analysis of LMC using WM, which is crucial for understanding stochastic gradient descent's effectiveness and its application in areas like model merging. We first experimentally and theoretically show that permutations found by WM do not significantly reduce the L_2 distance between two models and the occurrence of LMC is not merely due to distance reduction by WM in itself. We then provide theoretical insights showing that permutations can change the directions of the singular vectors, but not the singular values, of the weight matrices in each layer. This finding shows that permutations found by WM mainly align the directions of singular vectors associated with large singular values across models. This alignment brings the singular vectors with large singular values, which determine the model functionality, closer between pre-merged and post-merged models, so that the post-merged model retains functionality similar to the pre-merged models, making it easy to satisfy LMC. Finally, we analyze the difference between WM and straight-through estimator (STE), a dataset-dependent permutation search method, and show that WM outperforms STE, especially when merging three or more models.

We present a conceptual framework, datamodeling, for analyzing the behavior of a model class in terms of the training data. For any fixed "target" example x, training set S, and learning algorithm, a datamodel is a parameterized function 2^S to R that for any subset of S' subset S -- using only information about which examples of S are contained in S' -- predicts the outcome of training a model on S' and evaluating on x. Despite the potential complexity of the underlying process being approximated (e.g., end-to-end training and evaluation of deep neural networks), we show that even simple linear datamodels can successfully predict model outputs. We then demonstrate that datamodels give rise to a variety of applications, such as: accurately predicting the effect of dataset counterfactuals; identifying brittle predictions; finding semantically similar examples; quantifying train-test leakage; and embedding data into a well-behaved and feature-rich representation space. Data for this paper (including pre-computed datamodels as well as raw predictions from four million trained deep neural networks) is available at https://github.com/MadryLab/datamodels-data .

Despite significant progress in model editing methods, their application in real-world scenarios remains challenging as they often cause large language models (LLMs) to collapse. Among them, ROME is particularly concerning, as it could disrupt LLMs with only a single edit. In this paper, we study the root causes of such collapse. Through extensive analysis, we identify two primary factors that contribute to the collapse: i) inconsistent handling of prefixed and unprefixed keys in the parameter update equation may result in very small denominators, causing excessively large parameter updates; ii) the subject of collapse cases is usually the first token, whose unprefixed key distribution significantly differs from the prefixed key distribution in autoregressive transformers, causing the aforementioned issue to materialize. To validate our findings, we propose a simple yet effective approach: uniformly using prefixed keys during editing phase and adding prefixes during testing phase to ensure the consistency between training and testing. The experimental results show that the proposed solution can prevent model collapse while maintaining the effectiveness of the edits.

Neural surrogates for partial differential equations (PDEs) have become popular due to their potential to quickly simulate physics. With a few exceptions, neural surrogates generally treat the forward evolution of time-dependent PDEs as a black box by directly predicting the next state. While this is a natural and easy framework for applying neural surrogates, it can be an over-simplified and rigid framework for predicting physics. In this work, we propose an alternative framework in which neural solvers predict the temporal derivative and an ODE integrator forwards the solution in time, which has little overhead and is broadly applicable across model architectures and PDEs. We find that by simply changing the training target and introducing numerical integration during inference, neural surrogates can gain accuracy and stability. Predicting temporal derivatives also allows models to not be constrained to a specific temporal discretization, allowing for flexible time-stepping during inference or training on higher-resolution PDE data. Lastly, we investigate why this new framework can be beneficial and in what situations does it work well.

Offline reinforcement learning enables agents to leverage large pre-collected datasets of environment transitions to learn control policies, circumventing the need for potentially expensive or unsafe online data collection. Significant progress has been made recently in offline model-based reinforcement learning, approaches which leverage a learned dynamics model. This typically involves constructing a probabilistic model, and using the model uncertainty to penalize rewards where there is insufficient data, solving for a pessimistic MDP that lower bounds the true MDP. Existing methods, however, exhibit a breakdown between theory and practice, whereby pessimistic return ought to be bounded by the total variation distance of the model from the true dynamics, but is instead implemented through a penalty based on estimated model uncertainty. This has spawned a variety of uncertainty heuristics, with little to no comparison between differing approaches. In this paper, we compare these heuristics, and design novel protocols to investigate their interaction with other hyperparameters, such as the number of models, or imaginary rollout horizon. Using these insights, we show that selecting these key hyperparameters using Bayesian Optimization produces superior configurations that are vastly different to those currently used in existing hand-tuned state-of-the-art methods, and result in drastically stronger performance.

Recent years have witnessed significant progress in developing efficient training and fast sampling approaches for diffusion models. A recent remarkable advancement is the use of stochastic differential equations (SDEs) to describe data perturbation and generative modeling in a unified mathematical framework. In this paper, we reveal several intriguing geometric structures of diffusion models and contribute a simple yet powerful interpretation to their sampling dynamics. Through carefully inspecting a popular variance-exploding SDE and its marginal-preserving ordinary differential equation (ODE) for sampling, we discover that the data distribution and the noise distribution are smoothly connected with an explicit, quasi-linear sampling trajectory, and another implicit denoising trajectory, which even converges faster in terms of visual quality. We also establish a theoretical relationship between the optimal ODE-based sampling and the classic mean-shift (mode-seeking) algorithm, with which we can characterize the asymptotic behavior of diffusion models and identify the score deviation. These new geometric observations enable us to improve previous sampling algorithms, re-examine latent interpolation, as well as re-explain the working principles of distillation-based fast sampling techniques.

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.

Early warning signals have been proposed to forecast the possibility of a critical transition, such as the eutrophication of a lake, the collapse of a coral reef, or the end of a glacial period. Because such transitions often unfold on temporal and spatial scales that can be difficult to approach by experimental manipulation, research has often relied on historical observations as a source of natural experiments. Here we examine a critical difference between selecting systems for study based on the fact that we have observed a critical transition and those systems for which we wish to forecast the approach of a transition. This difference arises by conditionally selecting systems known to experience a transition of some sort and failing to account for the bias this introduces -- a statistical error often known as the Prosecutor's Fallacy. By analysing simulated systems that have experienced transitions purely by chance, we reveal an elevated rate of false positives in common warning signal statistics. We further demonstrate a model-based approach that is less subject to this bias than these more commonly used summary statistics. We note that experimental studies with replicates avoid this pitfall entirely.

