Daily Papers

We propose a new regularization method based on virtual adversarial loss: a new measure of local smoothness of the conditional label distribution given input. Virtual adversarial loss is defined as the robustness of the conditional label distribution around each input data point against local perturbation. Unlike adversarial training, our method defines the adversarial direction without label information and is hence applicable to semi-supervised learning. Because the directions in which we smooth the model are only "virtually" adversarial, we call our method virtual adversarial training (VAT). The computational cost of VAT is relatively low. For neural networks, the approximated gradient of virtual adversarial loss can be computed with no more than two pairs of forward- and back-propagations. In our experiments, we applied VAT to supervised and semi-supervised learning tasks on multiple benchmark datasets. With a simple enhancement of the algorithm based on the entropy minimization principle, our VAT achieves state-of-the-art performance for semi-supervised learning tasks on SVHN and CIFAR-10.

Unsupervised domain adaptation (UDA) refers to a domain adaptation framework in which a learning model is trained based on the labeled samples on the source domain and unlabelled ones in the target domain. The dominant existing methods in the field that rely on the classical covariate shift assumption to learn domain-invariant feature representation have yielded suboptimal performance under the label distribution shift between source and target domains. In this paper, we propose a novel conditional adversarial support alignment (CASA) whose aim is to minimize the conditional symmetric support divergence between the source's and target domain's feature representation distributions, aiming at a more helpful representation for the classification task. We also introduce a novel theoretical target risk bound, which justifies the merits of aligning the supports of conditional feature distributions compared to the existing marginal support alignment approach in the UDA settings. We then provide a complete training process for learning in which the objective optimization functions are precisely based on the proposed target risk bound. Our empirical results demonstrate that CASA outperforms other state-of-the-art methods on different UDA benchmark tasks under label shift conditions.

We study the domain adaptation problem with label shift in this work. Under the label shift context, the marginal distribution of the label varies across the training and testing datasets, while the conditional distribution of features given the label is the same. Traditional label shift adaptation methods either suffer from large estimation errors or require cumbersome post-prediction calibrations. To address these issues, we first propose a moment-matching framework for adapting the label shift based on the geometry of the influence function. Under such a framework, we propose a novel method named Efficient Label Shift Adaptation (ELSA), in which the adaptation weights can be estimated by solving linear systems. Theoretically, the ELSA estimator is n-consistent (n is the sample size of the source data) and asymptotically normal. Empirically, we show that ELSA can achieve state-of-the-art estimation performances without post-prediction calibrations, thus, gaining computational efficiency.

Pruning deep neural networks is a widely used strategy to alleviate the computational burden in machine learning. Overwhelming empirical evidence suggests that pruned models retain very high accuracy even with a tiny fraction of parameters. However, relatively little work has gone into characterising the small pruned networks obtained, beyond a measure of their accuracy. In this paper, we use the sparse double descent approach to identify univocally and characterise pruned models associated with classification tasks. We observe empirically that, for a given task, iterative magnitude pruning (IMP) tends to converge to networks of comparable sizes even when starting from full networks with sizes ranging over orders of magnitude. We analyse the best pruned models in a controlled experimental setup and show that their number of parameters reflects task difficulty and that they are much better than full networks at capturing the true conditional probability distribution of the labels. On real data, we similarly observe that pruned models are less prone to overconfident predictions. Our results suggest that pruned models obtained via IMP not only have advantageous computational properties but also provide a better representation of uncertainty in learning.

Learning image classification and image generation using the same set of network parameters is a challenging problem. Recent advanced approaches perform well in one task often exhibit poor performance in the other. This work introduces an energy-based classifier and generator, namely EGC, which can achieve superior performance in both tasks using a single neural network. Unlike a conventional classifier that outputs a label given an image (i.e., a conditional distribution p(y|x)), the forward pass in EGC is a classifier that outputs a joint distribution p(x,y), enabling an image generator in its backward pass by marginalizing out the label y. This is done by estimating the energy and classification probability given a noisy image in the forward pass, while denoising it using the score function estimated in the backward pass. EGC achieves competitive generation results compared with state-of-the-art approaches on ImageNet-1k, CelebA-HQ and LSUN Church, while achieving superior classification accuracy and robustness against adversarial attacks on CIFAR-10. This work represents the first successful attempt to simultaneously excel in both tasks using a single set of network parameters. We believe that EGC bridges the gap between discriminative and generative learning.

We tackle the task of reconstructing hand-object interactions from short video clips. Given an input video, our approach casts 3D inference as a per-video optimization and recovers a neural 3D representation of the object shape, as well as the time-varying motion and hand articulation. While the input video naturally provides some multi-view cues to guide 3D inference, these are insufficient on their own due to occlusions and limited viewpoint variations. To obtain accurate 3D, we augment the multi-view signals with generic data-driven priors to guide reconstruction. Specifically, we learn a diffusion network to model the conditional distribution of (geometric) renderings of objects conditioned on hand configuration and category label, and leverage it as a prior to guide the novel-view renderings of the reconstructed scene. We empirically evaluate our approach on egocentric videos across 6 object categories, and observe significant improvements over prior single-view and multi-view methods. Finally, we demonstrate our system's ability to reconstruct arbitrary clips from YouTube, showing both 1st and 3rd person interactions.

Recent approaches for weakly supervised instance segmentations depend on two components: (i) a pseudo label generation model that provides instances which are consistent with a given annotation; and (ii) an instance segmentation model, which is trained in a supervised manner using the pseudo labels as ground-truth. Unlike previous approaches, we explicitly model the uncertainty in the pseudo label generation process using a conditional distribution. The samples drawn from our conditional distribution provide accurate pseudo labels due to the use of semantic class aware unary terms, boundary aware pairwise smoothness terms, and annotation aware higher order terms. Furthermore, we represent the instance segmentation model as an annotation agnostic prediction distribution. In contrast to previous methods, our representation allows us to define a joint probabilistic learning objective that minimizes the dissimilarity between the two distributions. Our approach achieves state of the art results on the PASCAL VOC 2012 data set, outperforming the best baseline by 4.2% [email protected] and 4.8% [email protected].

Often, labeling large amount of data is challenging due to high labeling cost limiting the application domain of deep learning techniques. Active learning (AL) tackles this by querying the most informative samples to be annotated among unlabeled pool. Two promising directions for AL that have been recently explored are task-agnostic approach to select data points that are far from the current labeled pool and task-aware approach that relies on the perspective of task model. Unfortunately, the former does not exploit structures from tasks and the latter does not seem to well-utilize overall data distribution. Here, we propose task-aware variational adversarial AL (TA-VAAL) that modifies task-agnostic VAAL, that considered data distribution of both label and unlabeled pools, by relaxing task learning loss prediction to ranking loss prediction and by using ranking conditional generative adversarial network to embed normalized ranking loss information on VAAL. Our proposed TA-VAAL outperforms state-of-the-arts on various benchmark datasets for classifications with balanced / imbalanced labels as well as semantic segmentation and its task-aware and task-agnostic AL properties were confirmed with our in-depth analyses.

Semantic segmentation has made significant progress in recent years thanks to deep neural networks, but the common objective of generating a single segmentation output that accurately matches the image's content may not be suitable for safety-critical domains such as medical diagnostics and autonomous driving. Instead, multiple possible correct segmentation maps may be required to reflect the true distribution of annotation maps. In this context, stochastic semantic segmentation methods must learn to predict conditional distributions of labels given the image, but this is challenging due to the typically multimodal distributions, high-dimensional output spaces, and limited annotation data. To address these challenges, we propose a conditional categorical diffusion model (CCDM) for semantic segmentation based on Denoising Diffusion Probabilistic Models. Our model is conditioned to the input image, enabling it to generate multiple segmentation label maps that account for the aleatoric uncertainty arising from divergent ground truth annotations. Our experimental results show that CCDM achieves state-of-the-art performance on LIDC, a stochastic semantic segmentation dataset, and outperforms established baselines on the classical segmentation dataset Cityscapes.

Supervised learning is often affected by a covariate shift in which the marginal distributions of instances (covariates x) of training and testing samples p_tr(x) and p_te(x) are different but the label conditionals coincide. Existing approaches address such covariate shift by either using the ratio p_te(x)/p_tr(x) to weight training samples (reweighted methods) or using the ratio p_tr(x)/p_te(x) to weight testing samples (robust methods). However, the performance of such approaches can be poor under support mismatch or when the above ratios take large values. We propose a minimax risk classification (MRC) approach for covariate shift adaptation that avoids such limitations by weighting both training and testing samples. In addition, we develop effective techniques that obtain both sets of weights and generalize the conventional kernel mean matching method. We provide novel generalization bounds for our method that show a significant increase in the effective sample size compared with reweighted methods. The proposed method also achieves enhanced classification performance in both synthetic and empirical experiments.

Conditional generative models aim to learn the underlying joint distribution of data and labels to achieve conditional data generation. Among them, the auxiliary classifier generative adversarial network (AC-GAN) has been widely used, but suffers from the problem of low intra-class diversity of the generated samples. The fundamental reason pointed out in this paper is that the classifier of AC-GAN is generator-agnostic, which therefore cannot provide informative guidance for the generator to approach the joint distribution, resulting in a minimization of the conditional entropy that decreases the intra-class diversity. Motivated by this understanding, we propose a novel conditional GAN with an auxiliary discriminative classifier (ADC-GAN) to resolve the above problem. Specifically, the proposed auxiliary discriminative classifier becomes generator-aware by recognizing the class-labels of the real data and the generated data discriminatively. Our theoretical analysis reveals that the generator can faithfully learn the joint distribution even without the original discriminator, making the proposed ADC-GAN robust to the value of the coefficient hyperparameter and the selection of the GAN loss, and stable during training. Extensive experimental results on synthetic and real-world datasets demonstrate the superiority of ADC-GAN in conditional generative modeling compared to state-of-the-art classifier-based and projection-based conditional GANs.

Deep generative models are becoming a cornerstone of modern machine learning. Recent work on conditional generative adversarial networks has shown that learning complex, high-dimensional distributions over natural images is within reach. While the latest models are able to generate high-fidelity, diverse natural images at high resolution, they rely on a vast quantity of labeled data. In this work we demonstrate how one can benefit from recent work on self- and semi-supervised learning to outperform the state of the art on both unsupervised ImageNet synthesis, as well as in the conditional setting. In particular, the proposed approach is able to match the sample quality (as measured by FID) of the current state-of-the-art conditional model BigGAN on ImageNet using only 10% of the labels and outperform it using 20% of the labels.

We address the problem of network calibration adjusting miscalibrated confidences of deep neural networks. Many approaches to network calibration adopt a regularization-based method that exploits a regularization term to smooth the miscalibrated confidences. Although these approaches have shown the effectiveness on calibrating the networks, there is still a lack of understanding on the underlying principles of regularization in terms of network calibration. We present in this paper an in-depth analysis of existing regularization-based methods, providing a better understanding on how they affect to network calibration. Specifically, we have observed that 1) the regularization-based methods can be interpreted as variants of label smoothing, and 2) they do not always behave desirably. Based on the analysis, we introduce a novel loss function, dubbed ACLS, that unifies the merits of existing regularization methods, while avoiding the limitations. We show extensive experimental results for image classification and semantic segmentation on standard benchmarks, including CIFAR10, Tiny-ImageNet, ImageNet, and PASCAL VOC, demonstrating the effectiveness of our loss function.

We consider the problem of weakly supervised object detection, where the training samples are annotated using only image-level labels that indicate the presence or absence of an object category. In order to model the uncertainty in the location of the objects, we employ a dissimilarity coefficient based probabilistic learning objective. The learning objective minimizes the difference between an annotation agnostic prediction distribution and an annotation aware conditional distribution. The main computational challenge is the complex nature of the conditional distribution, which consists of terms over hundreds or thousands of variables. The complexity of the conditional distribution rules out the possibility of explicitly modeling it. Instead, we exploit the fact that deep learning frameworks rely on stochastic optimization. This allows us to use a state of the art discrete generative model that can provide annotation consistent samples from the conditional distribution. Extensive experiments on PASCAL VOC 2007 and 2012 data sets demonstrate the efficacy of our proposed approach.

The machine learning community is increasingly recognizing the importance of fostering trust and safety in modern generative AI (GenAI) models. We posit machine unlearning (MU) as a crucial foundation for developing safe, secure, and trustworthy GenAI models. Traditional MU methods often rely on stringent assumptions and require access to real data. This paper introduces Score Forgetting Distillation (SFD), an innovative MU approach that promotes the forgetting of undesirable information in diffusion models by aligning the conditional scores of "unsafe" classes or concepts with those of "safe" ones. To eliminate the need for real data, our SFD framework incorporates a score-based MU loss into the score distillation objective of a pretrained diffusion model. This serves as a regularization term that preserves desired generation capabilities while enabling the production of synthetic data through a one-step generator. Our experiments on pretrained label-conditional and text-to-image diffusion models demonstrate that our method effectively accelerates the forgetting of target classes or concepts during generation, while preserving the quality of other classes or concepts. This unlearned and distilled diffusion not only pioneers a novel concept in MU but also accelerates the generation speed of diffusion models. Our experiments and studies on a range of diffusion models and datasets confirm that our approach is generalizable, effective, and advantageous for MU in diffusion models. (Warning: This paper contains sexually explicit imagery, discussions of pornography, racially-charged terminology, and other content that some readers may find disturbing, distressing, and/or offensive.)

Learning from Label Proportions (LLP) is a learning problem where only aggregate level labels are available for groups of instances, called bags, during training, and the aim is to get the best performance at the instance-level on the test data. This setting arises in domains like advertising and medicine due to privacy considerations. We propose a novel algorithmic framework for this problem that iteratively performs two main steps. For the first step (Pseudo Labeling) in every iteration, we define a Gibbs distribution over binary instance labels that incorporates a) covariate information through the constraint that instances with similar covariates should have similar labels and b) the bag level aggregated label. We then use Belief Propagation (BP) to marginalize the Gibbs distribution to obtain pseudo labels. In the second step (Embedding Refinement), we use the pseudo labels to provide supervision for a learner that yields a better embedding. Further, we iterate on the two steps again by using the second step's embeddings as new covariates for the next iteration. In the final iteration, a classifier is trained using the pseudo labels. Our algorithm displays strong gains against several SOTA baselines (up to 15%) for the LLP Binary Classification problem on various dataset types - tabular and Image. We achieve these improvements with minimal computational overhead above standard supervised learning due to Belief Propagation, for large bag sizes, even for a million samples.

Self-supervised representation learning solves auxiliary prediction tasks (known as pretext tasks) without requiring labeled data to learn useful semantic representations. These pretext tasks are created solely using the input features, such as predicting a missing image patch, recovering the color channels of an image from context, or predicting missing words in text; yet predicting this known information helps in learning representations effective for downstream prediction tasks. We posit a mechanism exploiting the statistical connections between certain {\em reconstruction-based} pretext tasks that guarantee to learn a good representation. Formally, we quantify how the approximate independence between the components of the pretext task (conditional on the label and latent variables) allows us to learn representations that can solve the downstream task by just training a linear layer on top of the learned representation. We prove the linear layer yields small approximation error even for complex ground truth function class and will drastically reduce labeled sample complexity. Next, we show a simple modification of our method leads to nonlinear CCA, analogous to the popular SimSiam algorithm, and show similar guarantees for nonlinear CCA.

Multi-label image classification is a prediction task that aims to identify more than one label from a given image. This paper considers the semantic consistency of the latent space between the visual patch and linguistic label domains and introduces the conditional transport (CT) theory to bridge the acknowledged gap. While recent cross-modal attention-based studies have attempted to align such two representations and achieved impressive performance, they required carefully-designed alignment modules and extra complex operations in the attention computation. We find that by formulating the multi-label classification as a CT problem, we can exploit the interactions between the image and label efficiently by minimizing the bidirectional CT cost. Specifically, after feeding the images and textual labels into the modality-specific encoders, we view each image as a mixture of patch embeddings and a mixture of label embeddings, which capture the local region features and the class prototypes, respectively. CT is then employed to learn and align those two semantic sets by defining the forward and backward navigators. Importantly, the defined navigators in CT distance model the similarities between patches and labels, which provides an interpretable tool to visualize the learned prototypes. Extensive experiments on three public image benchmarks show that the proposed model consistently outperforms the previous methods.

Masked language models (MLM) do not explicitly define a distribution over language, i.e., they are not language models per se. However, recent work has implicitly treated them as such for the purposes of generation and scoring. This paper studies methods for deriving explicit joint distributions from MLMs, focusing on distributions over two tokens, which makes it possible to calculate exact distributional properties. We find that an approach based on identifying joints whose conditionals are closest to those of the MLM works well and outperforms existing Markov random field-based approaches. We further find that this derived model's conditionals can even occasionally outperform the original MLM's conditionals.

We propose pix2pix3D, a 3D-aware conditional generative model for controllable photorealistic image synthesis. Given a 2D label map, such as a segmentation or edge map, our model learns to synthesize a corresponding image from different viewpoints. To enable explicit 3D user control, we extend conditional generative models with neural radiance fields. Given widely-available monocular images and label map pairs, our model learns to assign a label to every 3D point in addition to color and density, which enables it to render the image and pixel-aligned label map simultaneously. Finally, we build an interactive system that allows users to edit the label map from any viewpoint and generate outputs accordingly.

Many studies in vision tasks have aimed to create effective embedding spaces for single-label object prediction within an image. However, in reality, most objects possess multiple specific attributes, such as shape, color, and length, with each attribute composed of various classes. To apply models in real-world scenarios, it is essential to be able to distinguish between the granular components of an object. Conventional approaches to embedding multiple specific attributes into a single network often result in entanglement, where fine-grained features of each attribute cannot be identified separately. To address this problem, we propose a Conditional Cross-Attention Network that induces disentangled multi-space embeddings for various specific attributes with only a single backbone. Firstly, we employ a cross-attention mechanism to fuse and switch the information of conditions (specific attributes), and we demonstrate its effectiveness through a diverse visualization example. Secondly, we leverage the vision transformer for the first time to a fine-grained image retrieval task and present a simple yet effective framework compared to existing methods. Unlike previous studies where performance varied depending on the benchmark dataset, our proposed method achieved consistent state-of-the-art performance on the FashionAI, DARN, DeepFashion, and Zappos50K benchmark datasets.

Access to real-world medication prescriptions is essential for medical research and healthcare quality improvement. However, access to real medication prescriptions is often limited due to the sensitive nature of the information expressed. Additionally, manually labelling these instructions for training and fine-tuning Natural Language Processing (NLP) models can be tedious and expensive. We introduce a novel task-specific model architecture, Label-To-Text-Transformer (LT3), tailored to generate synthetic medication prescriptions based on provided labels, such as a vocabulary list of medications and their attributes. LT3 is trained on a set of around 2K lines of medication prescriptions extracted from the MIMIC-III database, allowing the model to produce valuable synthetic medication prescriptions. We evaluate LT3's performance by contrasting it with a state-of-the-art Pre-trained Language Model (PLM), T5, analysing the quality and diversity of generated texts. We deploy the generated synthetic data to train the SpacyNER model for the Named Entity Recognition (NER) task over the n2c2-2018 dataset. The experiments show that the model trained on synthetic data can achieve a 96-98\% F1 score at Label Recognition on Drug, Frequency, Route, Strength, and Form. LT3 codes and data will be shared at https://github.com/HECTA-UoM/Label-To-Text-Transformer

We investigate conditional adversarial networks as a general-purpose solution to image-to-image translation problems. These networks not only learn the mapping from input image to output image, but also learn a loss function to train this mapping. This makes it possible to apply the same generic approach to problems that traditionally would require very different loss formulations. We demonstrate that this approach is effective at synthesizing photos from label maps, reconstructing objects from edge maps, and colorizing images, among other tasks. Indeed, since the release of the pix2pix software associated with this paper, a large number of internet users (many of them artists) have posted their own experiments with our system, further demonstrating its wide applicability and ease of adoption without the need for parameter tweaking. As a community, we no longer hand-engineer our mapping functions, and this work suggests we can achieve reasonable results without hand-engineering our loss functions either.