It is well-known that inverse dynamics models can improve tracking performance in robot control. These models need to precisely capture the robot dynamics, which consist of well-understood components, e.g., rigid body dynamics, and effects that remain challenging to capture, e.g., stick-slip friction and mechanical flexibilities. Such effects exhibit hysteresis and partial observability, rendering them, particularly challenging to model. Hence, hybrid models, which combine a physical prior with data-driven approaches are especially well-suited in this setting. We present a novel hybrid model formulation that enables us to identify fully physically consistent inertial parameters of a rigid body dynamics model which is paired with a recurrent neural network architecture, allowing us to capture unmodeled partially observable effects using the network memory. We compare our approach against state-of-the-art inverse dynamics models on a 7 degree of freedom manipulator. Using data sets obtained through an optimal experiment design approach, we study the accuracy of offline torque prediction and generalization capabilities of joint learning methods. In control experiments on the real system, we evaluate the model as a feed-forward term for impedance control and show the feedback gains can be drastically reduced to achieve a given tracking accuracy.

Training data compositions for Large Language Models (LLMs) can significantly affect their downstream performance. However, a thorough data ablation study exploring large sets of candidate data mixtures is typically prohibitively expensive since the full effect is seen only after training the models; this can lead practitioners to settle for sub-optimal data mixtures. We propose an efficient method for approximating data ablations which trains individual models on subsets of a training corpus and reuses them across evaluations of combinations of subsets. In continued pre-training experiments, we find that, given an arbitrary evaluation set, the perplexity score of a single model trained on a candidate set of data is strongly correlated with perplexity scores of parameter averages of models trained on distinct partitions of that data. From this finding, we posit that researchers and practitioners can conduct inexpensive simulations of data ablations by maintaining a pool of models that were each trained on partitions of a large training corpus, and assessing candidate data mixtures by evaluating parameter averages of combinations of these models. This approach allows for substantial improvements in amortized training efficiency -- scaling only linearly with respect to new data -- by enabling reuse of previous training computation, opening new avenues for improving model performance through rigorous, incremental data assessment and mixing.

As AI model size grows, neural scaling laws have become a crucial tool to predict the improvements of large models when increasing capacity and the size of original (human or natural) training data. Yet, the widespread use of popular models means that the ecosystem of online data and text will co-evolve to progressively contain increased amounts of synthesized data. In this paper we ask: How will the scaling laws change in the inevitable regime where synthetic data makes its way into the training corpus? Will future models, still improve, or be doomed to degenerate up to total (model) collapse? We develop a theoretical framework of model collapse through the lens of scaling laws. We discover a wide range of decay phenomena, analyzing loss of scaling, shifted scaling with number of generations, the ''un-learning" of skills, and grokking when mixing human and synthesized data. Our theory is validated by large-scale experiments with a transformer on an arithmetic task and text generation using the large language model Llama2.

Recent work on model editing using Rank-One Model Editing (ROME), a popular model editing method, has shown that there are certain facts that the algorithm is unable to edit without breaking the model. Such edits have previously been called disabling edits. These disabling edits cause immediate model collapse and limits the use of ROME for sequential editing. In this paper, we make two main contributions. Firstly, we show that model collapse with ROME only happens when making edits using the CounterFact dataset and does not happen when using the zsRE dataset. Secondly, we find that disabling edits are an artifact of the original implementation of ROME. With this paper, we provide a more stable implementation ROME, which we call r-ROME and show that we no longer observe model collapse when making large scale sequential edits with ROME.

Recent studies have shown that robustness to adversarial attacks can be transferred across networks. In other words, we can make a weak model more robust with the help of a strong teacher model. We ask if instead of learning from a static teacher, can models "learn together" and "teach each other" to achieve better robustness? In this paper, we study how interactions among models affect robustness via knowledge distillation. We propose mutual adversarial training (MAT), in which multiple models are trained together and share the knowledge of adversarial examples to achieve improved robustness. MAT allows robust models to explore a larger space of adversarial samples, and find more robust feature spaces and decision boundaries. Through extensive experiments on CIFAR-10 and CIFAR-100, we demonstrate that MAT can effectively improve model robustness and outperform state-of-the-art methods under white-box attacks, bringing sim8% accuracy gain to vanilla adversarial training (AT) under PGD-100 attacks. In addition, we show that MAT can also mitigate the robustness trade-off among different perturbation types, bringing as much as 13.1% accuracy gain to AT baselines against the union of l_infty, l_2 and l_1 attacks. These results show the superiority of the proposed method and demonstrate that collaborative learning is an effective strategy for designing robust models.

Large pre-trained models decay over long-term deployment as input distributions shift, user requirements change, or crucial knowledge gaps are discovered. Recently, model editors have been proposed to modify a model's behavior by adjusting its weights during deployment. However, when editing the same model multiple times, these approaches quickly decay a model's performance on upstream data and forget how to fix previous errors. We propose and study a novel Lifelong Model Editing setting, where streaming errors are identified for a deployed model and we update the model to correct its predictions without influencing unrelated inputs without access to training edits, exogenous datasets, or any upstream data for the edited model. To approach this problem, we introduce General Retrieval Adaptors for Continual Editing, or GRACE, which learns to cache a chosen layer's activations in an adaptive codebook as edits stream in, leaving original model weights frozen. GRACE can thus edit models thousands of times in a row using only streaming errors, without influencing unrelated inputs. Experimentally, we show that GRACE improves over recent alternatives and generalizes to unseen inputs. Our code is available at https://www.github.com/thartvigsen/grace.

Large Language Models (LLMs) based on the pre-trained fine-tuning paradigm have become pivotal in solving natural language processing tasks, consistently achieving state-of-the-art performance. Nevertheless, the theoretical understanding of how model complexity influences fine-tuning performance remains challenging and has not been well explored yet. In this paper, we focus on autoregressive LLMs and propose to employ Hidden Markov Models (HMMs) to model them. Based on the HMM modeling, we investigate the relationship between model complexity and the generalization capability in downstream tasks. Specifically, we consider a popular tuning paradigm for downstream tasks, head tuning, where all pre-trained parameters are frozen and only individual heads are trained atop pre-trained LLMs. Our theoretical analysis reveals that the risk initially increases and then decreases with rising model complexity, showcasing a "double descent" phenomenon. In this case, the initial "descent" is degenerate, signifying that the "sweet spot" where bias and variance are balanced occurs when the model size is zero. Obtaining the presented in this study conclusion confronts several challenges, primarily revolving around effectively modeling autoregressive LLMs and downstream tasks, as well as conducting a comprehensive risk analysis for multivariate regression. Our research is substantiated by experiments conducted on data generated from HMMs, which provided empirical support and alignment with our theoretical insights.

We, team AImsterdam, summarize our submission to the fastMRI challenge (Zbontar et al., 2018). Our approach builds on recent advances in invertible learning to infer models as presented in Putzky and Welling (2019). Both, our single-coil and our multi-coil model share the same basic architecture.

Low-rank approximation techniques have become the de facto standard for fine-tuning Large Language Models (LLMs) due to their reduced computational and memory requirements. This paper investigates the effectiveness of these methods in capturing the shift of fine-tuning datasets from the initial pre-trained data distribution. Our findings reveal that there are cases in which low-rank fine-tuning falls short in learning such shifts. This, in turn, produces non-negligible side effects, especially when fine-tuning is adopted for toxicity mitigation in pre-trained models, or in scenarios where it is important to provide fair models. Through comprehensive empirical evidence on several models, datasets, and tasks, we show that low-rank fine-tuning inadvertently preserves undesirable biases and toxic behaviors. We also show that this extends to sequential decision-making tasks, emphasizing the need for careful evaluation to promote responsible LLMs development.

A common pipeline in learning-based control is to iteratively estimate a model of system dynamics, and apply a trajectory optimization algorithm - e.g.~iLQR - on the learned model to minimize a target cost. This paper conducts a rigorous analysis of a simplified variant of this strategy for general nonlinear systems. We analyze an algorithm which iterates between estimating local linear models of nonlinear system dynamics and performing iLQR-like policy updates. We demonstrate that this algorithm attains sample complexity polynomial in relevant problem parameters, and, by synthesizing locally stabilizing gains, overcomes exponential dependence in problem horizon. Experimental results validate the performance of our algorithm, and compare to natural deep-learning baselines.

Model merging is an efficient empowerment technique in the machine learning community that does not require the collection of raw training data and does not require expensive computation. As model merging becomes increasingly prevalent across various fields, it is crucial to understand the available model merging techniques comprehensively. However, there is a significant gap in the literature regarding a systematic and thorough review of these techniques. This survey provides a comprehensive overview of model merging methods and theories, their applications in various domains and settings, and future research directions. Specifically, we first propose a new taxonomic approach that exhaustively discusses existing model merging methods. Secondly, we discuss the application of model merging techniques in large language models, multimodal large language models, and 10+ machine learning subfields, including continual learning, multi-task learning, few-shot learning, etc. Finally, we highlight the remaining challenges of model merging and discuss future research directions. A comprehensive list of papers about model merging is available at https://github.com/EnnengYang/Awesome-Model-Merging-Methods-Theories-Applications.

Modern language models can imitate complex patterns through few-shot learning, enabling them to complete challenging tasks without fine-tuning. However, imitation can also lead models to reproduce inaccuracies or harmful content if present in the context. We study harmful imitation through the lens of a model's internal representations, and identify two related phenomena: "overthinking" and "false induction heads". The first phenomenon, overthinking, appears when we decode predictions from intermediate layers, given correct vs. incorrect few-shot demonstrations. At early layers, both demonstrations induce similar model behavior, but the behavior diverges sharply at some "critical layer", after which the accuracy given incorrect demonstrations progressively decreases. The second phenomenon, false induction heads, are a possible mechanistic cause of overthinking: these are heads in late layers that attend to and copy false information from previous demonstrations, and whose ablation reduces overthinking. Beyond scientific understanding, our results suggest that studying intermediate model computations could be a promising avenue for understanding and guarding against harmful model behaviors.

We investigate model predictive control (MPC) formulations for linear systems subject to i.i.d. stochastic disturbances with bounded support and chance constraints. Existing stochastic MPC formulations with closed-loop guarantees can be broadly classified in two separate frameworks: i) using robust techniques; ii) feasibility preserving algorithms. We investigate two particular MPC formulations representative for these two frameworks called robust-stochastic MPC and indirect feedback stochastic MPC. We provide a qualitative analysis, highlighting intrinsic limitations of both approaches in different edge cases. Then, we derive a unifying stochastic MPC framework that naturally includes these two formulations as limit cases. This qualitative analysis is complemented with numerical results, showcasing the advantages and limitations of each method.

We address the problem of learning the dynamics of an unknown non-parametric system linking a target and a feature time series. The feature time series is measured on a sparse and irregular grid, while we have access to only a few points of the target time series. Once learned, we can use these dynamics to predict values of the target from the previous values of the feature time series. We frame this task as learning the solution map of a controlled differential equation (CDE). By leveraging the rich theory of signatures, we are able to cast this non-linear problem as a high-dimensional linear regression. We provide an oracle bound on the prediction error which exhibits explicit dependencies on the individual-specific sampling schemes. Our theoretical results are illustrated by simulations which show that our method outperforms existing algorithms for recovering the full time series while being computationally cheap. We conclude by demonstrating its potential on real-world epidemiological data.

Preference optimization methods typically begin training with a well-trained SFT model as a reference model. In RLHF and DPO, a regularization term is used during the preference optimization process to prevent the policy model from deviating too far from the reference model's distribution, thereby avoiding the generation of anomalous responses. When the reference model is already well-aligned with the given data or only requires slight adjustments, this approach can produce a well-aligned model. However, if the reference model is not aligned with the given data and requires significant deviation from its current state, a regularization term may actually hinder the model alignment. In this study, we propose Modulated Intervention Preference Optimization (MIPO) to address this issue. MIPO modulates the degree of intervention from the reference model based on how well the given data is aligned with it. If the data is well-aligned, the intervention is increased to prevent the policy model from diverging significantly from reference model. Conversely, if the alignment is poor, the interference is reduced to facilitate more extensive training. We compare the performance of MIPO and DPO using Mistral-7B and Llama3-8B in Alpaca Eval 2.0 and MT-Bench. The experimental results demonstrate that MIPO consistently outperforms DPO across various evaluation scenarios.

State-space models (SSMs) have recently emerged as a framework for learning long-range sequence tasks. An example is the structured state-space sequence (S4) layer, which uses the diagonal-plus-low-rank structure of the HiPPO initialization framework. However, the complicated structure of the S4 layer poses challenges; and, in an effort to address these challenges, models such as S4D and S5 have considered a purely diagonal structure. This choice simplifies the implementation, improves computational efficiency, and allows channel communication. However, diagonalizing the HiPPO framework is itself an ill-posed problem. In this paper, we propose a general solution for this and related ill-posed diagonalization problems in machine learning. We introduce a generic, backward-stable "perturb-then-diagonalize" (PTD) methodology, which is based on the pseudospectral theory of non-normal operators, and which may be interpreted as the approximate diagonalization of the non-normal matrices defining SSMs. Based on this, we introduce the S4-PTD and S5-PTD models. Through theoretical analysis of the transfer functions of different initialization schemes, we demonstrate that the S4-PTD/S5-PTD initialization strongly converges to the HiPPO framework, while the S4D/S5 initialization only achieves weak convergences. As a result, our new models show resilience to Fourier-mode noise-perturbed inputs, a crucial property not achieved by the S4D/S5 models. In addition to improved robustness, our S5-PTD model averages 87.6% accuracy on the Long-Range Arena benchmark, demonstrating that the PTD methodology helps to improve the accuracy of deep learning models.