Conditional image-to-video (cI2V) generation aims to synthesize a new plausible video starting from an image (e.g., a person's face) and a condition (e.g., an action class label like smile). The key challenge of the cI2V task lies in the simultaneous generation of realistic spatial appearance and temporal dynamics corresponding to the given image and condition. In this paper, we propose an approach for cI2V using novel latent flow diffusion models (LFDM) that synthesize an optical flow sequence in the latent space based on the given condition to warp the given image. Compared to previous direct-synthesis-based works, our proposed LFDM can better synthesize spatial details and temporal motion by fully utilizing the spatial content of the given image and warping it in the latent space according to the generated temporally-coherent flow. The training of LFDM consists of two separate stages: (1) an unsupervised learning stage to train a latent flow auto-encoder for spatial content generation, including a flow predictor to estimate latent flow between pairs of video frames, and (2) a conditional learning stage to train a 3D-UNet-based diffusion model (DM) for temporal latent flow generation. Unlike previous DMs operating in pixel space or latent feature space that couples spatial and temporal information, the DM in our LFDM only needs to learn a low-dimensional latent flow space for motion generation, thus being more computationally efficient. We conduct comprehensive experiments on multiple datasets, where LFDM consistently outperforms prior arts. Furthermore, we show that LFDM can be easily adapted to new domains by simply finetuning the image decoder. Our code is available at https://github.com/nihaomiao/CVPR23_LFDM.

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.

We present a new method for synthesizing high-resolution photo-realistic images from semantic label maps using conditional generative adversarial networks (conditional GANs). Conditional GANs have enabled a variety of applications, but the results are often limited to low-resolution and still far from realistic. In this work, we generate 2048x1024 visually appealing results with a novel adversarial loss, as well as new multi-scale generator and discriminator architectures. Furthermore, we extend our framework to interactive visual manipulation with two additional features. First, we incorporate object instance segmentation information, which enables object manipulations such as removing/adding objects and changing the object category. Second, we propose a method to generate diverse results given the same input, allowing users to edit the object appearance interactively. Human opinion studies demonstrate that our method significantly outperforms existing methods, advancing both the quality and the resolution of deep image synthesis and editing.

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.

We present a dynamic model in which the weights are conditioned on an input sample x and are learned to match those that would be obtained by finetuning a base model on x and its label y. This mapping between an input sample and network weights is approximated by a denoising diffusion model. The diffusion model we employ focuses on modifying a single layer of the base model and is conditioned on the input, activations, and output of this layer. Since the diffusion model is stochastic in nature, multiple initializations generate different networks, forming an ensemble, which leads to further improvements. Our experiments demonstrate the wide applicability of the method for image classification, 3D reconstruction, tabular data, speech separation, and natural language processing. Our code is available at https://github.com/ShaharLutatiPersonal/OCD

Often we wish to predict a large number of variables that depend on each other as well as on other observed variables. Structured prediction methods are essentially a combination of classification and graphical modeling, combining the ability of graphical models to compactly model multivariate data with the ability of classification methods to perform prediction using large sets of input features. This tutorial describes conditional random fields, a popular probabilistic method for structured prediction. CRFs have seen wide application in natural language processing, computer vision, and bioinformatics. We describe methods for inference and parameter estimation for CRFs, including practical issues for implementing large scale CRFs. We do not assume previous knowledge of graphical modeling, so this tutorial is intended to be useful to practitioners in a wide variety of fields.

To measure the difference between two probability distributions, referred to as the source and target, respectively, we exploit both the chain rule and Bayes' theorem to construct conditional transport (CT), which is constituted by both a forward component and a backward one. The forward CT is the expected cost of moving a source data point to a target one, with their joint distribution defined by the product of the source probability density function (PDF) and a source-dependent conditional distribution, which is related to the target PDF via Bayes' theorem. The backward CT is defined by reversing the direction. The CT cost can be approximated by replacing the source and target PDFs with their discrete empirical distributions supported on mini-batches, making it amenable to implicit distributions and stochastic gradient descent-based optimization. When applied to train a generative model, CT is shown to strike a good balance between mode-covering and mode-seeking behaviors and strongly resist mode collapse. On a wide variety of benchmark datasets for generative modeling, substituting the default statistical distance of an existing generative adversarial network with CT is shown to consistently improve the performance. PyTorch code is provided.

Semantic image synthesis, i.e., generating images from user-provided semantic label maps, is an important conditional image generation task as it allows to control both the content as well as the spatial layout of generated images. Although diffusion models have pushed the state of the art in generative image modeling, the iterative nature of their inference process makes them computationally demanding. Other approaches such as GANs are more efficient as they only need a single feed-forward pass for generation, but the image quality tends to suffer on large and diverse datasets. In this work, we propose a new class of GAN discriminators for semantic image synthesis that generates highly realistic images by exploiting feature backbone networks pre-trained for tasks such as image classification. We also introduce a new generator architecture with better context modeling and using cross-attention to inject noise into latent variables, leading to more diverse generated images. Our model, which we dub DP-SIMS, achieves state-of-the-art results in terms of image quality and consistency with the input label maps on ADE-20K, COCO-Stuff, and Cityscapes, surpassing recent diffusion models while requiring two orders of magnitude less compute for inference.

Flow matching is a recent framework to train generative models that exhibits impressive empirical performance while being relatively easier to train compared with diffusion-based models. Despite its advantageous properties, prior methods still face the challenges of expensive computing and a large number of function evaluations of off-the-shelf solvers in the pixel space. Furthermore, although latent-based generative methods have shown great success in recent years, this particular model type remains underexplored in this area. In this work, we propose to apply flow matching in the latent spaces of pretrained autoencoders, which offers improved computational efficiency and scalability for high-resolution image synthesis. This enables flow-matching training on constrained computational resources while maintaining their quality and flexibility. Additionally, our work stands as a pioneering contribution in the integration of various conditions into flow matching for conditional generation tasks, including label-conditioned image generation, image inpainting, and semantic-to-image generation. Through extensive experiments, our approach demonstrates its effectiveness in both quantitative and qualitative results on various datasets, such as CelebA-HQ, FFHQ, LSUN Church & Bedroom, and ImageNet. We also provide a theoretical control of the Wasserstein-2 distance between the reconstructed latent flow distribution and true data distribution, showing it is upper-bounded by the latent flow matching objective. Our code will be available at https://github.com/VinAIResearch/LFM.git.

Existing methods, such as concept bottleneck models (CBMs), have been successful in providing concept-based interpretations for black-box deep learning models. They typically work by predicting concepts given the input and then predicting the final class label given the predicted concepts. However, (1) they often fail to capture the high-order, nonlinear interaction between concepts, e.g., correcting a predicted concept (e.g., "yellow breast") does not help correct highly correlated concepts (e.g., "yellow belly"), leading to suboptimal final accuracy; (2) they cannot naturally quantify the complex conditional dependencies between different concepts and class labels (e.g., for an image with the class label "Kentucky Warbler" and a concept "black bill", what is the probability that the model correctly predicts another concept "black crown"), therefore failing to provide deeper insight into how a black-box model works. In response to these limitations, we propose Energy-based Concept Bottleneck Models (ECBMs). Our ECBMs use a set of neural networks to define the joint energy of candidate (input, concept, class) tuples. With such a unified interface, prediction, concept correction, and conditional dependency quantification are then represented as conditional probabilities, which are generated by composing different energy functions. Our ECBMs address both limitations of existing CBMs, providing higher accuracy and richer concept interpretations. Empirical results show that our approach outperforms the state-of-the-art on real-world datasets.

Given the clinical notes written in electronic health records (EHRs), it is challenging to predict the diagnostic codes which is formulated as a multi-label classification task. The large set of labels, the hierarchical dependency, and the imbalanced data make this prediction task extremely hard. Most existing work built a binary prediction for each label independently, ignoring the dependencies between labels. To address this problem, we propose a two-stage framework to improve automatic ICD coding by capturing the label correlation. Specifically, we train a label set distribution estimator to rescore the probability of each label set candidate generated by a base predictor. This paper is the first attempt at learning the label set distribution as a reranking module for medical code prediction. In the experiments, our proposed framework is able to improve upon best-performing predictors on the benchmark MIMIC datasets. The source code of this project is available at https://github.com/MiuLab/ICD-Correlation.

Supervised learning usually requires a large amount of labelled data. However, attaining ground-truth labels is costly for many tasks. Alternatively, weakly supervised methods learn with cheap weak signals that only approximately label some data. Many existing weakly supervised learning methods learn a deterministic function that estimates labels given the input data and weak signals. In this paper, we develop label learning flows (LLF), a general framework for weakly supervised learning problems. Our method is a generative model based on normalizing flows. The main idea of LLF is to optimize the conditional likelihoods of all possible labelings of the data within a constrained space defined by weak signals. We develop a training method for LLF that trains the conditional flow inversely and avoids estimating the labels. Once a model is trained, we can make predictions with a sampling algorithm. We apply LLF to three weakly supervised learning problems. Experiment results show that our method outperforms many baselines we compare against.

Conditional diffusion models are powerful generative models that can leverage various types of conditional information, such as class labels, segmentation masks, or text captions. However, in many real-world scenarios, conditional information may be noisy or unreliable due to human annotation errors or weak alignment. In this paper, we propose the Coherence-Aware Diffusion (CAD), a novel method that integrates coherence in conditional information into diffusion models, allowing them to learn from noisy annotations without discarding data. We assume that each data point has an associated coherence score that reflects the quality of the conditional information. We then condition the diffusion model on both the conditional information and the coherence score. In this way, the model learns to ignore or discount the conditioning when the coherence is low. We show that CAD is theoretically sound and empirically effective on various conditional generation tasks. Moreover, we show that leveraging coherence generates realistic and diverse samples that respect conditional information better than models trained on cleaned datasets where samples with low coherence have been discarded.

Conditional contrastive learning frameworks consider the conditional sampling procedure that constructs positive or negative data pairs conditioned on specific variables. Fair contrastive learning constructs negative pairs, for example, from the same gender (conditioning on sensitive information), which in turn reduces undesirable information from the learned representations; weakly supervised contrastive learning constructs positive pairs with similar annotative attributes (conditioning on auxiliary information), which in turn are incorporated into the representations. Although conditional contrastive learning enables many applications, the conditional sampling procedure can be challenging if we cannot obtain sufficient data pairs for some values of the conditioning variable. This paper presents Conditional Contrastive Learning with Kernel (CCL-K) that converts existing conditional contrastive objectives into alternative forms that mitigate the insufficient data problem. Instead of sampling data according to the value of the conditioning variable, CCL-K uses the Kernel Conditional Embedding Operator that samples data from all available data and assigns weights to each sampled data given the kernel similarity between the values of the conditioning variable. We conduct experiments using weakly supervised, fair, and hard negatives contrastive learning, showing CCL-K outperforms state-of-the-art baselines.

Due to the difficulty of collecting exhaustive multi-label annotations, multi-label datasets often contain partial labels. We consider an extreme of this weakly supervised learning problem, called single positive multi-label learning (SPML), where each multi-label training image has only one positive label. Traditionally, all unannotated labels are assumed as negative labels in SPML, which introduces false negative labels and causes model training to be dominated by assumed negative labels. In this work, we choose to treat all unannotated labels from an alternative perspective, i.e. acknowledging they are unknown. Hence, we propose entropy-maximization (EM) loss to attain a special gradient regime for providing proper supervision signals. Moreover, we propose asymmetric pseudo-labeling (APL), which adopts asymmetric-tolerance strategies and a self-paced procedure, to cooperate with EM loss and then provide more precise supervision. Experiments show that our method significantly improves performance and achieves state-of-the-art results on all four benchmarks. Code is available at https://github.com/Correr-Zhou/SPML-AckTheUnknown.

We study the task of agnostically learning halfspaces under the Gaussian distribution. Specifically, given labeled examples (x,y) from an unknown distribution on R^n times { pm 1}, whose marginal distribution on x is the standard Gaussian and the labels y can be arbitrary, the goal is to output a hypothesis with 0-1 loss OPT+epsilon, where OPT is the 0-1 loss of the best-fitting halfspace. We prove a near-optimal computational hardness result for this task, under the widely believed sub-exponential time hardness of the Learning with Errors (LWE) problem. Prior hardness results are either qualitatively suboptimal or apply to restricted families of algorithms. Our techniques extend to yield near-optimal lower bounds for related problems, including ReLU regression.

The assumption that response and predictor belong to the same statistical unit may be violated in practice. Unbiased estimation and recovery of true label ordering based on unlabeled data are challenging tasks and have attracted increasing attentions in the recent literature. In this paper, we present a relatively complete analysis of label permutation problem for the generalized linear model with multivariate responses. The theory is established under different scenarios, with knowledge of true parameters, with partial knowledge of underlying label permutation matrix and without any knowledge. Our results remove the stringent conditions required by the current literature and are further extended to the missing observation setting which has never been considered in the field of label permutation problem. On computational side, we propose two methods, "maximum likelihood estimation" algorithm and "two-step estimation" algorithm, to accommodate for different settings. When the proportion of permuted labels is moderate, both methods work effectively. Multiple numerical experiments are provided and corroborate our theoretical findings.

We introduce a simple but effective unsupervised method for generating realistic and diverse images. We train a class-conditional GAN model without using manually annotated class labels. Instead, our model is conditional on labels automatically derived from clustering in the discriminator's feature space. Our clustering step automatically discovers diverse modes, and explicitly requires the generator to cover them. Experiments on standard mode collapse benchmarks show that our method outperforms several competing methods when addressing mode collapse. Our method also performs well on large-scale datasets such as ImageNet and Places365, improving both image diversity and standard quality metrics, compared to previous methods.

Conditional generative adversarial networks (cGANs) have shown superior results in class-conditional generation tasks. To simultaneously control multiple conditions, cGANs require multi-label training datasets, where multiple labels can be assigned to each data instance. Nevertheless, the tremendous annotation cost limits the accessibility of multi-label datasets in real-world scenarios. Therefore, in this study we explore the practical setting called the single positive setting, where each data instance is annotated by only one positive label with no explicit negative labels. To generate multi-label data in the single positive setting, we propose a novel sampling approach called single-to-multi-label (S2M) sampling, based on the Markov chain Monte Carlo method. As a widely applicable "add-on" method, our proposed S2M sampling method enables existing unconditional and conditional GANs to draw high-quality multi-label data with a minimal annotation cost. Extensive experiments on real image datasets verify the effectiveness and correctness of our method, even when compared to a model trained with fully annotated datasets.

We study the class of location-scale or heteroscedastic noise models (LSNMs), in which the effect Y can be written as a function of the cause X and a noise source N independent of X, which may be scaled by a positive function g over the cause, i.e., Y = f(X) + g(X)N. Despite the generality of the model class, we show the causal direction is identifiable up to some pathological cases. To empirically validate these theoretical findings, we propose two estimators for LSNMs: an estimator based on (non-linear) feature maps, and one based on neural networks. Both model the conditional distribution of Y given X as a Gaussian parameterized by its natural parameters. When the feature maps are correctly specified, we prove that our estimator is jointly concave, and a consistent estimator for the cause-effect identification task. Although the the neural network does not inherit those guarantees, it can fit functions of arbitrary complexity, and reaches state-of-the-art performance across benchmarks.

Aiming to generalize the label knowledge from a source domain with continuous outputs to an unlabeled target domain, Domain Adaptation Regression (DAR) is developed for complex practical learning problems. However, due to the continuity problem in regression, existing conditional distribution alignment theory and methods with discrete prior, which are proven to be effective in classification settings, are no longer applicable. In this work, focusing on the feasibility problems in DAR, we establish the sufficiency theory for the regression model, which shows the generalization error can be sufficiently dominated by the cross-domain conditional discrepancy. Further, to characterize conditional discrepancy with continuous conditioning variable, a novel Conditional Operator Discrepancy (COD) is proposed, which admits the metric property on conditional distributions via the kernel embedding theory. Finally, to minimize the discrepancy, a COD-based conditional invariant representation learning model is proposed, and the reformulation is derived to show that reasonable modifications on moment statistics can further improve the discriminability of the adaptation model. Extensive experiments on standard DAR datasets verify the validity of theoretical results and the superiority over SOTA DAR methods.

Language models (LMs) are pretrained to imitate internet text, including content that would violate human preferences if generated by an LM: falsehoods, offensive comments, personally identifiable information, low-quality or buggy code, and more. Here, we explore alternative objectives for pretraining LMs in a way that also guides them to generate text aligned with human preferences. We benchmark five objectives for pretraining with human feedback across three tasks and study how they affect the trade-off between alignment and capabilities of pretrained LMs. We find a Pareto-optimal and simple approach among those we explored: conditional training, or learning distribution over tokens conditional on their human preference scores given by a reward model. Conditional training reduces the rate of undesirable content by up to an order of magnitude, both when generating without a prompt and with an adversarially-chosen prompt. Moreover, conditional training maintains the downstream task performance of standard LM pretraining, both before and after task-specific finetuning. Pretraining with human feedback results in much better preference satisfaction than standard LM pretraining followed by finetuning with feedback, i.e., learning and then unlearning undesirable behavior. Our results suggest that we should move beyond imitation learning when pretraining LMs and incorporate human preferences from the start of training.

The presence of distribution shifts poses a significant challenge for deploying modern machine learning models in real-world applications. This work focuses on the target shift problem in a regression setting (Zhang et al., 2013; Nguyen et al., 2016). More specifically, the target variable y (also known as the response variable), which is continuous, has different marginal distributions in the training source and testing domain, while the conditional distribution of features x given y remains the same. While most literature focuses on classification tasks with finite target space, the regression problem has an infinite dimensional target space, which makes many of the existing methods inapplicable. In this work, we show that the continuous target shift problem can be addressed by estimating the importance weight function from an ill-posed integral equation. We propose a nonparametric regularized approach named ReTaSA to solve the ill-posed integral equation and provide theoretical justification for the estimated importance weight function. The effectiveness of the proposed method has been demonstrated with extensive numerical studies on synthetic and real-world datasets.

Many existing FL methods assume clients with fully-labeled data, while in realistic settings, clients have limited labels due to the expensive and laborious process of labeling. Limited labeled local data of the clients often leads to their local model having poor generalization abilities to their larger unlabeled local data, such as having class-distribution mismatch with the unlabeled data. As a result, clients may instead look to benefit from the global model trained across clients to leverage their unlabeled data, but this also becomes difficult due to data heterogeneity across clients. In our work, we propose FedLabel where clients selectively choose the local or global model to pseudo-label their unlabeled data depending on which is more of an expert of the data. We further utilize both the local and global models' knowledge via global-local consistency regularization which minimizes the divergence between the two models' outputs when they have identical pseudo-labels for the unlabeled data. Unlike other semi-supervised FL baselines, our method does not require additional experts other than the local or global model, nor require additional parameters to be communicated. We also do not assume any server-labeled data or fully labeled clients. For both cross-device and cross-silo settings, we show that FedLabel outperforms other semi-supervised FL baselines by 8-24%, and even outperforms standard fully supervised FL baselines (100% labeled data) with only 5-20% of labeled data.