Iterative methods are ubiquitous in large-scale scientific computing applications, and a number of approaches based on meta-learning have been recently proposed to accelerate them. However, a systematic study of these approaches and how they differ from meta-learning is lacking. In this paper, we propose a framework to analyze such learning-based acceleration approaches, where one can immediately identify a departure from classical meta-learning. We show that this departure may lead to arbitrary deterioration of model performance. Based on our analysis, we introduce a novel training method for learning-based acceleration of iterative methods. Furthermore, we theoretically prove that the proposed method improves upon the existing methods, and demonstrate its significant advantage and versatility through various numerical applications.

Popular approaches for quantifying predictive uncertainty in deep neural networks often involve distributions over weights or multiple models, for instance via Markov Chain sampling, ensembling, or Monte Carlo dropout. These techniques usually incur overhead by having to train multiple model instances or do not produce very diverse predictions. This comprehensive and extensive survey aims to familiarize the reader with an alternative class of models based on the concept of Evidential Deep Learning: For unfamiliar data, they aim to admit "what they don't know", and fall back onto a prior belief. Furthermore, they allow uncertainty estimation in a single model and forward pass by parameterizing distributions over distributions. This survey recapitulates existing works, focusing on the implementation in a classification setting, before surveying the application of the same paradigm to regression. We also reflect on the strengths and weaknesses compared to other existing methods and provide the most fundamental derivations using a unified notation to aid future research.

Partial Differential Equations are foundational in modeling science and natural systems such as fluid dynamics and weather forecasting. The Latent Evolution of PDEs method is designed to address the computational intensity of classical and deep learning-based PDE solvers by proposing a scalable and efficient alternative. To enhance the efficiency and accuracy of LE-PDE, we incorporate the Mamba model, an advanced machine learning model known for its predictive efficiency and robustness in handling complex dynamic systems with a progressive learning strategy. The LE-PDE was tested on several benchmark problems. The method demonstrated a marked reduction in computational time compared to traditional solvers and standalone deep learning models while maintaining high accuracy in predicting system behavior over time. Our method doubles the inference speed compared to the LE-PDE while retaining the same level of parameter efficiency, making it well-suited for scenarios requiring long-term predictions.

We consider the general class of time-homogeneous stochastic dynamical systems, both discrete and continuous, and study the problem of learning a representation of the state that faithfully captures its dynamics. This is instrumental to learning the transfer operator or the generator of the system, which in turn can be used for numerous tasks, such as forecasting and interpreting the system dynamics. We show that the search for a good representation can be cast as an optimization problem over neural networks. Our approach is supported by recent results in statistical learning theory, highlighting the role of approximation error and metric distortion in the learning problem. The objective function we propose is associated with projection operators from the representation space to the data space, overcomes metric distortion, and can be empirically estimated from data. In the discrete-time setting, we further derive a relaxed objective function that is differentiable and numerically well-conditioned. We compare our method against state-of-the-art approaches on different datasets, showing better performance across the board.

Active learning is a machine learning paradigm that aims to improve the performance of a model by strategically selecting and querying unlabeled data. One effective selection strategy is to base it on the model's predictive uncertainty, which can be interpreted as a measure of how informative a sample is. The sample's distance to the decision boundary is a natural measure of predictive uncertainty, but it is often intractable to compute, especially for complex decision boundaries formed in multiclass classification tasks. To address this issue, this paper proposes the {\it least disagree metric} (LDM), defined as the smallest probability of disagreement of the predicted label, and an estimator for LDM proven to be asymptotically consistent under mild assumptions. The estimator is computationally efficient and can be easily implemented for deep learning models using parameter perturbation. The LDM-based active learning is performed by querying unlabeled data with the smallest LDM. Experimental results show that our LDM-based active learning algorithm obtains state-of-the-art overall performance on all considered datasets and deep architectures.

The pre-training of large language models usually requires massive amounts of resources, both in terms of computation and data. Frequently used web sources such as Common Crawl might contain enough noise to make this pre-training sub-optimal. In this work, we experiment with different sampling methods from the Spanish version of mC4, and present a novel data-centric technique which we name perplexity sampling that enables the pre-training of language models in roughly half the amount of steps and using one fifth of the data. The resulting models are comparable to the current state-of-the-art, and even achieve better results for certain tasks. Our work is proof of the versatility of Transformers, and paves the way for small teams to train their models on a limited budget. Our models are available at this https://huggingface.co/bertin-project{URL}.

The accessibility of spatially distributed data, enabled by affordable sensors, field, and numerical experiments, has facilitated the development of data-driven solutions for scientific problems, including climate change, weather prediction, and urban planning. Neural Partial Differential Equations (Neural PDEs), which combine deep learning (DL) techniques with domain expertise (e.g., governing equations) for parameterization, have proven to be effective in capturing valuable correlations within spatiotemporal datasets. However, sparse and noisy measurements coupled with modeling approximation introduce aleatoric and epistemic uncertainties. Therefore, quantifying uncertainties propagated from model inputs to outputs remains a challenge and an essential goal for establishing the trustworthiness of Neural PDEs. This work evaluates various Uncertainty Quantification (UQ) approaches for both Forward and Inverse Problems in scientific applications. Specifically, we investigate the effectiveness of Bayesian methods, such as Hamiltonian Monte Carlo (HMC) and Monte-Carlo Dropout (MCD), and a more conventional approach, Deep Ensembles (DE). To illustrate their performance, we take two canonical PDEs: Burger's equation and the Navier-Stokes equation. Our results indicate that Neural PDEs can effectively reconstruct flow systems and predict the associated unknown parameters. However, it is noteworthy that the results derived from Bayesian methods, based on our observations, tend to display a higher degree of certainty in their predictions as compared to those obtained using the DE. This elevated certainty in predictions suggests that Bayesian techniques might underestimate the true underlying uncertainty, thereby appearing more confident in their predictions than the DE approach.

Data-driven model predictive control has two key advantages over model-free methods: a potential for improved sample efficiency through model learning, and better performance as computational budget for planning increases. However, it is both costly to plan over long horizons and challenging to obtain an accurate model of the environment. In this work, we combine the strengths of model-free and model-based methods. We use a learned task-oriented latent dynamics model for local trajectory optimization over a short horizon, and use a learned terminal value function to estimate long-term return, both of which are learned jointly by temporal difference learning. Our method, TD-MPC, achieves superior sample efficiency and asymptotic performance over prior work on both state and image-based continuous control tasks from DMControl and Meta-World. Code and video results are available at https://nicklashansen.github.io/td-mpc.