Generative Adversarial Nets [8] were recently introduced as a novel way to train generative models. In this work we introduce the conditional version of generative adversarial nets, which can be constructed by simply feeding the data, y, we wish to condition on to both the generator and discriminator. We show that this model can generate MNIST digits conditioned on class labels. We also illustrate how this model could be used to learn a multi-modal model, and provide preliminary examples of an application to image tagging in which we demonstrate how this approach can generate descriptive tags which are not part of training labels.

Prediction sets capture uncertainty by predicting sets of labels rather than individual labels, enabling downstream decisions to conservatively account for all plausible outcomes. Conformal inference algorithms construct prediction sets guaranteed to contain the true label with high probability. These guarantees fail to hold in the face of distribution shift, which is precisely when reliable uncertainty quantification can be most useful. We propose a novel algorithm for constructing prediction sets with PAC guarantees in the label shift setting. This method estimates the predicted probabilities of the classes in a target domain, as well as the confusion matrix, then propagates uncertainty in these estimates through a Gaussian elimination algorithm to compute confidence intervals for importance weights. Finally, it uses these intervals to construct prediction sets. We evaluate our approach on five datasets: the CIFAR-10, ChestX-Ray and Entity-13 image datasets, the tabular CDC Heart dataset, and the AGNews text dataset. Our algorithm satisfies the PAC guarantee while producing smaller, more informative, prediction sets compared to several baselines.

Most positive and unlabeled data is subject to selection biases. The labeled examples can, for example, be selected from the positive set because they are easier to obtain or more obviously positive. This paper investigates how learning can be ena BHbled in this setting. We propose and theoretically analyze an empirical-risk-based method for incorporating the labeling mechanism. Additionally, we investigate under which assumptions learning is possible when the labeling mechanism is not fully understood and propose a practical method to enable this. Our empirical analysis supports the theoretical results and shows that taking into account the possibility of a selection bias, even when the labeling mechanism is unknown, improves the trained classifiers.

Due to the expensive costs of collecting labels in multi-label classification datasets, partially annotated multi-label classification has become an emerging field in computer vision. One baseline approach to this task is to assume unobserved labels as negative labels, but this assumption induces label noise as a form of false negative. To understand the negative impact caused by false negative labels, we study how these labels affect the model's explanation. We observe that the explanation of two models, trained with full and partial labels each, highlights similar regions but with different scaling, where the latter tends to have lower attribution scores. Based on these findings, we propose to boost the attribution scores of the model trained with partial labels to make its explanation resemble that of the model trained with full labels. Even with the conceptually simple approach, the multi-label classification performance improves by a large margin in three different datasets on a single positive label setting and one on a large-scale partial label setting. Code is available at https://github.com/youngwk/BridgeGapExplanationPAMC.

Conditional visual generation has witnessed remarkable progress with the advent of diffusion models (DMs), especially in tasks like control-to-image generation. However, challenges such as expensive computational cost, high inference latency, and difficulties of integration with large language models (LLMs) have necessitated exploring alternatives to DMs. This paper introduces ControlVAR, a novel framework that explores pixel-level controls in visual autoregressive (VAR) modeling for flexible and efficient conditional generation. In contrast to traditional conditional models that learn the conditional distribution, ControlVAR jointly models the distribution of image and pixel-level conditions during training and imposes conditional controls during testing. To enhance the joint modeling, we adopt the next-scale AR prediction paradigm and unify control and image representations. A teacher-forcing guidance strategy is proposed to further facilitate controllable generation with joint modeling. Extensive experiments demonstrate the superior efficacy and flexibility of ControlVAR across various conditional generation tasks against popular conditional DMs, \eg, ControlNet and T2I-Adaptor. Code: https://github.com/lxa9867/ControlVAR.

We study the design of loss functions for click-through rates (CTR) to optimize (social) welfare in advertising auctions. Existing works either only focus on CTR predictions without consideration of business objectives (e.g., welfare) in auctions or assume that the distribution over the participants' expected cost-per-impression (eCPM) is known a priori, then use various additional assumptions on the parametric form of the distribution to derive loss functions for predicting CTRs. In this work, we bring back the welfare objectives of ad auctions into CTR predictions and propose a novel weighted rankloss to train the CTR model. Compared to existing literature, our approach provides a provable guarantee on welfare but without assumptions on the eCPMs' distribution while also avoiding the intractability of naively applying existing learning-to-rank methods. Further, we propose a theoretically justifiable technique for calibrating the losses using labels generated from a teacher network, only assuming that the teacher network has bounded ell_2 generalization error. Finally, we demonstrate the advantages of the proposed loss on synthetic and real-world data.

Conditional diffusion models have shown remarkable performance in various generative tasks, but training them requires large-scale datasets that often contain noise in conditional inputs, a.k.a. noisy labels. This noise leads to condition mismatch and quality degradation of generated data. This paper proposes Transition-aware weighted Denoising Score Matching (TDSM) for training conditional diffusion models with noisy labels, which is the first study in the line of diffusion models. The TDSM objective contains a weighted sum of score networks, incorporating instance-wise and time-dependent label transition probabilities. We introduce a transition-aware weight estimator, which leverages a time-dependent noisy-label classifier distinctively customized to the diffusion process. Through experiments across various datasets and noisy label settings, TDSM improves the quality of generated samples aligned with given conditions. Furthermore, our method improves generation performance even on prevalent benchmark datasets, which implies the potential noisy labels and their risk of generative model learning. Finally, we show the improved performance of TDSM on top of conventional noisy label corrections, which empirically proving its contribution as a part of label-noise robust generative models. Our code is available at: https://github.com/byeonghu-na/tdsm.

Temporal Point Processes (TPP) are probabilistic generative frameworks. They model discrete event sequences localized in continuous time. Generally, real-life events reveal descriptive information, known as marks. Marked TPPs model time and marks of the event together for practical relevance. Conditioned on past events, marked TPPs aim to learn the joint distribution of the time and the mark of the next event. For simplicity, conditionally independent TPP models assume time and marks are independent given event history. They factorize the conditional joint distribution of time and mark into the product of individual conditional distributions. This structural limitation in the design of TPP models hurt the predictive performance on entangled time and mark interactions. In this work, we model the conditional inter-dependence of time and mark to overcome the limitations of conditionally independent models. We construct a multivariate TPP conditioning the time distribution on the current event mark in addition to past events. Besides the conventional intensity-based models for conditional joint distribution, we also draw on flexible intensity-free TPP models from the literature. The proposed TPP models outperform conditionally independent and dependent models in standard prediction tasks. Our experimentation on various datasets with multiple evaluation metrics highlights the merit of the proposed approach.

Partial label learning (PLL) aims to train multiclass classifiers from the examples each annotated with a set of candidate labels where a fixed but unknown candidate label is correct. In the last few years, the instance-independent generation process of candidate labels has been extensively studied, on the basis of which many theoretical advances have been made in PLL. Nevertheless, the candidate labels are always instance-dependent in practice and there is no theoretical guarantee that the model trained on the instance-dependent PLL examples can converge to an ideal one. In this paper, a theoretically grounded and practically effective approach named POP, i.e. PrOgressive Purification for instance-dependent partial label learning, is proposed. Specifically, POP updates the learning model and purifies each candidate label set progressively in every epoch. Theoretically, we prove that POP enlarges the region appropriately fast where the model is reliable, and eventually approximates the Bayes optimal classifier with mild assumptions. Technically, POP is flexible with arbitrary PLL losses and could improve the performance of the previous PLL losses in the instance-dependent case. Experiments on the benchmark datasets and the real-world datasets validate the effectiveness of the proposed method.

Neural Posterior Estimation methods for simulation-based inference can be ill-suited for dealing with posterior distributions obtained by conditioning on multiple observations, as they tend to require a large number of simulator calls to learn accurate approximations. In contrast, Neural Likelihood Estimation methods can handle multiple observations at inference time after learning from individual observations, but they rely on standard inference methods, such as MCMC or variational inference, which come with certain performance drawbacks. We introduce a new method based on conditional score modeling that enjoys the benefits of both approaches. We model the scores of the (diffused) posterior distributions induced by individual observations, and introduce a way of combining the learned scores to approximately sample from the target posterior distribution. Our approach is sample-efficient, can naturally aggregate multiple observations at inference time, and avoids the drawbacks of standard inference methods.

The growing interest in machine learning problems over graphs with additional node information such as texts, images, or labels has popularized methods that require the costly operation of processing the entire graph. Yet, little effort has been made to the development of fast local methods (i.e. without accessing the entire graph) that extract useful information from such data. To that end, we propose a study of local graph clustering using noisy node labels as a proxy for additional node information. In this setting, nodes receive initial binary labels based on cluster affiliation: 1 if they belong to the target cluster and 0 otherwise. Subsequently, a fraction of these labels is flipped. We investigate the benefits of incorporating noisy labels for local graph clustering. By constructing a weighted graph with such labels, we study the performance of graph diffusion-based local clustering method on both the original and the weighted graphs. From a theoretical perspective, we consider recovering an unknown target cluster with a single seed node in a random graph with independent noisy node labels. We provide sufficient conditions on the label noise under which, with high probability, using diffusion in the weighted graph yields a more accurate recovery of the target cluster. This approach proves more effective than using the given labels alone or using diffusion in the label-free original graph. Empirically, we show that reliable node labels can be obtained with just a few samples from an attributed graph. Moreover, utilizing these labels via diffusion in the weighted graph leads to significantly better local clustering performance across several real-world datasets, improving F1 scores by up to 13%.

Discrete diffusion models with absorbing processes have shown promise in language modeling. The key quantities to be estimated are the ratios between the marginal probabilities of two transitive states at all timesteps, called the concrete score. In this paper, we reveal that the concrete score in absorbing diffusion can be expressed as conditional probabilities of clean data, multiplied by a time-dependent scalar in an analytic form. Motivated by this finding, we propose reparameterized absorbing discrete diffusion (RADD), a dedicated diffusion model without time-condition that characterizes the time-independent conditional probabilities. Besides its simplicity, RADD can reduce the number of function evaluations (NFEs) by caching the output of the time-independent network when the noisy sample remains unchanged in a sampling interval. Empirically, RADD is up to 3.5 times faster while achieving similar performance with the strongest baseline. Built upon the new perspective of conditional distributions, we further unify absorbing discrete diffusion and any-order autoregressive models (AO-ARMs), showing that the upper bound on the negative log-likelihood for the diffusion model can be interpreted as an expected negative log-likelihood for AO-ARMs. Further, our RADD models achieve SOTA performance among diffusion models on 5 zero-shot language modeling benchmarks (measured by perplexity) at the GPT-2 scale. Our code is available at https://github.com/ML-GSAI/RADD.

A major challenge in structured prediction is to represent the interdependencies within output structures. When outputs are structured as sequences, linear-chain conditional random fields (CRFs) are a widely used model class which can learn local dependencies in the output. However, the CRF's Markov assumption makes it impossible for CRFs to represent distributions with nonlocal dependencies, and standard CRFs are unable to respect nonlocal constraints of the data (such as global arity constraints on output labels). We present a generalization of CRFs that can enforce a broad class of constraints, including nonlocal ones, by specifying the space of possible output structures as a regular language L. The resulting regular-constrained CRF (RegCCRF) has the same formal properties as a standard CRF, but assigns zero probability to all label sequences not in L. Notably, RegCCRFs can incorporate their constraints during training, while related models only enforce constraints during decoding. We prove that constrained training is never worse than constrained decoding, and show empirically that it can be substantially better in practice. Additionally, we demonstrate a practical benefit on downstream tasks by incorporating a RegCCRF into a deep neural model for semantic role labeling, exceeding state-of-the-art results on a standard dataset.

Imbalanced distributions are ubiquitous in real-world data. They create constraints on Deep Neural Networks to represent the minority labels and avoid bias towards majority labels. The extensive body of imbalanced approaches address categorical label spaces but fail to effectively extend to regression problems where the label space is continuous. Local and global correlations among continuous labels provide valuable insights towards effectively modelling relationships in feature space. In this work, we propose ConR, a contrastive regularizer that models global and local label similarities in feature space and prevents the features of minority samples from being collapsed into their majority neighbours. ConR discerns the disagreements between the label space and feature space and imposes a penalty on these disagreements. ConR addresses the continuous nature of label space with two main strategies in a contrastive manner: incorrect proximities are penalized proportionate to the label similarities and the correct ones are encouraged to model local similarities. ConR consolidates essential considerations into a generic, easy-to-integrate, and efficient method that effectively addresses deep imbalanced regression. Moreover, ConR is orthogonal to existing approaches and smoothly extends to uni- and multi-dimensional label spaces. Our comprehensive experiments show that ConR significantly boosts the performance of all the state-of-the-art methods on four large-scale deep imbalanced regression benchmarks. Our code is publicly available in https://github.com/BorealisAI/ConR.

We present Natural Gradient Boosting (NGBoost), an algorithm for generic probabilistic prediction via gradient boosting. Typical regression models return a point estimate, conditional on covariates, but probabilistic regression models output a full probability distribution over the outcome space, conditional on the covariates. This allows for predictive uncertainty estimation -- crucial in applications like healthcare and weather forecasting. NGBoost generalizes gradient boosting to probabilistic regression by treating the parameters of the conditional distribution as targets for a multiparameter boosting algorithm. Furthermore, we show how the Natural Gradient is required to correct the training dynamics of our multiparameter boosting approach. NGBoost can be used with any base learner, any family of distributions with continuous parameters, and any scoring rule. NGBoost matches or exceeds the performance of existing methods for probabilistic prediction while offering additional benefits in flexibility, scalability, and usability. An open-source implementation is available at github.com/stanfordmlgroup/ngboost.

In node classification using graph neural networks (GNNs), a typical model generates logits for different class labels at each node. A softmax layer often outputs a label prediction based on the largest logit. We demonstrate that it is possible to infer hidden graph structural information from the dataset using these logits. We introduce the key notion of label non-uniformity, which is derived from the Wasserstein distance between the softmax distribution of the logits and the uniform distribution. We demonstrate that nodes with small label non-uniformity are harder to classify correctly. We theoretically analyze how the label non-uniformity varies across the graph, which provides insights into boosting the model performance: increasing training samples with high non-uniformity or dropping edges to reduce the maximal cut size of the node set of small non-uniformity. These mechanisms can be easily added to a base GNN model. Experimental results demonstrate that our approach improves the performance of many benchmark base models.

The capability of the traditional semi-supervised learning (SSL) methods is far from real-world application due to severely biased pseudo-labels caused by (1) class imbalance and (2) class distribution mismatch between labeled and unlabeled data. This paper addresses such a relatively under-explored problem. First, we propose a general pseudo-labeling framework that class-adaptively blends the semantic pseudo-label from a similarity-based classifier to the linear one from the linear classifier, after making the observation that both types of pseudo-labels have complementary properties in terms of bias. We further introduce a novel semantic alignment loss to establish balanced feature representation to reduce the biased predictions from the classifier. We term the whole framework as Distribution-Aware Semantics-Oriented (DASO) Pseudo-label. We conduct extensive experiments in a wide range of imbalanced benchmarks: CIFAR10/100-LT, STL10-LT, and large-scale long-tailed Semi-Aves with open-set class, and demonstrate that, the proposed DASO framework reliably improves SSL learners with unlabeled data especially when both (1) class imbalance and (2) distribution mismatch dominate.

In recent years, diffusion models have gained popularity for their ability to generate higher-quality images in comparison to GAN models. However, like any other large generative models, these models require a huge amount of data, computational resources, and meticulous tuning for successful training. This poses a significant challenge, rendering it infeasible for most individuals. As a result, the research community has devised methods to leverage pre-trained unconditional diffusion models with additional guidance for the purpose of conditional image generative. These methods enable conditional image generations on diverse inputs and, most importantly, circumvent the need for training the diffusion model. In this paper, our objective is to reduce the time-required and computational overhead introduced by the addition of guidance in diffusion models -- while maintaining comparable image quality. We propose a set of methods based on our empirical analysis, demonstrating a reduction in computation time by approximately threefold.

Text-to-image diffusion models have achieved tremendous success in the field of controllable image generation, while also coming along with issues of privacy leakage and data copyrights. Membership inference arises in these contexts as a potential auditing method for detecting unauthorized data usage. While some efforts have been made on diffusion models, they are not applicable to text-to-image diffusion models due to the high computation overhead and enhanced generalization capabilities. In this paper, we first identify a conditional overfitting phenomenon in text-to-image diffusion models, indicating that these models tend to overfit the conditional distribution of images given the corresponding text rather than the marginal distribution of images only. Based on this observation, we derive an analytical indicator, namely Conditional Likelihood Discrepancy (CLiD), to perform membership inference, which reduces the stochasticity in estimating memorization of individual samples. Experimental results demonstrate that our method significantly outperforms previous methods across various data distributions and dataset scales. Additionally, our method shows superior resistance to overfitting mitigation strategies, such as early stopping and data augmentation.

Guidance in conditional diffusion generation is of great importance for sample quality and controllability. However, existing guidance schemes are to be desired. On one hand, mainstream methods such as classifier guidance and classifier-free guidance both require extra training with labeled data, which is time-consuming and unable to adapt to new conditions. On the other hand, training-free methods such as universal guidance, though more flexible, have yet to demonstrate comparable performance. In this work, through a comprehensive investigation into the design space, we show that it is possible to achieve significant performance improvements over existing guidance schemes by leveraging off-the-shelf classifiers in a training-free fashion, enjoying the best of both worlds. Employing calibration as a general guideline, we propose several pre-conditioning techniques to better exploit pretrained off-the-shelf classifiers for guiding diffusion generation. Extensive experiments on ImageNet validate our proposed method, showing that state-of-the-art diffusion models (DDPM, EDM, DiT) can be further improved (up to 20%) using off-the-shelf classifiers with barely any extra computational cost. With the proliferation of publicly available pretrained classifiers, our proposed approach has great potential and can be readily scaled up to text-to-image generation tasks. The code is available at https://github.com/AlexMaOLS/EluCD/tree/main.

Diffusion models, a powerful and universal generative AI technology, have achieved tremendous success in computer vision, audio, reinforcement learning, and computational biology. In these applications, diffusion models provide flexible high-dimensional data modeling, and act as a sampler for generating new samples under active guidance towards task-desired properties. Despite the significant empirical success, theory of diffusion models is very limited, potentially slowing down principled methodological innovations for further harnessing and improving diffusion models. In this paper, we review emerging applications of diffusion models, understanding their sample generation under various controls. Next, we overview the existing theories of diffusion models, covering their statistical properties and sampling capabilities. We adopt a progressive routine, beginning with unconditional diffusion models and connecting to conditional counterparts. Further, we review a new avenue in high-dimensional structured optimization through conditional diffusion models, where searching for solutions is reformulated as a conditional sampling problem and solved by diffusion models. Lastly, we discuss future directions about diffusion models. The purpose of this paper is to provide a well-rounded theoretical exposure for stimulating forward-looking theories and methods of diffusion models.

Conditional neural text generation models generate high-quality outputs, but often concentrate around a mode when what we really want is a diverse set of options. We present a search algorithm to construct lattices encoding a massive number of generation options. First, we restructure decoding as a best-first search, which explores the space differently than beam search and improves efficiency by avoiding pruning paths. Second, we revisit the idea of hypothesis recombination: we can identify pairs of similar generation candidates during search and merge them as an approximation. On both summarization and machine translation, we show that our algorithm encodes thousands of diverse options that remain grammatical and high-quality into one lattice. This algorithm provides a foundation for building downstream generation applications on top of massive-scale diverse outputs.

In this paper, we propose the first framework that enables solving graph learning tasks of all levels (node, edge and graph) and all types (generation, regression and classification) with one model. We first propose Latent Graph Diffusion (LGD), a generative model that can generate node, edge, and graph-level features of all categories simultaneously. We achieve this goal by embedding the graph structures and features into a latent space leveraging a powerful encoder which can also be decoded, then training a diffusion model in the latent space. LGD is also capable of conditional generation through a specifically designed cross-attention mechanism. Then we formulate prediction tasks including regression and classification as (conditional) generation, which enables our LGD to solve tasks of all levels and all types with provable guarantees. We verify the effectiveness of our framework with extensive experiments, where our models achieve state-of-the-art or highly competitive results across generation and regression tasks.

Language models (LM) are capable of remarkably complex linguistic tasks; however, numerical reasoning is an area in which they frequently struggle. An important but rarely evaluated form of reasoning is understanding probability distributions. In this paper, we focus on evaluating the probabilistic reasoning capabilities of LMs using idealized and real-world statistical distributions. We perform a systematic evaluation of state-of-the-art LMs on three tasks: estimating percentiles, drawing samples, and calculating probabilities. We evaluate three ways to provide context to LMs 1) anchoring examples from within a distribution or family of distributions, 2) real-world context, 3) summary statistics on which to base a Normal approximation. Models can make inferences about distributions, and can be further aided by the incorporation of real-world context, example shots and simplified assumptions, even if these assumptions are incorrect or misspecified. To conduct this work, we developed a comprehensive benchmark distribution dataset with associated question-answer pairs that we will release publicly.

Real-world large-scale datasets are both noisily labeled and class-imbalanced. The issues seriously hurt the generalization of trained models. It is hence significant to address the simultaneous incorrect labeling and class-imbalance, i.e., the problem of learning with noisy labels on long-tailed data. Previous works develop several methods for the problem. However, they always rely on strong assumptions that are invalid or hard to be checked in practice. In this paper, to handle the problem and address the limitations of prior works, we propose a representation calibration method RCAL. Specifically, RCAL works with the representations extracted by unsupervised contrastive learning. We assume that without incorrect labeling and class imbalance, the representations of instances in each class conform to a multivariate Gaussian distribution, which is much milder and easier to be checked. Based on the assumption, we recover underlying representation distributions from polluted ones resulting from mislabeled and class-imbalanced data. Additional data points are then sampled from the recovered distributions to help generalization. Moreover, during classifier training, representation learning takes advantage of representation robustness brought by contrastive learning, which further improves the classifier performance. We derive theoretical results to discuss the effectiveness of our representation calibration. Experiments on multiple benchmarks justify our claims and confirm the superiority of the proposed method.

Categorical variables are a natural choice for representing discrete structure in the world. However, stochastic neural networks rarely use categorical latent variables due to the inability to backpropagate through samples. In this work, we present an efficient gradient estimator that replaces the non-differentiable sample from a categorical distribution with a differentiable sample from a novel Gumbel-Softmax distribution. This distribution has the essential property that it can be smoothly annealed into a categorical distribution. We show that our Gumbel-Softmax estimator outperforms state-of-the-art gradient estimators on structured output prediction and unsupervised generative modeling tasks with categorical latent variables, and enables large speedups on semi-supervised classification.

Reliably labelling data typically requires annotations from multiple human workers. However, humans are far from being perfect. Hence, it is a common practice to aggregate labels gathered from multiple annotators to make a more confident estimate of the true label. Among many aggregation methods, the simple and well known Majority Vote (MV) selects the class label polling the highest number of votes. However, despite its importance, the optimality of MV's label aggregation has not been extensively studied. We address this gap in our work by characterising the conditions under which MV achieves the theoretically optimal lower bound on label estimation error. Our results capture the tolerable limits on annotation noise under which MV can optimally recover labels for a given class distribution. This certificate of optimality provides a more principled approach to model selection for label aggregation as an alternative to otherwise inefficient practices that sometimes include higher experts, gold labels, etc., that are all marred by the same human uncertainty despite huge time and monetary costs. Experiments on both synthetic and real world data corroborate our theoretical findings.

For learning with noisy labels, the transition matrix, which explicitly models the relation between noisy label distribution and clean label distribution, has been utilized to achieve the statistical consistency of either the classifier or the risk. Previous researches have focused more on how to estimate this transition matrix well, rather than how to utilize it. We propose good utilization of the transition matrix is crucial and suggest a new utilization method based on resampling, coined RENT. Specifically, we first demonstrate current utilizations can have potential limitations for implementation. As an extension to Reweighting, we suggest the Dirichlet distribution-based per-sample Weight Sampling (DWS) framework, and compare reweighting and resampling under DWS framework. With the analyses from DWS, we propose RENT, a REsampling method with Noise Transition matrix. Empirically, RENT consistently outperforms existing transition matrix utilization methods, which includes reweighting, on various benchmark datasets. Our code is available at https://github.com/BaeHeeSun/RENT.

Conditional Text Generation has drawn much attention as a topic of Natural Language Generation (NLG) which provides the possibility for humans to control the properties of generated contents. Current conditional generation models cannot handle emerging conditions due to their joint end-to-end learning fashion. When a new condition added, these techniques require full retraining. In this paper, we present a new framework named Pre-train and Plug-in Variational Auto-Encoder (PPVAE) towards flexible conditional text generation. PPVAE decouples the text generation module from the condition representation module to allow "one-to-many" conditional generation. When a fresh condition emerges, only a lightweight network needs to be trained and works as a plug-in for PPVAE, which is efficient and desirable for real-world applications. Extensive experiments demonstrate the superiority of PPVAE against the existing alternatives with better conditionality and diversity but less training effort.

Weakly-Supervised Semantic Segmentation (WSSS) aims to train segmentation models by weak labels, which is receiving significant attention due to its low annotation cost. Existing approaches focus on generating pseudo labels for supervision while largely ignoring to leverage the inherent semantic correlation among different pseudo labels. We observe that pseudo-labeled pixels that are close to each other in the feature space are more likely to share the same class, and those closer to the distribution centers tend to have higher confidence. Motivated by this, we propose to model the underlying label distributions and employ cross-label constraints to generate more accurate pseudo labels. In this paper, we develop a unified WSSS framework named Adaptive Gaussian Mixtures Model, which leverages a GMM to model the label distributions. Specifically, we calculate the feature distribution centers of pseudo-labeled pixels and build the GMM by measuring the distance between the centers and each pseudo-labeled pixel. Then, we introduce an Online Expectation-Maximization (OEM) algorithm and a novel maximization loss to optimize the GMM adaptively, aiming to learn more discriminative decision boundaries between different class-wise Gaussian mixtures. Based on the label distributions, we leverage the GMM to generate high-quality pseudo labels for more reliable supervision. Our framework is capable of solving different forms of weak labels: image-level labels, points, scribbles, blocks, and bounding-boxes. Extensive experiments on PASCAL, COCO, Cityscapes, and ADE20K datasets demonstrate that our framework can effectively provide more reliable supervision and outperform the state-of-the-art methods under all settings. Code will be available at https://github.com/Luffy03/AGMM-SASS.

Conventional multi-label classification (MLC) methods assume that all samples are fully labeled and identically distributed. Unfortunately, this assumption is unrealistic in large-scale MLC data that has long-tailed (LT) distribution and partial labels (PL). To address the problem, we introduce a novel task, Partial labeling and Long-Tailed Multi-Label Classification (PLT-MLC), to jointly consider the above two imperfect learning environments. Not surprisingly, we find that most LT-MLC and PL-MLC approaches fail to solve the PLT-MLC, resulting in significant performance degradation on the two proposed PLT-MLC benchmarks. Therefore, we propose an end-to-end learning framework: COrrection rightarrow ModificatIon rightarrow balanCe, abbreviated as \method{}. Our bootstrapping philosophy is to simultaneously correct the missing labels (Correction) with convinced prediction confidence over a class-aware threshold and to learn from these recall labels during training. We next propose a novel multi-focal modifier loss that simultaneously addresses head-tail imbalance and positive-negative imbalance to adaptively modify the attention to different samples (Modification) under the LT class distribution. In addition, we develop a balanced training strategy by distilling the model's learning effect from head and tail samples, and thus design a balanced classifier (Balance) conditioned on the head and tail learning effect to maintain stable performance for all samples. Our experimental study shows that the proposed significantly outperforms general MLC, LT-MLC and PL-MLC methods in terms of effectiveness and robustness on our newly created PLT-MLC datasets.

We present a new distribution-free conformal prediction algorithm for sequential data (e.g., time series), called the sequential predictive conformal inference (SPCI). We specifically account for the nature that time series data are non-exchangeable, and thus many existing conformal prediction algorithms are not applicable. The main idea is to adaptively re-estimate the conditional quantile of non-conformity scores (e.g., prediction residuals), upon exploiting the temporal dependence among them. More precisely, we cast the problem of conformal prediction interval as predicting the quantile of a future residual, given a user-specified point prediction algorithm. Theoretically, we establish asymptotic valid conditional coverage upon extending consistency analyses in quantile regression. Using simulation and real-data experiments, we demonstrate a significant reduction in interval width of SPCI compared to other existing methods under the desired empirical coverage.

With the rapid advancement of Multi-modal Large Language Models (MLLMs), MLLM-based Image Quality Assessment (IQA) methods have shown promising performance in linguistic quality description. However, current methods still fall short in accurately scoring image quality. In this work, we aim to leverage MLLMs to regress accurate quality scores. A key challenge is that the quality score is inherently continuous, typically modeled as a Gaussian distribution, whereas MLLMs generate discrete token outputs. This mismatch necessitates score discretization. Previous approaches discretize the mean score into a one-hot label, resulting in information loss and failing to capture inter-image relationships. We propose a distribution-based approach that discretizes the score distribution into a soft label. This method preserves the characteristics of the score distribution, achieving high accuracy and maintaining inter-image relationships. Moreover, to address dataset variation, where different IQA datasets exhibit various distributions, we introduce a fidelity loss based on Thurstone's model. This loss captures intra-dataset relationships, facilitating co-training across multiple IQA datasets. With these designs, we develop the distribution-based Depicted image Quality Assessment model for Score regression (DeQA-Score). Experiments across multiple benchmarks show that DeQA-Score stably outperforms baselines in score regression. Also, DeQA-Score can predict the score distribution that closely aligns with human annotations. Codes and model weights have been released in https://depictqa.github.io/deqa-score/.

Categorical distributions are ubiquitous in machine learning, e.g., in classification, language models, and recommendation systems. However, when the number of possible outcomes is very large, using categorical distributions becomes computationally expensive, as the complexity scales linearly with the number of outcomes. To address this problem, we propose augment and reduce (A&R), a method to alleviate the computational complexity. A&R uses two ideas: latent variable augmentation and stochastic variational inference. It maximizes a lower bound on the marginal likelihood of the data. Unlike existing methods which are specific to softmax, A&R is more general and is amenable to other categorical models, such as multinomial probit. On several large-scale classification problems, we show that A&R provides a tighter bound on the marginal likelihood and has better predictive performance than existing approaches.

Recently, conditional diffusion models have gained popularity in numerous applications due to their exceptional generation ability. However, many existing methods are training-required. They need to train a time-dependent classifier or a condition-dependent score estimator, which increases the cost of constructing conditional diffusion models and is inconvenient to transfer across different conditions. Some current works aim to overcome this limitation by proposing training-free solutions, but most can only be applied to a specific category of tasks and not to more general conditions. In this work, we propose a training-Free conditional Diffusion Model (FreeDoM) used for various conditions. Specifically, we leverage off-the-shelf pre-trained networks, such as a face detection model, to construct time-independent energy functions, which guide the generation process without requiring training. Furthermore, because the construction of the energy function is very flexible and adaptable to various conditions, our proposed FreeDoM has a broader range of applications than existing training-free methods. FreeDoM is advantageous in its simplicity, effectiveness, and low cost. Experiments demonstrate that FreeDoM is effective for various conditions and suitable for diffusion models of diverse data domains, including image and latent code domains.

Diffusion models have shown incredible capabilities as generative models; indeed, they power the current state-of-the-art models on text-conditioned image generation such as Imagen and DALL-E 2. In this work we review, demystify, and unify the understanding of diffusion models across both variational and score-based perspectives. We first derive Variational Diffusion Models (VDM) as a special case of a Markovian Hierarchical Variational Autoencoder, where three key assumptions enable tractable computation and scalable optimization of the ELBO. We then prove that optimizing a VDM boils down to learning a neural network to predict one of three potential objectives: the original source input from any arbitrary noisification of it, the original source noise from any arbitrarily noisified input, or the score function of a noisified input at any arbitrary noise level. We then dive deeper into what it means to learn the score function, and connect the variational perspective of a diffusion model explicitly with the Score-based Generative Modeling perspective through Tweedie's Formula. Lastly, we cover how to learn a conditional distribution using diffusion models via guidance.

We propose a Distributional Approach for addressing Controlled Text Generation from pre-trained Language Models (LMs). This approach permits to specify, in a single formal framework, both "pointwise" and "distributional" constraints over the target LM -- to our knowledge, the first model with such generality -- while minimizing KL divergence from the initial LM distribution. The optimal target distribution is then uniquely determined as an explicit EBM (Energy-Based Model) representation. From that optimal representation we then train a target controlled Autoregressive LM through an adaptive distributional variant of Policy Gradient. We conduct a first set of experiments over pointwise constraints showing the advantages of our approach over a set of baselines, in terms of obtaining a controlled LM balancing constraint satisfaction with divergence from the initial LM. We then perform experiments over distributional constraints, a unique feature of our approach, demonstrating its potential as a remedy to the problem of Bias in Language Models. Through an ablation study, we show the effectiveness of our adaptive technique for obtaining faster convergence. (Code available at https://github.com/naver/gdc)

Transductive Few-Shot Learning (TFSL) has recently attracted increasing attention since it typically outperforms its inductive peer by leveraging statistics of query samples. However, previous TFSL methods usually encode uniform prior that all the classes within query samples are equally likely, which is biased in imbalanced TFSL and causes severe performance degradation. Given this pivotal issue, in this work, we propose a novel Conditional Transport (CT) based imbalanced TFSL model called {\textbf P}rototypes-oriented {\textbf U}nbiased {\textbf T}ransfer {\textbf M}odel (PUTM) to fully exploit unbiased statistics of imbalanced query samples, which employs forward and backward navigators as transport matrices to balance the prior of query samples per class between uniform and adaptive data-driven distributions. For efficiently transferring statistics learned by CT, we further derive a closed form solution to refine prototypes based on MAP given the learned navigators. The above two steps of discovering and transferring unbiased statistics follow an iterative manner, formulating our EM-based solver. Experimental results on four standard benchmarks including miniImageNet, tieredImageNet, CUB, and CIFAR-FS demonstrate superiority of our model in class-imbalanced generalization.

We consider the learning from noisy labels (NL) problem which emerges in many real-world applications. In addition to the widely-studied synthetic noise in the NL literature, we also consider the pseudo labels in semi-supervised learning (Semi-SL) as a special case of NL. For both types of noise, we argue that the generalization performance of existing methods is highly coupled with the quality of noisy labels. Therefore, we counter the problem from a novel and unified perspective: learning from the auxiliary clean labels. Specifically, we propose the Rotational-Decoupling Consistency Regularization (RDCR) framework that integrates the consistency-based methods with the self-supervised rotation task to learn noise-tolerant representations. The experiments show that RDCR achieves comparable or superior performance than the state-of-the-art methods under small noise, while outperforms the existing methods significantly when there is large noise.

Diffusion models have emerged as a pivotal advancement in generative models, setting new standards to the quality of the generated instances. In the current paper we aim to underscore a discrepancy between conventional training methods and the desired conditional sampling behavior of these models. While the prevalent classifier-free guidance technique works well, it's not without flaws. At higher values for the guidance scale parameter w, we often get out of distribution samples and mode collapse, whereas at lower values for w we may not get the desired specificity. To address these challenges, we introduce an updated loss function that better aligns training objectives with sampling behaviors. Experimental validation with FID scores on CIFAR-10 elucidates our method's ability to produce higher quality samples with fewer sampling timesteps, and be more robust to the choice of guidance scale w. We also experiment with fine-tuning Stable Diffusion on the proposed loss, to provide early evidence that large diffusion models may also benefit from this refined loss function.

This work explores conditional image generation with a new image density model based on the PixelCNN architecture. The model can be conditioned on any vector, including descriptive labels or tags, or latent embeddings created by other networks. When conditioned on class labels from the ImageNet database, the model is able to generate diverse, realistic scenes representing distinct animals, objects, landscapes and structures. When conditioned on an embedding produced by a convolutional network given a single image of an unseen face, it generates a variety of new portraits of the same person with different facial expressions, poses and lighting conditions. We also show that conditional PixelCNN can serve as a powerful decoder in an image autoencoder. Additionally, the gated convolutional layers in the proposed model improve the log-likelihood of PixelCNN to match the state-of-the-art performance of PixelRNN on ImageNet, with greatly reduced computational cost.

Neural sequence models can generate highly fluent sentences, but recent studies have also shown that they are also prone to hallucinate additional content not supported by the input. These variety of fluent but wrong outputs are particularly problematic, as it will not be possible for users to tell they are being presented incorrect content. To detect these errors, we propose a task to predict whether each token in the output sequence is hallucinated (not contained in the input) and collect new manually annotated evaluation sets for this task. We also introduce a method for learning to detect hallucinations using pretrained language models fine tuned on synthetic data that includes automatically inserted hallucinations Experiments on machine translation (MT) and abstractive summarization demonstrate that our proposed approach consistently outperforms strong baselines on all benchmark datasets. We further demonstrate how to use the token-level hallucination labels to define a fine-grained loss over the target sequence in low-resource MT and achieve significant improvements over strong baseline methods. We also apply our method to word-level quality estimation for MT and show its effectiveness in both supervised and unsupervised settings. Codes and data available at https://github.com/violet-zct/fairseq-detect-hallucination.

We explore a data-driven approach for learning to optimize neural networks. We construct a dataset of neural network checkpoints and train a generative model on the parameters. In particular, our model is a conditional diffusion transformer that, given an initial input parameter vector and a prompted loss, error, or return, predicts the distribution over parameter updates that achieve the desired metric. At test time, it can optimize neural networks with unseen parameters for downstream tasks in just one update. We find that our approach successfully generates parameters for a wide range of loss prompts. Moreover, it can sample multimodal parameter solutions and has favorable scaling properties. We apply our method to different neural network architectures and tasks in supervised and reinforcement learning.

Diffusion models have been used extensively for high quality image and video generation tasks. In this paper, we propose a novel conditional diffusion model with spatial attention and latent embedding (cDAL) for medical image segmentation. In cDAL, a convolutional neural network (CNN) based discriminator is used at every time-step of the diffusion process to distinguish between the generated labels and the real ones. A spatial attention map is computed based on the features learned by the discriminator to help cDAL generate more accurate segmentation of discriminative regions in an input image. Additionally, we incorporated a random latent embedding into each layer of our model to significantly reduce the number of training and sampling time-steps, thereby making it much faster than other diffusion models for image segmentation. We applied cDAL on 3 publicly available medical image segmentation datasets (MoNuSeg, Chest X-ray and Hippocampus) and observed significant qualitative and quantitative improvements with higher Dice scores and mIoU over the state-of-the-art algorithms. The source code is publicly available at https://github.com/Hejrati/cDAL/.