Monitoring machine learning models once they are deployed is challenging. It is even more challenging to decide when to retrain models in real-case scenarios when labeled data is beyond reach, and monitoring performance metrics becomes unfeasible. In this work, we use non-parametric bootstrapped uncertainty estimates and SHAP values to provide explainable uncertainty estimation as a technique that aims to monitor the deterioration of machine learning models in deployment environments, as well as determine the source of model deterioration when target labels are not available. Classical methods are purely aimed at detecting distribution shift, which can lead to false positives in the sense that the model has not deteriorated despite a shift in the data distribution. To estimate model uncertainty we construct prediction intervals using a novel bootstrap method, which improves upon the work of Kumar & Srivastava (2012). We show that both our model deterioration detection system as well as our uncertainty estimation method achieve better performance than the current state-of-the-art. Finally, we use explainable AI techniques to gain an understanding of the drivers of model deterioration. We release an open source Python package, doubt, which implements our proposed methods, as well as the code used to reproduce our experiments.

Time-dependent partial differential equations (PDEs) are ubiquitous in science and engineering. Recently, mostly due to the high computational cost of traditional solution techniques, deep neural network based surrogates have gained increased interest. The practical utility of such neural PDE solvers relies on their ability to provide accurate, stable predictions over long time horizons, which is a notoriously hard problem. In this work, we present a large-scale analysis of common temporal rollout strategies, identifying the neglect of non-dominant spatial frequency information, often associated with high frequencies in PDE solutions, as the primary pitfall limiting stable, accurate rollout performance. Based on these insights, we draw inspiration from recent advances in diffusion models to introduce PDE-Refiner; a novel model class that enables more accurate modeling of all frequency components via a multistep refinement process. We validate PDE-Refiner on challenging benchmarks of complex fluid dynamics, demonstrating stable and accurate rollouts that consistently outperform state-of-the-art models, including neural, numerical, and hybrid neural-numerical architectures. We further demonstrate that PDE-Refiner greatly enhances data efficiency, since the denoising objective implicitly induces a novel form of spectral data augmentation. Finally, PDE-Refiner's connection to diffusion models enables an accurate and efficient assessment of the model's predictive uncertainty, allowing us to estimate when the surrogate becomes inaccurate.

This paper presents a systematic overview and comparison of parameter-efficient fine-tuning methods covering over 40 papers published between February 2019 and February 2023. These methods aim to resolve the infeasibility and impracticality of fine-tuning large language models by only training a small set of parameters. We provide a taxonomy that covers a broad range of methods and present a detailed method comparison with a specific focus on real-life efficiency and fine-tuning multibillion-scale language models.

When training deep learning models, the performance depends largely on the selected hyperparameters. However, hyperparameter optimization (HPO) is often one of the most expensive parts of model design. Classical HPO methods treat this as a black-box optimization problem. However, gray-box HPO methods, which incorporate more information about the setup, have emerged as a promising direction for more efficient optimization. For example, using intermediate loss evaluations to terminate bad selections. In this work, we propose an HPO method for neural networks using logged checkpoints of the trained weights to guide future hyperparameter selections. Our method, Forecasting Model Search (FMS), embeds weights into a Gaussian process deep kernel surrogate model, using a permutation-invariant graph metanetwork to be data-efficient with the logged network weights. To facilitate reproducibility and further research, we open-source our code at https://github.com/NVlabs/forecasting-model-search.

Frontier models that generate extended reasoning traces inadvertently produce rich token sequences that can facilitate model distillation. Recognizing this vulnerability, model owners may seek sampling strategies that limit the effectiveness of distillation without compromising model performance. Antidistillation sampling provides exactly this capability. By strategically modifying a model's next-token probability distribution, antidistillation sampling poisons reasoning traces, rendering them significantly less effective for distillation while preserving the model's practical utility. For further details, see https://antidistillation.com.

Recent work in scientific machine learning (SciML) has focused on incorporating partial differential equation (PDE) information into the learning process. Much of this work has focused on relatively ``easy'' PDE operators (e.g., elliptic and parabolic), with less emphasis on relatively ``hard'' PDE operators (e.g., hyperbolic). Within numerical PDEs, the latter problem class requires control of a type of volume element or conservation constraint, which is known to be challenging. Delivering on the promise of SciML requires seamlessly incorporating both types of problems into the learning process. To address this issue, we propose ProbConserv, a framework for incorporating conservation constraints into a generic SciML architecture. To do so, ProbConserv combines the integral form of a conservation law with a Bayesian update. We provide a detailed analysis of ProbConserv on learning with the Generalized Porous Medium Equation (GPME), a widely-applicable parameterized family of PDEs that illustrates the qualitative properties of both easier and harder PDEs. ProbConserv is effective for easy GPME variants, performing well with state-of-the-art competitors; and for harder GPME variants it outperforms other approaches that do not guarantee volume conservation. ProbConserv seamlessly enforces physical conservation constraints, maintains probabilistic uncertainty quantification (UQ), and deals well with shocks and heteroscedasticities. In each case, it achieves superior predictive performance on downstream tasks.

Diffusion models are a class of probabilistic generative models that have been widely used as a prior for image processing tasks like text conditional generation and inpainting. We demonstrate that these models can be adapted to make predictions and provide uncertainty quantification for chaotic dynamical systems. In these applications, diffusion models can implicitly represent knowledge about outliers and extreme events; however, querying that knowledge through conditional sampling or measuring probabilities is surprisingly difficult. Existing methods for conditional sampling at inference time seek mainly to enforce the constraints, which is insufficient to match the statistics of the distribution or compute the probability of the chosen events. To achieve these ends, optimally one would use the conditional score function, but its computation is typically intractable. In this work, we develop a probabilistic approximation scheme for the conditional score function which provably converges to the true distribution as the noise level decreases. With this scheme we are able to sample conditionally on nonlinear userdefined events at inference time, and matches data statistics even when sampling from the tails of the distribution.

Inverse design, where we seek to design input variables in order to optimize an underlying objective function, is an important problem that arises across fields such as mechanical engineering to aerospace engineering. Inverse design is typically formulated as an optimization problem, with recent works leveraging optimization across learned dynamics models. However, as models are optimized they tend to fall into adversarial modes, preventing effective sampling. We illustrate that by instead optimizing over the learned energy function captured by the diffusion model, we can avoid such adversarial examples and significantly improve design performance. We further illustrate how such a design system is compositional, enabling us to combine multiple different diffusion models representing subcomponents of our desired system to design systems with every specified component. In an N-body interaction task and a challenging 2D multi-airfoil design task, we demonstrate that by composing the learned diffusion model at test time, our method allows us to design initial states and boundary shapes that are more complex than those in the training data. Our method generalizes to more objects for N-body dataset and discovers formation flying to minimize drag in the multi-airfoil design task. Project website and code can be found at https://github.com/AI4Science-WestlakeU/cindm.