The recent wave of large-scale text-to-image diffusion models has dramatically increased our text-based image generation abilities. These models can generate realistic images for a staggering variety of prompts and exhibit impressive compositional generalization abilities. Almost all use cases thus far have solely focused on sampling; however, diffusion models can also provide conditional density estimates, which are useful for tasks beyond image generation. In this paper, we show that the density estimates from large-scale text-to-image diffusion models like Stable Diffusion can be leveraged to perform zero-shot classification without any additional training. Our generative approach to classification, which we call Diffusion Classifier, attains strong results on a variety of benchmarks and outperforms alternative methods of extracting knowledge from diffusion models. Although a gap remains between generative and discriminative approaches on zero-shot recognition tasks, we find that our diffusion-based approach has stronger multimodal relational reasoning abilities than competing discriminative approaches. Finally, we use Diffusion Classifier to extract standard classifiers from class-conditional diffusion models trained on ImageNet. Even though these models are trained with weak augmentations and no regularization, they approach the performance of SOTA discriminative classifiers. Overall, our results are a step toward using generative over discriminative models for downstream tasks. Results and visualizations at https://diffusion-classifier.github.io/

When prompting a language model (LM), users frequently expect the model to adhere to a set of behavioral principles across diverse tasks, such as producing insightful content while avoiding harmful or biased language. Instilling such principles into a model can be resource-intensive and technically challenging, generally requiring human preference labels or examples. We introduce SAMI, a method for teaching a pretrained LM to follow behavioral principles that does not require any preference labels or demonstrations. SAMI is an iterative algorithm that finetunes a pretrained LM to increase the conditional mutual information between constitutions and self-generated responses given queries from a datasest. On single-turn dialogue and summarization, a SAMI-trained mistral-7b outperforms the initial pretrained model, with win rates between 66% and 77%. Strikingly, it also surpasses an instruction-finetuned baseline (mistral-7b-instruct) with win rates between 55% and 57% on single-turn dialogue. SAMI requires a "principle writer" model; to avoid dependence on stronger models, we further evaluate aligning a strong pretrained model (mixtral-8x7b) using constitutions written by a weak instruction-finetuned model (mistral-7b-instruct). The SAMI-trained mixtral-8x7b outperforms both the initial model and the instruction-finetuned model, achieving a 65% win rate on summarization. Our results indicate that a pretrained LM can learn to follow constitutions without using preference labels, demonstrations, or human oversight.

While large-scale sequence modeling from offline data has led to impressive performance gains in natural language and image generation, directly translating such ideas to robotics has been challenging. One critical reason for this is that uncurated robot demonstration data, i.e. play data, collected from non-expert human demonstrators are often noisy, diverse, and distributionally multi-modal. This makes extracting useful, task-centric behaviors from such data a difficult generative modeling problem. In this work, we present Conditional Behavior Transformers (C-BeT), a method that combines the multi-modal generation ability of Behavior Transformer with future-conditioned goal specification. On a suite of simulated benchmark tasks, we find that C-BeT improves upon prior state-of-the-art work in learning from play data by an average of 45.7%. Further, we demonstrate for the first time that useful task-centric behaviors can be learned on a real-world robot purely from play data without any task labels or reward information. Robot videos are best viewed on our project website: https://play-to-policy.github.io

What sorts of structure might enable a learner to discover classes from unlabeled data? Traditional approaches rely on feature-space similarity and heroic assumptions on the data. In this paper, we introduce unsupervised learning under Latent Label Shift (LLS), where we have access to unlabeled data from multiple domains such that the label marginals p_d(y) can shift across domains but the class conditionals p(x|y) do not. This work instantiates a new principle for identifying classes: elements that shift together group together. For finite input spaces, we establish an isomorphism between LLS and topic modeling: inputs correspond to words, domains to documents, and labels to topics. Addressing continuous data, we prove that when each label's support contains a separable region, analogous to an anchor word, oracle access to p(d|x) suffices to identify p_d(y) and p_d(y|x) up to permutation. Thus motivated, we introduce a practical algorithm that leverages domain-discriminative models as follows: (i) push examples through domain discriminator p(d|x); (ii) discretize the data by clustering examples in p(d|x) space; (iii) perform non-negative matrix factorization on the discrete data; (iv) combine the recovered p(y|d) with the discriminator outputs p(d|x) to compute p_d(y|x) ; forall d. With semi-synthetic experiments, we show that our algorithm can leverage domain information to improve upon competitive unsupervised classification methods. We reveal a failure mode of standard unsupervised classification methods when feature-space similarity does not indicate true groupings, and show empirically that our method better handles this case. Our results establish a deep connection between distribution shift and topic modeling, opening promising lines for future work.

In an effort to further advance semi-supervised generative and classification tasks, we propose a simple yet effective training strategy called dual pseudo training (DPT), built upon strong semi-supervised learners and diffusion models. DPT operates in three stages: training a classifier on partially labeled data to predict pseudo-labels; training a conditional generative model using these pseudo-labels to generate pseudo images; and retraining the classifier with a mix of real and pseudo images. Empirically, DPT consistently achieves SOTA performance of semi-supervised generation and classification across various settings. In particular, with one or two labels per class, DPT achieves a Fr\'echet Inception Distance (FID) score of 3.08 or 2.52 on ImageNet 256x256. Besides, DPT outperforms competitive semi-supervised baselines substantially on ImageNet classification tasks, achieving top-1 accuracies of 59.0 (+2.8), 69.5 (+3.0), and 74.4 (+2.0) with one, two, or five labels per class, respectively. Notably, our results demonstrate that diffusion can generate realistic images with only a few labels (e.g., <0.1%) and generative augmentation remains viable for semi-supervised classification. Our code is available at https://github.com/ML-GSAI/DPT.

While previous distribution shift detection approaches can identify if a shift has occurred, these approaches cannot localize which specific features have caused a distribution shift -- a critical step in diagnosing or fixing any underlying issue. For example, in military sensor networks, users will want to detect when one or more of the sensors has been compromised, and critically, they will want to know which specific sensors might be compromised. Thus, we first define a formalization of this problem as multiple conditional distribution hypothesis tests and propose both non-parametric and parametric statistical tests. For both efficiency and flexibility, we then propose to use a test statistic based on the density model score function (i.e. gradient with respect to the input) -- which can easily compute test statistics for all dimensions in a single forward and backward pass. Any density model could be used for computing the necessary statistics including deep density models such as normalizing flows or autoregressive models. We additionally develop methods for identifying when and where a shift occurs in multivariate time-series data and show results for multiple scenarios using realistic attack models on both simulated and real world data.

To effectively optimize and personalize treatments, it is necessary to investigate the heterogeneity of treatment effects. With the wide range of users being treated over many online controlled experiments, the typical approach of manually investigating each dimension of heterogeneity becomes overly cumbersome and prone to subjective human biases. We need an efficient way to search through thousands of experiments with hundreds of target covariates and hundreds of breakdown dimensions. In this paper, we propose a systematic paradigm for detecting, surfacing and characterizing heterogeneous treatment effects. First, we detect if treatment effect variation is present in an experiment, prior to specifying any breakdowns. Second, we surface the most relevant dimensions for heterogeneity. Finally, we characterize the heterogeneity beyond just the conditional average treatment effects (CATE) by studying the conditional distributions of the estimated individual treatment effects. We show the effectiveness of our methods using simulated data and empirical studies.

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.

Given a classifier, the inherent property of semantic Out-of-Distribution (OOD) samples is that their contents differ from all legal classes in terms of semantics, namely semantic mismatch. There is a recent work that directly applies it to OOD detection, which employs a conditional Generative Adversarial Network (cGAN) to enlarge semantic mismatch in the image space. While achieving remarkable OOD detection performance on small datasets, it is not applicable to ImageNet-scale datasets due to the difficulty in training cGANs with both input images and labels as conditions. As diffusion models are much easier to train and amenable to various conditions compared to cGANs, in this work, we propose to directly use pre-trained diffusion models for semantic mismatch-guided OOD detection, named DiffGuard. Specifically, given an OOD input image and the predicted label from the classifier, we try to enlarge the semantic difference between the reconstructed OOD image under these conditions and the original input image. We also present several test-time techniques to further strengthen such differences. Experimental results show that DiffGuard is effective on both Cifar-10 and hard cases of the large-scale ImageNet, and it can be easily combined with existing OOD detection techniques to achieve state-of-the-art OOD detection results.

Self-training is a well-known approach for semi-supervised learning. It consists of iteratively assigning pseudo-labels to unlabeled data for which the model is confident and treating them as labeled examples. For neural networks, softmax prediction probabilities are often used as a confidence measure, although they are known to be overconfident, even for wrong predictions. This phenomenon is particularly intensified in the presence of sample selection bias, i.e., when data labeling is subject to some constraint. To address this issue, we propose a novel confidence measure, called T-similarity, built upon the prediction diversity of an ensemble of linear classifiers. We provide the theoretical analysis of our approach by studying stationary points and describing the relationship between the diversity of the individual members and their performance. We empirically demonstrate the benefit of our confidence measure for three different pseudo-labeling policies on classification datasets of various data modalities. The code is available at https://github.com/ambroiseodt/tsim.

In multi-label classification, each example in a dataset may be annotated as belonging to one or more classes (or none of the classes). Example applications include image (or document) tagging where each possible tag either applies to a particular image (or document) or not. With many possible classes to consider, data annotators are likely to make errors when labeling such data in practice. Here we consider algorithms for finding mislabeled examples in multi-label classification datasets. We propose an extension of the Confident Learning framework to this setting, as well as a label quality score that ranks examples with label errors much higher than those which are correctly labeled. Both approaches can utilize any trained classifier. After demonstrating that our methodology empirically outperforms other algorithms for label error detection, we apply our approach to discover many label errors in the CelebA image tagging dataset.

In a typical multi-label setting, a picture contains on average few positive labels, and many negative ones. This positive-negative imbalance dominates the optimization process, and can lead to under-emphasizing gradients from positive labels during training, resulting in poor accuracy. In this paper, we introduce a novel asymmetric loss ("ASL"), which operates differently on positive and negative samples. The loss enables to dynamically down-weights and hard-thresholds easy negative samples, while also discarding possibly mislabeled samples. We demonstrate how ASL can balance the probabilities of different samples, and how this balancing is translated to better mAP scores. With ASL, we reach state-of-the-art results on multiple popular multi-label datasets: MS-COCO, Pascal-VOC, NUS-WIDE and Open Images. We also demonstrate ASL applicability for other tasks, such as single-label classification and object detection. ASL is effective, easy to implement, and does not increase the training time or complexity. Implementation is available at: https://github.com/Alibaba-MIIL/ASL.

Distilling knowledge from a large teacher model to a lightweight one is a widely successful approach for generating compact, powerful models in the semi-supervised learning setting where a limited amount of labeled data is available. In large-scale applications, however, the teacher tends to provide a large number of incorrect soft-labels that impairs student performance. The sheer size of the teacher additionally constrains the number of soft-labels that can be queried due to prohibitive computational and/or financial costs. The difficulty in achieving simultaneous efficiency (i.e., minimizing soft-label queries) and robustness (i.e., avoiding student inaccuracies due to incorrect labels) hurts the widespread application of knowledge distillation to many modern tasks. In this paper, we present a parameter-free approach with provable guarantees to query the soft-labels of points that are simultaneously informative and correctly labeled by the teacher. At the core of our work lies a game-theoretic formulation that explicitly considers the inherent trade-off between the informativeness and correctness of input instances. We establish bounds on the expected performance of our approach that hold even in worst-case distillation instances. We present empirical evaluations on popular benchmarks that demonstrate the improved distillation performance enabled by our work relative to that of state-of-the-art active learning and active distillation methods.

Classifier-free guidance (CFG) has become the standard method for enhancing the quality of conditional diffusion models. However, employing CFG requires either training an unconditional model alongside the main diffusion model or modifying the training procedure by periodically inserting a null condition. There is also no clear extension of CFG to unconditional models. In this paper, we revisit the core principles of CFG and introduce a new method, independent condition guidance (ICG), which provides the benefits of CFG without the need for any special training procedures. Our approach streamlines the training process of conditional diffusion models and can also be applied during inference on any pre-trained conditional model. Additionally, by leveraging the time-step information encoded in all diffusion networks, we propose an extension of CFG, called time-step guidance (TSG), which can be applied to any diffusion model, including unconditional ones. Our guidance techniques are easy to implement and have the same sampling cost as CFG. Through extensive experiments, we demonstrate that ICG matches the performance of standard CFG across various conditional diffusion models. Moreover, we show that TSG improves generation quality in a manner similar to CFG, without relying on any conditional information.

Deep clustering, which learns representation and semantic clustering without labels information, poses a great challenge for deep learning-based approaches. Despite significant progress in recent years, most existing methods focus on uniformly distributed datasets, significantly limiting the practical applicability of their methods. In this paper, we first introduce a more practical problem setting named deep imbalanced clustering, where the underlying classes exhibit an imbalance distribution. To tackle this problem, we propose a novel pseudo-labeling-based learning framework. Our framework formulates pseudo-label generation as a progressive partial optimal transport problem, which progressively transports each sample to imbalanced clusters under prior distribution constraints, thus generating imbalance-aware pseudo-labels and learning from high-confident samples. In addition, we transform the initial formulation into an unbalanced optimal transport problem with augmented constraints, which can be solved efficiently by a fast matrix scaling algorithm. Experiments on various datasets, including a human-curated long-tailed CIFAR100, challenging ImageNet-R, and large-scale subsets of fine-grained iNaturalist2018 datasets, demonstrate the superiority of our method.

Training classifiers is difficult with severe class imbalance, but many rare events are the culmination of a sequence with much more common intermediate outcomes. For example, in online marketing a user first sees an ad, then may click on it, and finally may make a purchase; estimating the probability of purchases is difficult because of their rarity. We show both theoretically and through data experiments that the more abundant data in earlier steps may be leveraged to improve estimation of probabilities of rare events. We present PRESTO, a relaxation of the proportional odds model for ordinal regression. Instead of estimating weights for one separating hyperplane that is shifted by separate intercepts for each of the estimated Bayes decision boundaries between adjacent pairs of categorical responses, we estimate separate weights for each of these transitions. We impose an L1 penalty on the differences between weights for the same feature in adjacent weight vectors in order to shrink towards the proportional odds model. We prove that PRESTO consistently estimates the decision boundary weights under a sparsity assumption. Synthetic and real data experiments show that our method can estimate rare probabilities in this setting better than both logistic regression on the rare category, which fails to borrow strength from more abundant categories, and the proportional odds model, which is too inflexible.

Real-world data often exhibits long-tailed distributions with heavy class imbalance, posing great challenges for deep recognition models. We identify a persisting dilemma on the value of labels in the context of imbalanced learning: on the one hand, supervision from labels typically leads to better results than its unsupervised counterparts; on the other hand, heavily imbalanced data naturally incurs "label bias" in the classifier, where the decision boundary can be drastically altered by the majority classes. In this work, we systematically investigate these two facets of labels. We demonstrate, theoretically and empirically, that class-imbalanced learning can significantly benefit in both semi-supervised and self-supervised manners. Specifically, we confirm that (1) positively, imbalanced labels are valuable: given more unlabeled data, the original labels can be leveraged with the extra data to reduce label bias in a semi-supervised manner, which greatly improves the final classifier; (2) negatively however, we argue that imbalanced labels are not useful always: classifiers that are first pre-trained in a self-supervised manner consistently outperform their corresponding baselines. Extensive experiments on large-scale imbalanced datasets verify our theoretically grounded strategies, showing superior performance over previous state-of-the-arts. Our intriguing findings highlight the need to rethink the usage of imbalanced labels in realistic long-tailed tasks. Code is available at https://github.com/YyzHarry/imbalanced-semi-self.

We prove a new upper bound on the generalization gap of classifiers that are obtained by first using self-supervision to learn a representation r of the training data, and then fitting a simple (e.g., linear) classifier g to the labels. Specifically, we show that (under the assumptions described below) the generalization gap of such classifiers tends to zero if C(g) ll n, where C(g) is an appropriately-defined measure of the simple classifier g's complexity, and n is the number of training samples. We stress that our bound is independent of the complexity of the representation r. We do not make any structural or conditional-independence assumptions on the representation-learning task, which can use the same training dataset that is later used for classification. Rather, we assume that the training procedure satisfies certain natural noise-robustness (adding small amount of label noise causes small degradation in performance) and rationality (getting the wrong label is not better than getting no label at all) conditions that widely hold across many standard architectures. We show that our bound is non-vacuous for many popular representation-learning based classifiers on CIFAR-10 and ImageNet, including SimCLR, AMDIM and MoCo.

Learning from label proportions (LLP) is a promising weakly supervised learning problem. In LLP, a set of instances (bag) has label proportions, but no instance-level labels are given. LLP aims to train an instance-level classifier by using the label proportions of the bag. In this paper, we propose a bag-level data augmentation method for LLP called MixBag, based on the key observation from our preliminary experiments; that the instance-level classification accuracy improves as the number of labeled bags increases even though the total number of instances is fixed. We also propose a confidence interval loss designed based on statistical theory to use the augmented bags effectively. To the best of our knowledge, this is the first attempt to propose bag-level data augmentation for LLP. The advantage of MixBag is that it can be applied to instance-level data augmentation techniques and any LLP method that uses the proportion loss. Experimental results demonstrate this advantage and the effectiveness of our method.

In computational social science (CSS), researchers analyze documents to explain social and political phenomena. In most scenarios, CSS researchers first obtain labels for documents and then explain labels using interpretable regression analyses in the second step. One increasingly common way to annotate documents cheaply at scale is through large language models (LLMs). However, like other scalable ways of producing annotations, such surrogate labels are often imperfect and biased. We present a new algorithm for using imperfect annotation surrogates for downstream statistical analyses while guaranteeing statistical properties -- like asymptotic unbiasedness and proper uncertainty quantification -- which are fundamental to CSS research. We show that direct use of surrogate labels in downstream statistical analyses leads to substantial bias and invalid confidence intervals, even with high surrogate accuracy of 80-90%. To address this, we build on debiased machine learning to propose the design-based supervised learning (DSL) estimator. DSL employs a doubly-robust procedure to combine surrogate labels with a smaller number of high-quality, gold-standard labels. Our approach guarantees valid inference for downstream statistical analyses, even when surrogates are arbitrarily biased and without requiring stringent assumptions, by controlling the probability of sampling documents for gold-standard labeling. Both our theoretical analysis and experimental results show that DSL provides valid statistical inference while achieving root mean squared errors comparable to existing alternatives that focus only on prediction without inferential guarantees.

Conventional multi-label recognition methods often focus on label confidence, frequently overlooking the pivotal role of partial order relations consistent with human preference. To resolve these issues, we introduce a novel method for multimodal label relevance ranking, named Label Relevance Ranking with Proximal Policy Optimization (LR2PPO), which effectively discerns partial order relations among labels. LR2PPO first utilizes partial order pairs in the target domain to train a reward model, which aims to capture human preference intrinsic to the specific scenario. Furthermore, we meticulously design state representation and a policy loss tailored for ranking tasks, enabling LR2PPO to boost the performance of label relevance ranking model and largely reduce the requirement of partial order annotation for transferring to new scenes. To assist in the evaluation of our approach and similar methods, we further propose a novel benchmark dataset, LRMovieNet, featuring multimodal labels and their corresponding partial order data. Extensive experiments demonstrate that our LR2PPO algorithm achieves state-of-the-art performance, proving its effectiveness in addressing the multimodal label relevance ranking problem. Codes and the proposed LRMovieNet dataset are publicly available at https://github.com/ChazzyGordon/LR2PPO.

Feature attribution methods identify which features of an input most influence a model's output. Most widely-used feature attribution methods (such as SHAP, LIME, and Grad-CAM) are "class-dependent" methods in that they generate a feature attribution vector as a function of class. In this work, we demonstrate that class-dependent methods can "leak" information about the selected class, making that class appear more likely than it is. Thus, an end user runs the risk of drawing false conclusions when interpreting an explanation generated by a class-dependent method. In contrast, we introduce "distribution-aware" methods, which favor explanations that keep the label's distribution close to its distribution given all features of the input. We introduce SHAP-KL and FastSHAP-KL, two baseline distribution-aware methods that compute Shapley values. Finally, we perform a comprehensive evaluation of seven class-dependent and three distribution-aware methods on three clinical datasets of different high-dimensional data types: images, biosignals, and text.