We study neural network loss landscapes through the lens of mode connectivity, the observation that minimizers of neural networks retrieved via training on a dataset are connected via simple paths of low loss. Specifically, we ask the following question: are minimizers that rely on different mechanisms for making their predictions connected via simple paths of low loss? We provide a definition of mechanistic similarity as shared invariances to input transformations and demonstrate that lack of linear connectivity between two models implies they use dissimilar mechanisms for making their predictions. Relevant to practice, this result helps us demonstrate that naive fine-tuning on a downstream dataset can fail to alter a model's mechanisms, e.g., fine-tuning can fail to eliminate a model's reliance on spurious attributes. Our analysis also motivates a method for targeted alteration of a model's mechanisms, named connectivity-based fine-tuning (CBFT), which we analyze using several synthetic datasets for the task of reducing a model's reliance on spurious attributes.

We present OLMo 2, the next generation of our fully open language models. OLMo 2 includes dense autoregressive models with improved architecture and training recipe, pretraining data mixtures, and instruction tuning recipes. Our modified model architecture and training recipe achieve both better training stability and improved per-token efficiency. Our updated pretraining data mixture introduces a new, specialized data mix called Dolmino Mix 1124, which significantly improves model capabilities across many downstream task benchmarks when introduced via late-stage curriculum training (i.e. specialized data during the annealing phase of pretraining). Finally, we incorporate best practices from T\"ulu 3 to develop OLMo 2-Instruct, focusing on permissive data and extending our final-stage reinforcement learning with verifiable rewards (RLVR). Our OLMo 2 base models sit at the Pareto frontier of performance to compute, often matching or outperforming open-weight only models like Llama 3.1 and Qwen 2.5 while using fewer FLOPs and with fully transparent training data, code, and recipe. Our fully open OLMo 2-Instruct models are competitive with or surpassing open-weight only models of comparable size, including Qwen 2.5, Llama 3.1 and Gemma 2. We release all OLMo 2 artifacts openly -- models at 7B and 13B scales, both pretrained and post-trained, including their full training data, training code and recipes, training logs and thousands of intermediate checkpoints. The final instruction model is available on the Ai2 Playground as a free research demo.

The new paradigm of finetuning-as-a-service introduces a new attack surface for Large Language Models (LLMs): a few harmful data uploaded by users can easily trick the finetuning to produce an alignment-broken model. We conduct an empirical analysis and uncover a harmful embedding drift phenomenon, showing a probable cause of the alignment-broken effect. Inspired by our findings, we propose Vaccine, a perturbation-aware alignment technique to mitigate the security risk of users finetuning. The core idea of Vaccine is to produce invariant hidden embeddings by progressively adding crafted perturbation to them in the alignment phase. This enables the embeddings to withstand harmful perturbation from un-sanitized user data in the finetuning phase. Our results on open source mainstream LLMs (e.g., Llama2, Opt, Vicuna) demonstrate that Vaccine can boost the robustness of alignment against harmful prompts induced embedding drift while reserving reasoning ability towards benign prompts. Our code is available at https://github.com/git-disl/Vaccine.

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.

Identifying how much a model {p}_{theta}(Y|X) knows about the stochastic real-world process p(Y|X) it was trained on is important to ensure it avoids producing incorrect or "hallucinated" answers or taking unsafe actions. But this is difficult for generative models because probabilistic predictions do not distinguish between per-response noise (aleatoric uncertainty) and lack of knowledge about the process (epistemic uncertainty), and existing epistemic uncertainty quantification techniques tend to be overconfident when the model underfits. We propose a general strategy for teaching a model to both approximate p(Y|X) and also estimate the remaining gaps between {p}_{theta}(Y|X) and p(Y|X): train it to predict pairs of independent responses drawn from the true conditional distribution, allow it to "cheat" by observing one response while predicting the other, then measure how much it cheats. Remarkably, we prove that being good at cheating (i.e. cheating whenever it improves your prediction) is equivalent to being second-order calibrated, a principled extension of ordinary calibration that allows us to construct provably-correct frequentist confidence intervals for p(Y|X) and detect incorrect responses with high probability. We demonstrate empirically that our approach accurately estimates how much models don't know across ambiguous image classification, (synthetic) language modeling, and partially-observable navigation tasks, outperforming existing techniques.

We propose that the grokking phenomenon, where the train loss of a neural network decreases much earlier than its test loss, can arise due to a neural network transitioning from lazy training dynamics to a rich, feature learning regime. To illustrate this mechanism, we study the simple setting of vanilla gradient descent on a polynomial regression problem with a two layer neural network which exhibits grokking without regularization in a way that cannot be explained by existing theories. We identify sufficient statistics for the test loss of such a network, and tracking these over training reveals that grokking arises in this setting when the network first attempts to fit a kernel regression solution with its initial features, followed by late-time feature learning where a generalizing solution is identified after train loss is already low. We provide an asymptotic theoretical description of the grokking dynamics in this model using dynamical mean field theory (DMFT) for high dimensional data. We find that the key determinants of grokking are the rate of feature learning -- which can be controlled precisely by parameters that scale the network output -- and the alignment of the initial features with the target function y(x). We argue this delayed generalization arises when (1) the top eigenvectors of the initial neural tangent kernel and the task labels y(x) are misaligned, but (2) the dataset size is large enough so that it is possible for the network to generalize eventually, but not so large that train loss perfectly tracks test loss at all epochs, and (3) the network begins training in the lazy regime so does not learn features immediately. We conclude with evidence that this transition from lazy (linear model) to rich training (feature learning) can control grokking in more general settings, like on MNIST, one-layer Transformers, and student-teacher networks.

Large language models (LLMs) may exhibit undesirable behaviors. Recent efforts have focused on aligning these models to prevent harmful generation. Despite these efforts, studies have shown that even a well-conducted alignment process can be easily circumvented, whether intentionally or accidentally. Do alignment fine-tuning have robust effects on models, or are merely superficial? In this work, we answer this question through both theoretical and empirical means. Empirically, we demonstrate the elasticity of post-alignment models, i.e., the tendency to revert to the behavior distribution formed during the pre-training phase upon further fine-tuning. Using compression theory, we formally derive that such fine-tuning process disproportionately undermines alignment compared to pre-training, potentially by orders of magnitude. We conduct experimental validations to confirm the presence of elasticity across models of varying types and sizes. Specifically, we find that model performance declines rapidly before reverting to the pre-training distribution, after which the rate of decline drops significantly. We further reveal that elasticity positively correlates with increased model size and the expansion of pre-training data. Our discovery signifies the importance of taming the inherent elasticity of LLMs, thereby overcoming the resistance of LLMs to alignment finetuning.

As synthetic data becomes higher quality and proliferates on the internet, machine learning models are increasingly trained on a mix of human- and machine-generated data. Despite the successful stories of using synthetic data for representation learning, using synthetic data for generative model training creates "self-consuming loops" which may lead to training instability or even collapse, unless certain conditions are met. Our paper aims to stabilize self-consuming generative model training. Our theoretical results demonstrate that by introducing an idealized correction function, which maps a data point to be more likely under the true data distribution, self-consuming loops can be made exponentially more stable. We then propose self-correction functions, which rely on expert knowledge (e.g. the laws of physics programmed in a simulator), and aim to approximate the idealized corrector automatically and at scale. We empirically validate the effectiveness of self-correcting self-consuming loops on the challenging human motion synthesis task, and observe that it successfully avoids model collapse, even when the ratio of synthetic data to real data is as high as 100%.

While neural networks can be approximated by linear models as their width increases, certain properties of wide neural networks cannot be captured by linear models. In this work we show that recently proposed Neural Quadratic Models can exhibit the "catapult phase" [Lewkowycz et al. 2020] that arises when training such models with large learning rates. We then empirically show that the behaviour of neural quadratic models parallels that of neural networks in generalization, especially in the catapult phase regime. Our analysis further demonstrates that quadratic models can be an effective tool for analysis of neural networks.

We study the problem of designing models for machine learning tasks defined on sets. In contrast to traditional approach of operating on fixed dimensional vectors, we consider objective functions defined on sets that are invariant to permutations. Such problems are widespread, ranging from estimation of population statistics poczos13aistats, to anomaly detection in piezometer data of embankment dams Jung15Exploration, to cosmology Ntampaka16Dynamical,Ravanbakhsh16ICML1. Our main theorem characterizes the permutation invariant functions and provides a family of functions to which any permutation invariant objective function must belong. This family of functions has a special structure which enables us to design a deep network architecture that can operate on sets and which can be deployed on a variety of scenarios including both unsupervised and supervised learning tasks. We also derive the necessary and sufficient conditions for permutation equivariance in deep models. We demonstrate the applicability of our method on population statistic estimation, point cloud classification, set expansion, and outlier detection.

This paper poses two critical issues in evaluating base models (without post-training): (1) Unstable evaluation during training: in the early stages of pre-training, the models lack the capability to answer questions as required, leading to unstable evaluation results. This instability makes it difficult to provide solid conclusions to guide the training, especially for key experiments such as data ablation and scaling law. (2) Inconsistency between base and instruct models: base models generally exhibit poorer evaluation performance compared to corresponding instruct models. This gap poses a challenge for assessing whether a base model with better evaluation can truly lead to a better instruct model. To address these issues, we propose Base model Oriented Systematic Evaluation (BOSE), a method specifically designed to optimize the evaluation of base models. Specifically, BOSE introduces two key innovations: In-Context Light-instruction Prompt (ICLiP) for open-ended tasks and Blank-ppl for multi-choice tasks with candidate options, which transforms the standard perplexity (ppl) metric into a fill-in-the-blank format to mitigate early-stage evaluation fluctuations. Furthermore, we are the first to propose Kendall's rank correlation to quantitatively measure the evaluation stability and consistency. Experimental results demonstrate that BOSE significantly enhances both the stability of evaluations during pre-training and the consistency between base and instruct models, thereby providing more reliable guidance for the LLMs' training.

In continual learning, catastrophic forgetting is affected by multiple aspects of the tasks. Previous works have analyzed separately how forgetting is affected by either task similarity or overparameterization. In contrast, our paper examines how task similarity and overparameterization jointly affect forgetting in an analyzable model. Specifically, we focus on two-task continual linear regression, where the second task is a random orthogonal transformation of an arbitrary first task (an abstraction of random permutation tasks). We derive an exact analytical expression for the expected forgetting - and uncover a nuanced pattern. In highly overparameterized models, intermediate task similarity causes the most forgetting. However, near the interpolation threshold, forgetting decreases monotonically with the expected task similarity. We validate our findings with linear regression on synthetic data, and with neural networks on established permutation task benchmarks.

We propose a new method called the N-particle underdamped Langevin algorithm for optimizing a special class of non-linear functionals defined over the space of probability measures. Examples of problems with this formulation include training mean-field neural networks, maximum mean discrepancy minimization and kernel Stein discrepancy minimization. Our algorithm is based on a novel spacetime discretization of the mean-field underdamped Langevin dynamics, for which we provide a new, fast mixing guarantee. In addition, we demonstrate that our algorithm converges globally in total variation distance, bridging the theoretical gap between the dynamics and its practical implementation.

Despite the ability to train capable LLMs, the methodology for maintaining their relevancy and rectifying errors remains elusive. To this end, the past few years have witnessed a surge in techniques for editing LLMs, the objective of which is to efficiently alter the behavior of LLMs within a specific domain without negatively impacting performance across other inputs. This paper embarks on a deep exploration of the problems, methods, and opportunities related to model editing for LLMs. In particular, we provide an exhaustive overview of the task definition and challenges associated with model editing, along with an in-depth empirical analysis of the most progressive methods currently at our disposal. We also build a new benchmark dataset to facilitate a more robust evaluation and pinpoint enduring issues intrinsic to existing techniques. Our objective is to provide valuable insights into the effectiveness and feasibility of each editing technique, thereby assisting the community in making informed decisions on the selection of the most appropriate method for a specific task or context. Code and datasets are available at https://github.com/zjunlp/EasyEdit.

The analysis of parametric and non-parametric uncertainties of very large dynamical systems requires the construction of a stochastic model of said system. Linear approaches relying on random matrix theory and principal componant analysis can be used when systems undergo low-frequency vibrations. In the case of fast dynamics and wave propagation, we investigate a random generator of boundary conditions for fast submodels by using machine learning. We show that the use of non-linear techniques in machine learning and data-driven methods is highly relevant. Physics-informed neural networks is a possible choice for a data-driven method to replace linear modal analysis. An architecture that support a random component is necessary for the construction of the stochastic model of the physical system for non-parametric uncertainties, since the goal is to learn the underlying probabilistic distribution of uncertainty in the data. Generative Adversarial Networks (GANs) are suited for such applications, where the Wasserstein-GAN with gradient penalty variant offers improved convergence results for our problem. The objective of our approach is to train a GAN on data from a finite element method code (Fenics) so as to extract stochastic boundary conditions for faster finite element predictions on a submodel. The submodel and the training data have both the same geometrical support. It is a zone of interest for uncertainty quantification and relevant to engineering purposes. In the exploitation phase, the framework can be viewed as a randomized and parametrized simulation generator on the submodel, which can be used as a Monte Carlo estimator.