Generalized Category Discovery (GCD) is a pragmatic and challenging open-world task, which endeavors to cluster unlabeled samples from both novel and old classes, leveraging some labeled data of old classes. Given that knowledge learned from old classes is not fully transferable to new classes, and that novel categories are fully unlabeled, GCD inherently faces intractable problems, including imbalanced classification performance and inconsistent confidence between old and new classes, especially in the low-labeling regime. Hence, some annotations of new classes are deemed necessary. However, labeling new classes is extremely costly. To address this issue, we take the spirit of active learning and propose a new setting called Active Generalized Category Discovery (AGCD). The goal is to improve the performance of GCD by actively selecting a limited amount of valuable samples for labeling from the oracle. To solve this problem, we devise an adaptive sampling strategy, which jointly considers novelty, informativeness and diversity to adaptively select novel samples with proper uncertainty. However, owing to the varied orderings of label indices caused by the clustering of novel classes, the queried labels are not directly applicable to subsequent training. To overcome this issue, we further propose a stable label mapping algorithm that transforms ground truth labels to the label space of the classifier, thereby ensuring consistent training across different active selection stages. Our method achieves state-of-the-art performance on both generic and fine-grained datasets. Our code is available at https://github.com/mashijie1028/ActiveGCD

Recent works have extended notions of feature importance to semantic concepts that are inherently interpretable to the users interacting with a black-box predictive model. Yet, precise statistical guarantees, such as false positive rate control, are needed to communicate findings transparently and to avoid unintended consequences in real-world scenarios. In this paper, we formalize the global (i.e., over a population) and local (i.e., for a sample) statistical importance of semantic concepts for the predictions of opaque models, by means of conditional independence, which allows for rigorous testing. We use recent ideas of sequential kernelized testing (SKIT) to induce a rank of importance across concepts, and showcase the effectiveness and flexibility of our framework on synthetic datasets as well as on image classification tasks using vision-language models such as CLIP.

Generative models inspired by dynamical transport of measure -- such as flows and diffusions -- construct a continuous-time map between two probability densities. Conventionally, one of these is the target density, only accessible through samples, while the other is taken as a simple base density that is data-agnostic. In this work, using the framework of stochastic interpolants, we formalize how to couple the base and the target densities. This enables us to incorporate information about class labels or continuous embeddings to construct dynamical transport maps that serve as conditional generative models. We show that these transport maps can be learned by solving a simple square loss regression problem analogous to the standard independent setting. We demonstrate the usefulness of constructing dependent couplings in practice through experiments in super-resolution and in-painting.

Invariance learning methods aim to learn invariant features in the hope that they generalize under distributional shifts. Although many tasks are naturally characterized by continuous domains, current invariance learning techniques generally assume categorically indexed domains. For example, auto-scaling in cloud computing often needs a CPU utilization prediction model that generalizes across different times (e.g., time of a day and date of a year), where `time' is a continuous domain index. In this paper, we start by theoretically showing that existing invariance learning methods can fail for continuous domain problems. Specifically, the naive solution of splitting continuous domains into discrete ones ignores the underlying relationship among domains, and therefore potentially leads to suboptimal performance. To address this challenge, we then propose Continuous Invariance Learning (CIL), which extracts invariant features across continuously indexed domains. CIL is a novel adversarial procedure that measures and controls the conditional independence between the labels and continuous domain indices given the extracted features. Our theoretical analysis demonstrates the superiority of CIL over existing invariance learning methods. Empirical results on both synthetic and real-world datasets (including data collected from production systems) show that CIL consistently outperforms strong baselines among all the tasks.

Recent advances in latent diffusion-based generative models for portrait image animation, such as Hallo, have achieved impressive results in short-duration video synthesis. In this paper, we present updates to Hallo, introducing several design enhancements to extend its capabilities. First, we extend the method to produce long-duration videos. To address substantial challenges such as appearance drift and temporal artifacts, we investigate augmentation strategies within the image space of conditional motion frames. Specifically, we introduce a patch-drop technique augmented with Gaussian noise to enhance visual consistency and temporal coherence over long duration. Second, we achieve 4K resolution portrait video generation. To accomplish this, we implement vector quantization of latent codes and apply temporal alignment techniques to maintain coherence across the temporal dimension. By integrating a high-quality decoder, we realize visual synthesis at 4K resolution. Third, we incorporate adjustable semantic textual labels for portrait expressions as conditional inputs. This extends beyond traditional audio cues to improve controllability and increase the diversity of the generated content. To the best of our knowledge, Hallo2, proposed in this paper, is the first method to achieve 4K resolution and generate hour-long, audio-driven portrait image animations enhanced with textual prompts. We have conducted extensive experiments to evaluate our method on publicly available datasets, including HDTF, CelebV, and our introduced "Wild" dataset. The experimental results demonstrate that our approach achieves state-of-the-art performance in long-duration portrait video animation, successfully generating rich and controllable content at 4K resolution for duration extending up to tens of minutes. Project page https://fudan-generative-vision.github.io/hallo2

This work demonstrates that diffusion models can achieve font-controllable multilingual text rendering using just raw images without font label annotations. Visual text rendering remains a significant challenge. While recent methods condition diffusion on glyphs, it is impossible to retrieve exact font annotations from large-scale, real-world datasets, which prevents user-specified font control. To address this, we propose a data-driven solution that integrates the conditional diffusion model with a text segmentation model, utilizing segmentation masks to capture and represent fonts in pixel space in a self-supervised manner, thereby eliminating the need for any ground-truth labels and enabling users to customize text rendering with any multilingual font of their choice. The experiment provides a proof of concept of our algorithm in zero-shot text and font editing across diverse fonts and languages, providing valuable insights for the community and industry toward achieving generalized visual text rendering.

State-of-the-art named entity recognition systems rely heavily on hand-crafted features and domain-specific knowledge in order to learn effectively from the small, supervised training corpora that are available. In this paper, we introduce two new neural architectures---one based on bidirectional LSTMs and conditional random fields, and the other that constructs and labels segments using a transition-based approach inspired by shift-reduce parsers. Our models rely on two sources of information about words: character-based word representations learned from the supervised corpus and unsupervised word representations learned from unannotated corpora. Our models obtain state-of-the-art performance in NER in four languages without resorting to any language-specific knowledge or resources such as gazetteers.

Weak supervision (WS) frameworks are a popular way to bypass hand-labeling large datasets for training data-hungry models. These approaches synthesize multiple noisy but cheaply-acquired estimates of labels into a set of high-quality pseudolabels for downstream training. However, the synthesis technique is specific to a particular kind of label, such as binary labels or sequences, and each new label type requires manually designing a new synthesis algorithm. Instead, we propose a universal technique that enables weak supervision over any label type while still offering desirable properties, including practical flexibility, computational efficiency, and theoretical guarantees. We apply this technique to important problems previously not tackled by WS frameworks including learning to rank, regression, and learning in hyperbolic space. Theoretically, our synthesis approach produces a consistent estimators for learning some challenging but important generalizations of the exponential family model. Experimentally, we validate our framework and show improvement over baselines in diverse settings including real-world learning-to-rank and regression problems along with learning on hyperbolic manifolds.

Existing methods for vision-and-language learning typically require designing task-specific architectures and objectives for each task. For example, a multi-label answer classifier for visual question answering, a region scorer for referring expression comprehension, and a language decoder for image captioning, etc. To alleviate these hassles, in this work, we propose a unified framework that learns different tasks in a single architecture with the same language modeling objective, i.e., multimodal conditional text generation, where our models learn to generate labels in text based on the visual and textual inputs. On 7 popular vision-and-language benchmarks, including visual question answering, referring expression comprehension, visual commonsense reasoning, most of which have been previously modeled as discriminative tasks, our generative approach (with a single unified architecture) reaches comparable performance to recent task-specific state-of-the-art vision-and-language models. Moreover, our generative approach shows better generalization ability on questions that have rare answers. Also, we show that our framework allows multi-task learning in a single architecture with a single set of parameters, achieving similar performance to separately optimized single-task models. Our code is publicly available at: https://github.com/j-min/VL-T5

Efficiently and flexibly estimating treatment effect heterogeneity is an important task in a wide variety of settings ranging from medicine to marketing, and there are a considerable number of promising conditional average treatment effect estimators currently available. These, however, typically rely on the assumption that the measured covariates are enough to justify conditional exchangeability. We propose the P-learner, motivated by the R- and DR-learner, a tailored two-stage loss function for learning heterogeneous treatment effects in settings where exchangeability given observed covariates is an implausible assumption, and we wish to rely on proxy variables for causal inference. Our proposed estimator can be implemented by off-the-shelf loss-minimizing machine learning methods, which in the case of kernel regression satisfies an oracle bound on the estimated error as long as the nuisance components are estimated reasonably well.

Continuous latent variables (LVs) are a key ingredient of many generative models, as they allow modelling expressive mixtures with an uncountable number of components. In contrast, probabilistic circuits (PCs) are hierarchical discrete mixtures represented as computational graphs composed of input, sum and product units. Unlike continuous LV models, PCs provide tractable inference but are limited to discrete LVs with categorical (i.e. unordered) states. We bridge these model classes by introducing probabilistic integral circuits (PICs), a new language of computational graphs that extends PCs with integral units representing continuous LVs. In the first place, PICs are symbolic computational graphs and are fully tractable in simple cases where analytical integration is possible. In practice, we parameterise PICs with light-weight neural nets delivering an intractable hierarchical continuous mixture that can be approximated arbitrarily well with large PCs using numerical quadrature. On several distribution estimation benchmarks, we show that such PIC-approximating PCs systematically outperform PCs commonly learned via expectation-maximization or SGD.

In many real-world applications, graph-structured data used for training and testing have differences in distribution, such as in high energy physics (HEP) where simulation data used for training may not match real experiments. Graph domain adaptation (GDA) is a method used to address these differences. However, current GDA primarily works by aligning the distributions of node representations output by a single graph neural network encoder shared across the training and testing domains, which may often yield sub-optimal solutions. This work examines different impacts of distribution shifts caused by either graph structure or node attributes and identifies a new type of shift, named conditional structure shift (CSS), which current GDA approaches are provably sub-optimal to deal with. A novel approach, called structural reweighting (StruRW), is proposed to address this issue and is tested on synthetic graphs, four benchmark datasets, and a new application in HEP. StruRW has shown significant performance improvement over the baselines in the settings with large graph structure shifts, and reasonable performance improvement when node attribute shift dominates.

Deep clustering, which learns representation and semantic clustering without labels information, poses a great challenge for deep learning-based approaches. Despite significant progress in recent years, most existing methods focus on uniformly distributed datasets, significantly limiting the practical applicability of their methods. In this paper, we propose a more practical problem setting named deep imbalanced clustering, where the underlying classes exhibit an imbalance distribution. To address this challenge, we introduce a novel optimal transport-based pseudo-label learning framework. Our framework formulates pseudo-label generation as a Semantic-regularized Progressive Partial Optimal Transport (SP^2OT) problem, which progressively transports each sample to imbalanced clusters under several prior distribution and semantic relation constraints, thus generating high-quality and imbalance-aware pseudo-labels. To solve SP^2OT, we develop a Majorization-Minimization-based optimization algorithm. To be more precise, we employ the strategy of majorization to reformulate the SP^2OT problem into a Progressive Partial Optimal Transport problem, which can be transformed into an unbalanced optimal transport problem with augmented constraints and can be solved efficiently by a fast matrix scaling algorithm. Experiments on various datasets, including a human-curated long-tailed CIFAR100, challenging ImageNet-R, and large-scale subsets of fine-grained iNaturalist2018 datasets, demonstrate the superiority of our method.

Simulation-based inference with conditional neural density estimators is a powerful approach to solving inverse problems in science. However, these methods typically treat the underlying forward model as a black box, with no way to exploit geometric properties such as equivariances. Equivariances are common in scientific models, however integrating them directly into expressive inference networks (such as normalizing flows) is not straightforward. We here describe an alternative method to incorporate equivariances under joint transformations of parameters and data. Our method -- called group equivariant neural posterior estimation (GNPE) -- is based on self-consistently standardizing the "pose" of the data while estimating the posterior over parameters. It is architecture-independent, and applies both to exact and approximate equivariances. As a real-world application, we use GNPE for amortized inference of astrophysical binary black hole systems from gravitational-wave observations. We show that GNPE achieves state-of-the-art accuracy while reducing inference times by three orders of magnitude.

We develop a method to generate predictive regions that cover a multivariate response variable with a user-specified probability. Our work is composed of two components. First, we use a deep generative model to learn a representation of the response that has a unimodal distribution. Existing multiple-output quantile regression approaches are effective in such cases, so we apply them on the learned representation, and then transform the solution to the original space of the response. This process results in a flexible and informative region that can have an arbitrary shape, a property that existing methods lack. Second, we propose an extension of conformal prediction to the multivariate response setting that modifies any method to return sets with a pre-specified coverage level. The desired coverage is theoretically guaranteed in the finite-sample case for any distribution. Experiments conducted on both real and synthetic data show that our method constructs regions that are significantly smaller compared to existing techniques.

Conformal prediction is a theoretically grounded framework for constructing predictive intervals. We study conformal prediction with missing values in the covariates -- a setting that brings new challenges to uncertainty quantification. We first show that the marginal coverage guarantee of conformal prediction holds on imputed data for any missingness distribution and almost all imputation functions. However, we emphasize that the average coverage varies depending on the pattern of missing values: conformal methods tend to construct prediction intervals that under-cover the response conditionally to some missing patterns. This motivates our novel generalized conformalized quantile regression framework, missing data augmentation, which yields prediction intervals that are valid conditionally to the patterns of missing values, despite their exponential number. We then show that a universally consistent quantile regression algorithm trained on the imputed data is Bayes optimal for the pinball risk, thus achieving valid coverage conditionally to any given data point. Moreover, we examine the case of a linear model, which demonstrates the importance of our proposal in overcoming the heteroskedasticity induced by missing values. Using synthetic and data from critical care, we corroborate our theory and report improved performance of our methods.

Detecting test samples drawn sufficiently far away from the training distribution statistically or adversarially is a fundamental requirement for deploying a good classifier in many real-world machine learning applications. However, deep neural networks with the softmax classifier are known to produce highly overconfident posterior distributions even for such abnormal samples. In this paper, we propose a simple yet effective method for detecting any abnormal samples, which is applicable to any pre-trained softmax neural classifier. We obtain the class conditional Gaussian distributions with respect to (low- and upper-level) features of the deep models under Gaussian discriminant analysis, which result in a confidence score based on the Mahalanobis distance. While most prior methods have been evaluated for detecting either out-of-distribution or adversarial samples, but not both, the proposed method achieves the state-of-the-art performances for both cases in our experiments. Moreover, we found that our proposed method is more robust in harsh cases, e.g., when the training dataset has noisy labels or small number of samples. Finally, we show that the proposed method enjoys broader usage by applying it to class-incremental learning: whenever out-of-distribution samples are detected, our classification rule can incorporate new classes well without further training deep models.

Datasets scraped from the internet have been critical to the successes of large-scale machine learning. Yet, this very success puts the utility of future internet-derived datasets at potential risk, as model outputs begin to replace human annotations as a source of supervision. In this work, we first formalize a system where interactions with one model are recorded as history and scraped as training data in the future. We then analyze its stability over time by tracking changes to a test-time bias statistic (e.g. gender bias of model predictions). We find that the degree of bias amplification is closely linked to whether the model's outputs behave like samples from the training distribution, a behavior which we characterize and define as consistent calibration. Experiments in three conditional prediction scenarios - image classification, visual role-labeling, and language generation - demonstrate that models that exhibit a sampling-like behavior are more calibrated and thus more stable. Based on this insight, we propose an intervention to help calibrate and stabilize unstable feedback systems. Code is available at https://github.com/rtaori/data_feedback.

There is a growing gap between the impressive results of deep image generative models and classical algorithms that offer theoretical guarantees. The former suffer from mode collapse or memorization issues, limiting their application to scientific data. The latter require restrictive assumptions such as log-concavity to escape the curse of dimensionality. We partially bridge this gap by introducing conditionally strongly log-concave (CSLC) models, which factorize the data distribution into a product of conditional probability distributions that are strongly log-concave. This factorization is obtained with orthogonal projectors adapted to the data distribution. It leads to efficient parameter estimation and sampling algorithms, with theoretical guarantees, although the data distribution is not globally log-concave. We show that several challenging multiscale processes are conditionally log-concave using wavelet packet orthogonal projectors. Numerical results are shown for physical fields such as the varphi^4 model and weak lensing convergence maps with higher resolution than in previous works.

Moment restrictions and their conditional counterparts emerge in many areas of machine learning and statistics ranging from causal inference to reinforcement learning. Estimators for these tasks, generally called methods of moments, include the prominent generalized method of moments (GMM) which has recently gained attention in causal inference. GMM is a special case of the broader family of empirical likelihood estimators which are based on approximating a population distribution by means of minimizing a varphi-divergence to an empirical distribution. However, the use of varphi-divergences effectively limits the candidate distributions to reweightings of the data samples. We lift this long-standing limitation and provide a method of moments that goes beyond data reweighting. This is achieved by defining an empirical likelihood estimator based on maximum mean discrepancy which we term the kernel method of moments (KMM). We provide a variant of our estimator for conditional moment restrictions and show that it is asymptotically first-order optimal for such problems. Finally, we show that our method achieves competitive performance on several conditional moment restriction tasks.

Selecting informative data points for expert feedback can significantly improve the performance of anomaly detection (AD) in various contexts, such as medical diagnostics or fraud detection. In this paper, we determine a set of theoretical conditions under which anomaly scores generalize from labeled queries to unlabeled data. Motivated by these results, we propose a data labeling strategy with optimal data coverage under labeling budget constraints. In addition, we propose a new learning framework for semi-supervised AD. Extensive experiments on image, tabular, and video data sets show that our approach results in state-of-the-art semi-supervised AD performance under labeling budget constraints.

Implicit feedback data is extensively explored in recommendation as it is easy to collect and generally applicable. However, predicting users' preference on implicit feedback data is a challenging task since we can only observe positive (voted) samples and unvoted samples. It is difficult to distinguish between the negative samples and unlabeled positive samples from the unvoted ones. Existing works, such as Bayesian Personalized Ranking (BPR), sample unvoted items as negative samples uniformly, therefore suffer from a critical noisy-label issue. To address this gap, we design an adaptive sampler based on noisy-label robust learning for implicit feedback data. To formulate the issue, we first introduce Bayesian Point-wise Optimization (BPO) to learn a model, e.g., Matrix Factorization (MF), by maximum likelihood estimation. We predict users' preferences with the model and learn it by maximizing likelihood of observed data labels, i.e., a user prefers her positive samples and has no interests in her unvoted samples. However, in reality, a user may have interests in some of her unvoted samples, which are indeed positive samples mislabeled as negative ones. We then consider the risk of these noisy labels, and propose a Noisy-label Robust BPO (NBPO). NBPO also maximizes the observation likelihood while connects users' preference and observed labels by the likelihood of label flipping based on the Bayes' theorem. In NBPO, a user prefers her true positive samples and shows no interests in her true negative samples, hence the optimization quality is dramatically improved. Extensive experiments on two public real-world datasets show the significant improvement of our proposed optimization methods.