The deployment of ever-larger machine learning models reflects a growing consensus that the more expressive the modelx2013and the more data one has access tox2013the more one can improve performance. As models get deployed in a variety of real world scenarios, they inevitably face strategic environments. In this work, we consider the natural question of how the interplay of models and strategic interactions affects scaling laws. We find that strategic interactions can break the conventional view of scaling lawsx2013meaning that performance does not necessarily monotonically improve as models get larger and/ or more expressive (even with infinite data). We show the implications of this phenomenon in several contexts including strategic regression, strategic classification, and multi-agent reinforcement learning through examples of strategic environments in whichx2013by simply restricting the expressivity of one's model or policy classx2013one can achieve strictly better equilibrium outcomes. Motivated by these examples, we then propose a new paradigm for model-selection in games wherein an agent seeks to choose amongst different model classes to use as their action set in a game.

While fine-tuning pretrained models has become common practice, these models often underperform outside their specific domains. Recently developed model merging techniques enable the direct integration of multiple models, each fine-tuned for distinct tasks, into a single model. This strategy promotes multitasking capabilities without requiring retraining on the original datasets. However, existing methods fall short in addressing potential conflicts and complex correlations between tasks, especially in parameter-level adjustments, posing a challenge in effectively balancing parameter competition across various tasks. This paper introduces an innovative technique named PCB-Merging (Parameter Competition Balancing), a lightweight and training-free technique that adjusts the coefficients of each parameter for effective model merging. PCB-Merging employs intra-balancing to gauge parameter significance within individual tasks and inter-balancing to assess parameter similarities across different tasks. Parameters with low importance scores are dropped, and the remaining ones are rescaled to form the final merged model. We assessed our approach in diverse merging scenarios, including cross-task, cross-domain, and cross-training configurations, as well as out-of-domain generalization. The experimental results reveal that our approach achieves substantial performance enhancements across multiple modalities, domains, model sizes, number of tasks, fine-tuning forms, and large language models, outperforming existing model merging methods. The code is publicly available at: https://github.com/duguodong7/pcb-merging.

While large pre-trained models have enabled impressive results on a variety of downstream tasks, the largest existing models still make errors, and even accurate predictions may become outdated over time. Because detecting all such failures at training time is impossible, enabling both developers and end users of such models to correct inaccurate outputs while leaving the model otherwise intact is desirable. However, the distributed, black-box nature of the representations learned by large neural networks makes producing such targeted edits difficult. If presented with only a single problematic input and new desired output, fine-tuning approaches tend to overfit; other editing algorithms are either computationally infeasible or simply ineffective when applied to very large models. To enable easy post-hoc editing at scale, we propose Model Editor Networks using Gradient Decomposition (MEND), a collection of small auxiliary editing networks that use a single desired input-output pair to make fast, local edits to a pre-trained model's behavior. MEND learns to transform the gradient obtained by standard fine-tuning, using a low-rank decomposition of the gradient to make the parameterization of this transformation tractable. MEND can be trained on a single GPU in less than a day even for 10 billion+ parameter models; once trained MEND enables rapid application of new edits to the pre-trained model. Our experiments with T5, GPT, BERT, and BART models show that MEND is the only approach to model editing that effectively edits the behavior of models with more than 10 billion parameters. Code and data available at https://sites.google.com/view/mend-editing.

Deep neural networks are highly performant, but might base their decision on spurious or background features that co-occur with certain classes, which can hurt generalization. To mitigate this issue, the usage of 'model guidance' has gained popularity recently: for this, models are guided to be "right for the right reasons" by regularizing the models' explanations to highlight the right features. Experimental validation of these approaches has thus far however been limited to relatively simple and / or synthetic datasets. To gain a better understanding of which model-guiding approaches actually transfer to more challenging real-world datasets, in this work we conduct an in-depth evaluation across various loss functions, attribution methods, models, and 'guidance depths' on the PASCAL VOC 2007 and MS COCO 2014 datasets, and show that model guidance can sometimes even improve model performance. In this context, we further propose a novel energy loss, show its effectiveness in directing the model to focus on object features. We also show that these gains can be achieved even with a small fraction (e.g. 1%) of bounding box annotations, highlighting the cost effectiveness of this approach. Lastly, we show that this approach can also improve generalization under distribution shifts. Code will be made available.

Multiscale problems are ubiquitous in physics. Numerical simulations of such problems by solving partial differential equations (PDEs) at high resolution are computationally too expensive for many-query scenarios, e.g., uncertainty quantification, remeshing applications, topology optimization, and so forth. This limitation has motivated the application of data-driven surrogate models, where the microscale computations are substituted with a surrogate, usually acting as a black-box mapping between macroscale quantities. These models offer significant speedups but struggle with incorporating microscale physical constraints, such as the balance of linear momentum and constitutive models. In this contribution, we propose Equilibrium Neural Operator (EquiNO) as a complementary physics-informed PDE surrogate for predicting microscale physics and compare it with variational physics-informed neural and operator networks. Our framework, applicable to the so-called multiscale FE^{,2}, computations, introduces the FE-OL approach by integrating the finite element (FE) method with operator learning (OL). We apply the proposed FE-OL approach to quasi-static problems of solid mechanics. The results demonstrate that FE-OL can yield accurate solutions even when confronted with a restricted dataset during model development. Our results show that EquiNO achieves speedup factors exceeding 8000-fold compared to traditional methods and offers an optimal balance between data-driven and physics-based strategies.

The ubiquity of large-scale Pre-Trained Models (PTMs) is on the rise, sparking interest in model hubs, and dedicated platforms for hosting PTMs. Despite this trend, a comprehensive exploration of the challenges that users encounter and how the community leverages PTMs remains lacking. To address this gap, we conducted an extensive mixed-methods empirical study by focusing on discussion forums and the model hub of HuggingFace, the largest public model hub. Based on our qualitative analysis, we present a taxonomy of the challenges and benefits associated with PTM reuse within this community. We then conduct a quantitative study to track model-type trends and model documentation evolution over time. Our findings highlight prevalent challenges such as limited guidance for beginner users, struggles with model output comprehensibility in training or inference, and a lack of model understanding. We also identified interesting trends among models where some models maintain high upload rates despite a decline in topics related to them. Additionally, we found that despite the introduction of model documentation tools, its quantity has not increased over time, leading to difficulties in model comprehension and selection among users. Our study sheds light on new challenges in reusing PTMs that were not reported before and we provide recommendations for various stakeholders involved in PTM reuse.