Minibatch optimal transport coupling straightens paths in unconditional flow matching. This leads to computationally less demanding inference as fewer integration steps and less complex numerical solvers can be employed when numerically solving an ordinary differential equation at test time. However, in the conditional setting, minibatch optimal transport falls short. This is because the default optimal transport mapping disregards conditions, resulting in a conditionally skewed prior distribution during training. In contrast, at test time, we have no access to the skewed prior, and instead sample from the full, unbiased prior distribution. This gap between training and testing leads to a subpar performance. To bridge this gap, we propose conditional optimal transport C^2OT that adds a conditional weighting term in the cost matrix when computing the optimal transport assignment. Experiments demonstrate that this simple fix works with both discrete and continuous conditions in 8gaussians-to-moons, CIFAR-10, ImageNet-32x32, and ImageNet-256x256. Our method performs better overall compared to the existing baselines across different function evaluation budgets. Code is available at https://hkchengrex.github.io/C2OT

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

In this work, we introduce ChemBFN, a language model that handles chemistry tasks based on Bayesian flow networks working on discrete data. A new accuracy schedule is proposed to improve the sampling quality by significantly reducing the reconstruction loss. We show evidence that our method is appropriate for generating molecules with satisfied diversity even when a smaller number of sampling steps is used. A classifier-free guidance method is adapted for conditional generation. It is also worthwhile to point out that after generative training, our model can be fine-tuned on regression and classification tasks with the state-of-the-art performance, which opens the gate of building all-in-one models in a single module style. Our model has been open sourced at https://github.com/Augus1999/bayesian-flow-network-for-chemistry.

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.

Transfer learning with a small amount of target data is an effective and common approach to adapting a pre-trained model to distribution shifts. In some situations, target data labels may be expensive to obtain, so we may only have access to a limited number of target data points. To make the most of a very small target dataset, we propose a lightweight, sample-efficient approach that learns a diverse set of features and adapts to a target distribution by interpolating these features. Our approach, Project and Probe (Pro^2), first learns a linear projection that maps a pre-trained embedding onto orthogonal directions while being predictive of labels in the source dataset. The goal of this step is to learn a variety of predictive features, so that at least some of them remain useful after distribution shift. Pro^2 then learns a linear classifier on top of these projected features using a small target dataset. Theoretically, we find that Pro^2 results in more sample-efficient generalization by inducing a favorable bias-variance tradeoff. Our experiments on four datasets, with multiple distribution shift settings for each, show that Pro^2 improves performance by 5-15% when given limited target data compared to prior methods such as standard linear probing.

Recent advancements in generative modeling have made it possible to generate high-quality content from context information, but a key question remains: how to teach models to know when to generate content? To answer this question, this study proposes a novel event generative model that draws its statistical intuition from marked temporal point processes, and offers a clean, flexible, and computationally efficient solution for a wide range of applications involving multi-dimensional marks. We aim to capture the distribution of the point process without explicitly specifying the conditional intensity or probability density. Instead, we use a conditional generator that takes the history of events as input and generates the high-quality subsequent event that is likely to occur given the prior observations. The proposed framework offers a host of benefits, including exceptional efficiency in learning the model and generating samples, as well as considerable representational power to capture intricate dynamics in multi- or even high-dimensional event space. Our numerical results demonstrate superior performance compared to other state-of-the-art baselines.

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.

Given time series data, how can we answer questions like "what will happen in the future?" and "how did we get here?" These sorts of probabilistic inference questions are challenging when observations are high-dimensional. In this paper, we show how these questions can have compact, closed form solutions in terms of learned representations. The key idea is to apply a variant of contrastive learning to time series data. Prior work already shows that the representations learned by contrastive learning encode a probability ratio. By extending prior work to show that the marginal distribution over representations is Gaussian, we can then prove that joint distribution of representations is also Gaussian. Taken together, these results show that representations learned via temporal contrastive learning follow a Gauss-Markov chain, a graphical model where inference (e.g., prediction, planning) over representations corresponds to inverting a low-dimensional matrix. In one special case, inferring intermediate representations will be equivalent to interpolating between the learned representations. We validate our theory using numerical simulations on tasks up to 46-dimensions.

Multi-Label Text Classification (MLTC) aims to assign the most relevant labels to each given text. Existing methods demonstrate that label dependency can help to improve the model's performance. However, the introduction of label dependency may cause the model to suffer from unwanted prediction bias. In this study, we attribute the bias to the model's misuse of label dependency, i.e., the model tends to utilize the correlation shortcut in label dependency rather than fusing text information and label dependency for prediction. Motivated by causal inference, we propose a CounterFactual Text Classifier (CFTC) to eliminate the correlation bias, and make causality-based predictions. Specifically, our CFTC first adopts the predict-then-modify backbone to extract precise label information embedded in label dependency, then blocks the correlation shortcut through the counterfactual de-bias technique with the help of the human causal graph. Experimental results on three datasets demonstrate that our CFTC significantly outperforms the baselines and effectively eliminates the correlation bias in datasets.

Floods wreak havoc throughout the world, causing billions of dollars in damages, and uprooting communities, ecosystems and economies. The NASA Impact Flood Detection competition tasked participants with predicting flooded pixels after training with synthetic aperture radar (SAR) images in a supervised setting. We propose a semi-supervised learning pseudo-labeling scheme that derives confidence estimates from U-Net ensembles, progressively improving accuracy. Concretely, we use a cyclical approach involving multiple stages (1) training an ensemble model of multiple U-Net architectures with the provided high confidence hand-labeled data and, generated pseudo labels or low confidence labels on the entire unlabeled test dataset, and then, (2) filter out quality generated labels and, (3) combine the generated labels with the previously available high confidence hand-labeled dataset. This assimilated dataset is used for the next round of training ensemble models and the cyclical process is repeated until the performance improvement plateaus. We post process our results with Conditional Random Fields. Our approach sets a new state-of-the-art on the Sentinel-1 dataset with 0.7654 IoU, an impressive improvement over the 0.60 IoU baseline. Our method, which we release with all the code and models, can also be used as an open science benchmark for the Sentinel-1 dataset.

This article presents Individual Conditional Expectation (ICE) plots, a tool for visualizing the model estimated by any supervised learning algorithm. Classical partial dependence plots (PDPs) help visualize the average partial relationship between the predicted response and one or more features. In the presence of substantial interaction effects, the partial response relationship can be heterogeneous. Thus, an average curve, such as the PDP, can obfuscate the complexity of the modeled relationship. Accordingly, ICE plots refine the partial dependence plot by graphing the functional relationship between the predicted response and the feature for individual observations. Specifically, ICE plots highlight the variation in the fitted values across the range of a covariate, suggesting where and to what extent heterogeneities might exist. In addition to providing a plotting suite for exploratory analysis, we include a visual test for additive structure in the data generating model. Through simulated examples and real data sets, we demonstrate how ICE plots can shed light on estimated models in ways PDPs cannot. Procedures outlined are available in the R package ICEbox.

We introduce a new visual-interactive tool: Explainable Labeling Assistant (XLabel) that takes an explainable machine learning approach to data labeling. The main component of XLabel is the Explainable Boosting Machine (EBM), a predictive model that can calculate the contribution of each input feature towards the final prediction. As a case study, we use XLabel to predict the labels of four non-communicable diseases (NCDs): diabetes, hypertension, chronic kidney disease, and dyslipidemia. We demonstrate that EBM is an excellent choice of predictive model by comparing it against a rule-based and four other machine learning models. By performing 5-fold cross-validation on 427 medical records, EBM's prediction accuracy, precision, and F1-score are greater than 0.95 in all four NCDs. It performed as well as two black-box models and outperformed the other models in these metrics. In an additional experiment, when 40% of the records were intentionally mislabeled, EBM could recall the correct labels of more than 90% of these records.

This paper concerns the problem of aligning samples from large language models to human preferences using best-of-n sampling, where we draw n samples, rank them, and return the best one. We consider two fundamental problems. First: what is the relationship between best-of-n and approaches to alignment that train LLMs to output samples with a high expected reward (e.g., RLHF or DPO)? To answer this, we embed both the best-of-n distribution and the sampling distributions learned by alignment procedures in a common class of tiltings of the base LLM distribution. We then show that, within this class, best-of-n is essentially optimal in terms of the trade-off between win-rate against the base model vs KL distance from the base model. That is, best-of-n is the best choice of alignment distribution if the goal is to maximize win rate. However, best-of-n requires drawing n samples for each inference, a substantial cost. To avoid this, the second problem we consider is how to fine-tune a LLM to mimic the best-of-n sampling distribution. We derive BoNBoN Alignment to achieve this by exploiting the special structure of the best-of-n distribution. Experiments show that BoNBoN alignment yields substantial improvements in producing a model that is preferred to the base policy while minimally affecting off-target aspects.

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 define a probabilistic programming language for Gaussian random variables with a first-class exact conditioning construct. We give operational, denotational and equational semantics for this language, establishing convenient properties like exchangeability of conditions. Conditioning on equality of continuous random variables is nontrivial, as the exact observation may have probability zero; this is Borel's paradox. Using categorical formulations of conditional probability, we show that the good properties of our language are not particular to Gaussians, but can be derived from universal properties, thus generalizing to wider settings. We define the Cond construction, which internalizes conditioning as a morphism, providing general compositional semantics for probabilistic programming with exact conditioning.

Conditional computing processes an input using only part of the neural network's computational units. Learning to execute parts of a deep convolutional network by routing individual samples has several advantages: Reducing the computational burden is an obvious advantage. Furthermore, if similar classes are routed to the same path, that part of the network learns to discriminate between finer differences and better classification accuracies can be attained with fewer parameters. Recently, several papers have exploited this idea to take a particular child of a node in a tree-shaped network or to skip parts of a network. In this work, we follow a Trellis-based approach for generating specific execution paths in a deep convolutional neural network. We have designed routing mechanisms that use differentiable information gain-based cost functions to determine which subset of features in a convolutional layer will be executed. We call our method Conditional Information Gain Trellis (CIGT). We show that our conditional execution mechanism achieves comparable or better model performance compared to unconditional baselines, using only a fraction of the computational resources.

Test-time adaptation (TTA) aims to adapt a pre-trained model to the target domain in a batch-by-batch manner during inference. While label distributions often exhibit imbalances in real-world scenarios, most previous TTA approaches typically assume that both source and target domain datasets have balanced label distribution. Due to the fact that certain classes appear more frequently in certain domains (e.g., buildings in cities, trees in forests), it is natural that the label distribution shifts as the domain changes. However, we discover that the majority of existing TTA methods fail to address the coexistence of covariate and label shifts. To tackle this challenge, we propose a novel label shift adapter that can be incorporated into existing TTA approaches to deal with label shifts during the TTA process effectively. Specifically, we estimate the label distribution of the target domain to feed it into the label shift adapter. Subsequently, the label shift adapter produces optimal parameters for the target label distribution. By predicting only the parameters for a part of the pre-trained source model, our approach is computationally efficient and can be easily applied, regardless of the model architectures. Through extensive experiments, we demonstrate that integrating our strategy with TTA approaches leads to substantial performance improvements under the joint presence of label and covariate shifts.

Kernel methods are widely used in machine learning, especially for classification problems. However, the theoretical analysis of kernel classification is still limited. This paper investigates the statistical performances of kernel classifiers. With some mild assumptions on the conditional probability eta(x)=P(Y=1mid X=x), we derive an upper bound on the classification excess risk of a kernel classifier using recent advances in the theory of kernel regression. We also obtain a minimax lower bound for Sobolev spaces, which shows the optimality of the proposed classifier. Our theoretical results can be extended to the generalization error of overparameterized neural network classifiers. To make our theoretical results more applicable in realistic settings, we also propose a simple method to estimate the interpolation smoothness of 2eta(x)-1 and apply the method to real datasets.

Diffusion probabilistic models (DPMs) have become the state-of-the-art in high-quality image generation. However, DPMs have an arbitrary noisy latent space with no interpretable or controllable semantics. Although there has been significant research effort to improve image sample quality, there is little work on representation-controlled generation using diffusion models. Specifically, causal modeling and controllable counterfactual generation using DPMs is an underexplored area. In this work, we propose CausalDiffAE, a diffusion-based causal representation learning framework to enable counterfactual generation according to a specified causal model. Our key idea is to use an encoder to extract high-level semantically meaningful causal variables from high-dimensional data and model stochastic variation using reverse diffusion. We propose a causal encoding mechanism that maps high-dimensional data to causally related latent factors and parameterize the causal mechanisms among latent factors using neural networks. To enforce the disentanglement of causal variables, we formulate a variational objective and leverage auxiliary label information in a prior to regularize the latent space. We propose a DDIM-based counterfactual generation procedure subject to do-interventions. Finally, to address the limited label supervision scenario, we also study the application of CausalDiffAE when a part of the training data is unlabeled, which also enables granular control over the strength of interventions in generating counterfactuals during inference. We empirically show that CausalDiffAE learns a disentangled latent space and is capable of generating high-quality counterfactual images.

We introduce a new framework for sample-efficient model evaluation that we call active testing. While approaches like active learning reduce the number of labels needed for model training, existing literature largely ignores the cost of labeling test data, typically unrealistically assuming large test sets for model evaluation. This creates a disconnect to real applications, where test labels are important and just as expensive, e.g. for optimizing hyperparameters. Active testing addresses this by carefully selecting the test points to label, ensuring model evaluation is sample-efficient. To this end, we derive theoretically-grounded and intuitive acquisition strategies that are specifically tailored to the goals of active testing, noting these are distinct to those of active learning. As actively selecting labels introduces a bias; we further show how to remove this bias while reducing the variance of the estimator at the same time. Active testing is easy to implement and can be applied to any supervised machine learning method. We demonstrate its effectiveness on models including WideResNets and Gaussian processes on datasets including Fashion-MNIST and CIFAR-100.

Recently, a myriad of conditional image generation and editing models have been developed to serve different downstream tasks, including text-to-image generation, text-guided image editing, subject-driven image generation, control-guided image generation, etc. However, we observe huge inconsistencies in experimental conditions: datasets, inference, and evaluation metrics - render fair comparisons difficult. This paper proposes ImagenHub, which is a one-stop library to standardize the inference and evaluation of all the conditional image generation models. Firstly, we define seven prominent tasks and curate high-quality evaluation datasets for them. Secondly, we built a unified inference pipeline to ensure fair comparison. Thirdly, we design two human evaluation scores, i.e. Semantic Consistency and Perceptual Quality, along with comprehensive guidelines to evaluate generated images. We train expert raters to evaluate the model outputs based on the proposed metrics. Our human evaluation achieves a high inter-worker agreement of Krippendorff's alpha on 76% models with a value higher than 0.4. We comprehensively evaluated a total of around 30 models and observed three key takeaways: (1) the existing models' performance is generally unsatisfying except for Text-guided Image Generation and Subject-driven Image Generation, with 74% models achieving an overall score lower than 0.5. (2) we examined the claims from published papers and found 83% of them hold with a few exceptions. (3) None of the existing automatic metrics has a Spearman's correlation higher than 0.2 except subject-driven image generation. Moving forward, we will continue our efforts to evaluate newly published models and update our leaderboard to keep track of the progress in conditional image generation.

Semi-supervised learning (SSL) tackles the label missing problem by enabling the effective usage of unlabeled data. While existing SSL methods focus on the traditional setting, a practical and challenging scenario called label Missing Not At Random (MNAR) is usually ignored. In MNAR, the labeled and unlabeled data fall into different class distributions resulting in biased label imputation, which deteriorates the performance of SSL models. In this work, class transition tracking based Pseudo-Rectifying Guidance (PRG) is devised for MNAR. We explore the class-level guidance information obtained by the Markov random walk, which is modeled on a dynamically created graph built over the class tracking matrix. PRG unifies the historical information of class distribution and class transitions caused by the pseudo-rectifying procedure to maintain the model's unbiased enthusiasm towards assigning pseudo-labels to all classes, so as the quality of pseudo-labels on both popular classes and rare classes in MNAR could be improved. Finally, we show the superior performance of PRG across a variety of MNAR scenarios, outperforming the latest SSL approaches combining bias removal solutions by a large margin. Code and model weights are available at https://github.com/NJUyued/PRG4SSL-MNAR.

Given a set of K probability densities, we consider the multimarginal generative modeling problem of learning a joint distribution that recovers these densities as marginals. The structure of this joint distribution should identify multi-way correspondences among the prescribed marginals. We formalize an approach to this task within a generalization of the stochastic interpolant framework, leading to efficient learning algorithms built upon dynamical transport of measure. Our generative models are defined by velocity and score fields that can be characterized as the minimizers of simple quadratic objectives, and they are defined on a simplex that generalizes the time variable in the usual dynamical transport framework. The resulting transport on the simplex is influenced by all marginals, and we show that multi-way correspondences can be extracted. The identification of such correspondences has applications to style transfer, algorithmic fairness, and data decorruption. In addition, the multimarginal perspective enables an efficient algorithm for reducing the dynamical transport cost in the ordinary two-marginal setting. We demonstrate these capacities with several numerical examples.

We propose a new localized inference algorithm for answering marginalization queries in large graphical models with the correlation decay property. Given a query variable and a large graphical model, we define a much smaller model in a local region around the query variable in the target model so that the marginal distribution of the query variable can be accurately approximated. We introduce two approximation error bounds based on the Dobrushin's comparison theorem and apply our bounds to derive a greedy expansion algorithm that efficiently guides the selection of neighbor nodes for localized inference. We verify our theoretical bounds on various datasets and demonstrate that our localized inference algorithm can provide fast and accurate approximation for large graphical models.

Classifier-free guidance has become a staple for conditional generation with denoising diffusion models. However, a comprehensive understanding of classifier-free guidance is still missing. In this work, we carry out an empirical study to provide a fresh perspective on classifier-free guidance. Concretely, instead of solely focusing on classifier-free guidance, we trace back to the root, i.e., classifier guidance, pinpoint the key assumption for the derivation, and conduct a systematic study to understand the role of the classifier. We find that both classifier guidance and classifier-free guidance achieve conditional generation by pushing the denoising diffusion trajectories away from decision boundaries, i.e., areas where conditional information is usually entangled and is hard to learn. Based on this classifier-centric understanding, we propose a generic postprocessing step built upon flow-matching to shrink the gap between the learned distribution for a pre-trained denoising diffusion model and the real data distribution, majorly around the decision boundaries. Experiments on various datasets verify the effectiveness of the proposed approach.

Selecting high-quality data for pre-training is crucial in shaping the downstream task performance of language models. A major challenge lies in identifying this optimal subset, a problem generally considered intractable, thus necessitating scalable and effective heuristics. In this work, we propose a data selection method, CoLoR-Filter (Conditional Loss Reduction Filtering), which leverages an empirical Bayes-inspired approach to derive a simple and computationally efficient selection criterion based on the relative loss values of two auxiliary models. In addition to the modeling rationale, we evaluate CoLoR-Filter empirically on two language modeling tasks: (1) selecting data from C4 for domain adaptation to evaluation on Books and (2) selecting data from C4 for a suite of downstream multiple-choice question answering tasks. We demonstrate favorable scaling both as we subselect more aggressively and using small auxiliary models to select data for large target models. As one headline result, CoLoR-Filter data selected using a pair of 150m parameter auxiliary models can train a 1.2b parameter target model to match a 1.2b parameter model trained on 25b randomly selected tokens with 25x less data for Books and 11x less data for the downstream tasks. Code: https://github.com/davidbrandfonbrener/color-filter-olmo Filtered data: https://huggingface.co/datasets/davidbrandfonbrener/color-filtered-c4

Noisy partial label learning (noisy PLL) is an important branch of weakly supervised learning. Unlike PLL where the ground-truth label must conceal in the candidate label set, noisy PLL relaxes this constraint and allows the ground-truth label may not be in the candidate label set. To address this challenging problem, most of the existing works attempt to detect noisy samples and estimate the ground-truth label for each noisy sample. However, detection errors are unavoidable. These errors can accumulate during training and continuously affect model optimization. To this end, we propose a novel framework for noisy PLL with theoretical guarantees, called ``Adjusting Label Importance Mechanism (ALIM)''. It aims to reduce the negative impact of detection errors by trading off the initial candidate set and model outputs. ALIM is a plug-in strategy that can be integrated with existing PLL approaches. Experimental results on benchmark datasets demonstrate that our method can achieve state-of-the-art performance on noisy PLL. \textcolor[rgb]{0.93,0.0,0.47}{Our code can be found in Supplementary Material}.

We extend our previous work on Inductive Conformal Prediction (ICP) for multi-label text classification and present a novel approach for addressing the computational inefficiency of the Label Powerset (LP) ICP, arrising when dealing with a high number of unique labels. We present experimental results using the original and the proposed efficient LP-ICP on two English and one Czech language data-sets. Specifically, we apply the LP-ICP on three deep Artificial Neural Network (ANN) classifiers of two types: one based on contextualised (bert) and two on non-contextualised (word2vec) word-embeddings. In the LP-ICP setting we assign nonconformity scores to label-sets from which the corresponding p-values and prediction-sets are determined. Our approach deals with the increased computational burden of LP by eliminating from consideration a significant number of label-sets that will surely have p-values below the specified significance level. This reduces dramatically the computational complexity of the approach while fully respecting the standard CP guarantees. Our experimental results show that the contextualised-based classifier surpasses the non-contextualised-based ones and obtains state-of-the-art performance for all data-sets examined. The good performance of the underlying classifiers is carried on to their ICP counterparts without any significant accuracy loss, but with the added benefits of ICP, i.e. the confidence information encapsulated in the prediction sets. We experimentally demonstrate that the resulting prediction sets can be tight enough to be practically useful even though the set of all possible label-sets contains more than 1e+16 combinations. Additionally, the empirical error rates of the obtained prediction-sets confirm that our outputs are well-calibrated.

Machine learning models -- including prominent zero-shot models -- are often trained on datasets whose labels are only a small proportion of a larger label space. Such spaces are commonly equipped with a metric that relates the labels via distances between them. We propose a simple approach to exploit this information to adapt the trained model to reliably predict new classes -- or, in the case of zero-shot prediction, to improve its performance -- without any additional training. Our technique is a drop-in replacement of the standard prediction rule, swapping argmax with the Fr\'echet mean. We provide a comprehensive theoretical analysis for this approach, studying (i) learning-theoretic results trading off label space diameter, sample complexity, and model dimension, (ii) characterizations of the full range of scenarios in which it is possible to predict any unobserved class, and (iii) an optimal active learning-like next class selection procedure to obtain optimal training classes for when it is not possible to predict the entire range of unobserved classes. Empirically, using easily-available external metrics, our proposed approach, Loki, gains up to 29.7% relative improvement over SimCLR on ImageNet and scales to hundreds of thousands of classes. When no such metric is available, Loki can use self-derived metrics from class embeddings and obtains a 10.5% improvement on pretrained zero-shot models such as CLIP.

Label noise is one of the key factors that lead to the poor generalization of deep learning models. Existing label-noise learning methods usually assume that the ground-truth classes of the training data are balanced. However, the real-world data is often imbalanced, leading to the inconsistency between observed and intrinsic class distribution with label noises. In this case, it is hard to distinguish clean samples from noisy samples on the intrinsic tail classes with the unknown intrinsic class distribution. In this paper, we propose a learning framework for label-noise learning with intrinsically long-tailed data. Specifically, we propose two-stage bi-dimensional sample selection (TABASCO) to better separate clean samples from noisy samples, especially for the tail classes. TABASCO consists of two new separation metrics that complement each other to compensate for the limitation of using a single metric in sample separation. Extensive experiments on benchmarks demonstrate the effectiveness of our method. Our code is available at https://github.com/Wakings/TABASCO.

Recent advances in reinforcement learning (RL)-based post-training have led to notable improvements in large language models (LLMs), particularly in enhancing their reasoning capabilities to handle complex tasks. However, most existing methods treat the training data as a unified whole, overlooking the fact that modern LLM training often involves a mixture of data from diverse distributions-varying in both source and difficulty. This heterogeneity introduces a key challenge: how to adaptively schedule training across distributions to optimize learning efficiency. In this paper, we present a principled curriculum learning framework grounded in the notion of distribution-level learnability. Our core insight is that the magnitude of policy advantages reflects how much a model can still benefit from further training on a given distribution. Based on this, we propose a distribution-level curriculum learning framework for RL-based LLM post-training, which leverages the Upper Confidence Bound (UCB) principle to dynamically adjust sampling probabilities for different distrubutions. This approach prioritizes distributions with either high average advantage (exploitation) or low sample count (exploration), yielding an adaptive and theoretically grounded training schedule. We instantiate our curriculum learning framework with GRPO as the underlying RL algorithm and demonstrate its effectiveness on logic reasoning datasets with multiple difficulties and sources. Our experiments show that our framework significantly improves convergence speed and final performance, highlighting the value of distribution-aware curriculum strategies in LLM post-training. Code: https://github.com/ZhentingWang/DUMP.

Recent advances in semi-supervised object detection (SSOD) are largely driven by consistency-based pseudo-labeling methods for image classification tasks, producing pseudo labels as supervisory signals. However, when using pseudo labels, there is a lack of consideration in localization precision and amplified class imbalance, both of which are critical for detection tasks. In this paper, we introduce certainty-aware pseudo labels tailored for object detection, which can effectively estimate the classification and localization quality of derived pseudo labels. This is achieved by converting conventional localization as a classification task followed by refinement. Conditioned on classification and localization quality scores, we dynamically adjust the thresholds used to generate pseudo labels and reweight loss functions for each category to alleviate the class imbalance problem. Extensive experiments demonstrate that our method improves state-of-the-art SSOD performance by 1-2% AP on COCO and PASCAL VOC while being orthogonal and complementary to most existing methods. In the limited-annotation regime, our approach improves supervised baselines by up to 10% AP using only 1-10% labeled data from COCO.

We study the problem of estimating the distribution of the return of a policy using an offline dataset that is not generated from the policy, i.e., distributional offline policy evaluation (OPE). We propose an algorithm called Fitted Likelihood Estimation (FLE), which conducts a sequence of Maximum Likelihood Estimation (MLE) and has the flexibility of integrating any state-of-the-art probabilistic generative models as long as it can be trained via MLE. FLE can be used for both finite-horizon and infinite-horizon discounted settings where rewards can be multi-dimensional vectors. Our theoretical results show that for both finite-horizon and infinite-horizon discounted settings, FLE can learn distributions that are close to the ground truth under total variation distance and Wasserstein distance, respectively. Our theoretical results hold under the conditions that the offline data covers the test policy's traces and that the supervised learning MLE procedures succeed. Experimentally, we demonstrate the performance of FLE with two generative models, Gaussian mixture models and diffusion models. For the multi-dimensional reward setting, FLE with diffusion models is capable of estimating the complicated distribution of the return of a test policy.

In the domain of medical imaging, many supervised learning based methods for segmentation face several challenges such as high variability in annotations from multiple experts, paucity of labelled data and class imbalanced datasets. These issues may result in segmentations that lack the requisite precision for clinical analysis and can be misleadingly overconfident without associated uncertainty quantification. We propose the PULASki for biomedical image segmentation that accurately captures variability in expert annotations, even in small datasets. Our approach makes use of an improved loss function based on statistical distances in a conditional variational autoencoder structure (Probabilistic UNet), which improves learning of the conditional decoder compared to the standard cross-entropy particularly in class imbalanced problems. We analyse our method for two structurally different segmentation tasks (intracranial vessel and multiple sclerosis (MS) lesion) and compare our results to four well-established baselines in terms of quantitative metrics and qualitative output. Empirical results demonstrate the PULASKi method outperforms all baselines at the 5\% significance level. The generated segmentations are shown to be much more anatomically plausible than in the 2D case, particularly for the vessel task. Our method can also be applied to a wide range of multi-label segmentation tasks and and is useful for downstream tasks such as hemodynamic modelling (computational fluid dynamics and data assimilation), clinical decision making, and treatment planning.

Recent studies have shown how disentangling images into content and feature spaces can provide controllable image translation/ manipulation. In this paper, we propose a framework to enable utilizing discrete multi-labels to control which features to be disentangled, i.e., disentangling label-specific fine-grained features for image manipulation (dubbed DLGAN). By mapping the discrete label-specific attribute features into a continuous prior distribution, we leverage the advantages of both discrete labels and reference images to achieve image manipulation in a hybrid fashion. For example, given a face image dataset (e.g., CelebA) with multiple discrete fine-grained labels, we can learn to smoothly interpolate a face image between black hair and blond hair through reference images while immediately controlling the gender and age through discrete input labels. To the best of our knowledge, this is the first work that realizes such a hybrid manipulation within a single model. More importantly, it is the first work to achieve image interpolation between two different domains without requiring continuous labels as the supervision. Qualitative and quantitative experiments demonstrate the effectiveness of the proposed method.

Binary classification involves predicting the label of an instance based on whether the model score for the positive class exceeds a threshold chosen based on the application requirements (e.g., maximizing recall for a precision bound). However, model scores are often not aligned with the true positivity rate. This is especially true when the training involves a differential sampling across classes or there is distributional drift between train and test settings. In this paper, we provide theoretical analysis and empirical evidence of the dependence of model score estimation bias on both uncertainty and score itself. Further, we formulate the decision boundary selection in terms of both model score and uncertainty, prove that it is NP-hard, and present algorithms based on dynamic programming and isotonic regression. Evaluation of the proposed algorithms on three real-world datasets yield 25%-40% gain in recall at high precision bounds over the traditional approach of using model score alone, highlighting the benefits of leveraging uncertainty.

We consider the two related problems of detecting if an example is misclassified or out-of-distribution. We present a simple baseline that utilizes probabilities from softmax distributions. Correctly classified examples tend to have greater maximum softmax probabilities than erroneously classified and out-of-distribution examples, allowing for their detection. We assess performance by defining several tasks in computer vision, natural language processing, and automatic speech recognition, showing the effectiveness of this baseline across all. We then show the baseline can sometimes be surpassed, demonstrating the room for future research on these underexplored detection tasks.

Because anomalous samples cannot be used for training, many anomaly detection and localization methods use pre-trained networks and non-parametric modeling to estimate encoded feature distribution. However, these methods neglect the impact of position and neighborhood information on the distribution of normal features. To overcome this, we propose a new algorithm, PNI, which estimates the normal distribution using conditional probability given neighborhood features, modeled with a multi-layer perceptron network. Moreover, position information is utilized by creating a histogram of representative features at each position. Instead of simply resizing the anomaly map, the proposed method employs an additional refine network trained on synthetic anomaly images to better interpolate and account for the shape and edge of the input image. We conducted experiments on the MVTec AD benchmark dataset and achieved state-of-the-art performance, with 99.56\% and 98.98\% AUROC scores in anomaly detection and localization, respectively.

Optimal Transport (OT) has fueled machine learning (ML) across many domains. When paired data measurements (mu, nu) are coupled to covariates, a challenging conditional distribution learning setting arises. Existing approaches for learning a global transport map parameterized through a potentially unseen context utilize Neural OT and largely rely on Brenier's theorem. Here, we propose a first-of-its-kind quantum computing formulation for amortized optimization of contextualized transportation plans. We exploit a direct link between doubly stochastic matrices and unitary operators thus unravelling a natural connection between OT and quantum computation. We verify our method (QontOT) on synthetic and real data by predicting variations in cell type distributions conditioned on drug dosage. Importantly we conduct a 24-qubit hardware experiment on a task challenging for classical computers and report a performance that cannot be matched with our classical neural OT approach. In sum, this is a first step toward learning to predict contextualized transportation plans through quantum computing.

Multi-label classification (MLC) suffers from the inevitable label noise in training data due to the difficulty in annotating various semantic labels in each image. To mitigate the influence of noisy labels, existing methods mainly devote to identifying and correcting the label mistakes via a trained MLC model. However, these methods still involve annoying noisy labels in training, which can result in imprecise recognition of noisy labels and weaken the performance. In this paper, considering that the negative labels are substantially more than positive labels, and most noisy labels are from the negative labels, we directly discard all the negative labels in the dataset, and propose a new method dubbed positive and unlabeled multi-label classification (PU-MLC). By extending positive-unlabeled learning into MLC task, our method trains model with only positive labels and unlabeled data, and introduces adaptive re-balance factor and adaptive temperature coefficient in the loss function to alleviate the catastrophic imbalance in label distribution and over-smoothing of probabilities in training. Furthermore, to capture both local and global dependencies in the image, we also introduce a local-global convolution module, which supplements global information into existing convolution layers with no retraining of backbone required. Our PU-MLC is simple and effective, and it is applicable to both MLC and MLC with partial labels (MLC-PL) tasks. Extensive experiments on MS-COCO and PASCAL VOC datasets demonstrate that our PU-MLC achieves significantly improvements on both MLC and MLC-PL settings with even fewer annotations. Code will be released.

Aligning generated images to complicated text prompts and human preferences is a central challenge in Artificial Intelligence-Generated Content (AIGC). With reward-enhanced diffusion distillation emerging as a promising approach that boosts controllability and fidelity of text-to-image models, we identify a fundamental paradigm shift: as conditions become more specific and reward signals stronger, the rewards themselves become the dominant force in generation. In contrast, the diffusion losses serve as an overly expensive form of regularization. To thoroughly validate our hypothesis, we introduce R0, a novel conditional generation approach via regularized reward maximization. Instead of relying on tricky diffusion distillation losses, R0 proposes a new perspective that treats image generations as an optimization problem in data space which aims to search for valid images that have high compositional rewards. By innovative designs of the generator parameterization and proper regularization techniques, we train state-of-the-art few-step text-to-image generative models with R0 at scales. Our results challenge the conventional wisdom of diffusion post-training and conditional generation by demonstrating that rewards play a dominant role in scenarios with complex conditions. We hope our findings can contribute to further research into human-centric and reward-centric generation paradigms across the broader field of AIGC. Code is available at https://github.com/Luo-Yihong/R0.

Safe deployment of graph neural networks (GNNs) under distribution shift requires models to provide accurate confidence indicators (CI). However, while it is well-known in computer vision that CI quality diminishes under distribution shift, this behavior remains understudied for GNNs. Hence, we begin with a case study on CI calibration under controlled structural and feature distribution shifts and demonstrate that increased expressivity or model size do not always lead to improved CI performance. Consequently, we instead advocate for the use of epistemic uncertainty quantification (UQ) methods to modulate CIs. To this end, we propose G-DeltaUQ, a new single model UQ method that extends the recently proposed stochastic centering framework to support structured data and partial stochasticity. Evaluated across covariate, concept, and graph size shifts, G-DeltaUQ not only outperforms several popular UQ methods in obtaining calibrated CIs, but also outperforms alternatives when CIs are used for generalization gap prediction or OOD detection. Overall, our work not only introduces a new, flexible GNN UQ method, but also provides novel insights into GNN CIs on safety-critical tasks.

We introduce marginalization models (MaMs), a new family of generative models for high-dimensional discrete data. They offer scalable and flexible generative modeling with tractable likelihoods by explicitly modeling all induced marginal distributions. Marginalization models enable fast evaluation of arbitrary marginal probabilities with a single forward pass of the neural network, which overcomes a major limitation of methods with exact marginal inference, such as autoregressive models (ARMs). We propose scalable methods for learning the marginals, grounded in the concept of "marginalization self-consistency". Unlike previous methods, MaMs support scalable training of any-order generative models for high-dimensional problems under the setting of energy-based training, where the goal is to match the learned distribution to a given desired probability (specified by an unnormalized (log) probability function such as energy function or reward function). We demonstrate the effectiveness of the proposed model on a variety of discrete data distributions, including binary images, language, physical systems, and molecules, for maximum likelihood and energy-based training settings. MaMs achieve orders of magnitude speedup in evaluating the marginal probabilities on both settings. For energy-based training tasks, MaMs enable any-order generative modeling of high-dimensional problems beyond the capability of previous methods. Code is at https://github.com/PrincetonLIPS/MaM.

Data collected from the real world typically exhibit long-tailed distributions, where frequent classes contain abundant data while rare ones have only a limited number of samples. While existing supervised learning approaches have been proposed to tackle such data imbalance, the requirement of label supervision would limit their applicability to real-world scenarios in which label annotation might not be available. Without the access to class labels nor the associated class frequencies, we propose Frequency-Aware Self-Supervised Learning (FASSL) in this paper. Targeting at learning from unlabeled data with inherent long-tailed distributions, the goal of FASSL is to produce discriminative feature representations for downstream classification tasks. In FASSL, we first learn frequency-aware prototypes, reflecting the associated long-tailed distribution. Particularly focusing on rare-class samples, the relationships between image data and the derived prototypes are further exploited with the introduced self-supervised learning scheme. Experiments on long-tailed image datasets quantitatively and qualitatively verify the effectiveness of our learning scheme.

Labeling training data has become one of the major roadblocks to using machine learning. Among various weak supervision paradigms, programmatic weak supervision (PWS) has achieved remarkable success in easing the manual labeling bottleneck by programmatically synthesizing training labels from multiple potentially noisy supervision sources. This paper presents a comprehensive survey of recent advances in PWS. In particular, we give a brief introduction of the PWS learning paradigm, and review representative approaches for each component within PWS's learning workflow. In addition, we discuss complementary learning paradigms for tackling limited labeled data scenarios and how these related approaches can be used in conjunction with PWS. Finally, we identify several critical challenges that remain under-explored in the area to hopefully inspire future research directions in the field.

The distribution of subpopulations is an important property hidden within a dataset. Uncovering and analyzing the subpopulation distribution within datasets provides a comprehensive understanding of the datasets, standing as a powerful tool beneficial to various downstream tasks, including Dataset Subpopulation Organization, Subpopulation Shift, and Slice Discovery. Despite its importance, there has been no work that systematically explores the subpopulation distribution of datasets to our knowledge. To address the limitation and solve all the mentioned tasks in a unified way, we introduce a novel concept of subpopulation structures to represent, analyze, and utilize subpopulation distributions within datasets. To characterize the structures in an interpretable manner, we propose the Subpopulation Structure Discovery with Large Language Models (SSD-LLM) framework, which employs world knowledge and instruction-following capabilities of Large Language Models (LLMs) to linguistically analyze informative image captions and summarize the structures. Furthermore, we propose complete workflows to address downstream tasks, named Task-specific Tuning, showcasing the application of the discovered structure to a spectrum of subpopulation-related tasks, including dataset subpopulation organization, subpopulation shift, and slice discovery. Furthermore, we propose complete workflows to address downstream tasks, named Task-specific Tuning, showcasing the application of the discovered structure to a spectrum of subpopulation-related tasks, including dataset subpopulation organization, subpopulation shift, and slice discovery.

The soft Dice loss (SDL) has taken a pivotal role in numerous automated segmentation pipelines in the medical imaging community. Over the last years, some reasons behind its superior functioning have been uncovered and further optimizations have been explored. However, there is currently no implementation that supports its direct utilization in scenarios involving soft labels. Hence, a synergy between the use of SDL and research leveraging the use of soft labels, also in the context of model calibration, is still missing. In this work, we introduce Dice semimetric losses (DMLs), which (i) are by design identical to SDL in a standard setting with hard labels, but (ii) can be employed in settings with soft labels. Our experiments on the public QUBIQ, LiTS and KiTS benchmarks confirm the potential synergy of DMLs with soft labels (e.g.\ averaging, label smoothing, and knowledge distillation) over hard labels (e.g.\ majority voting and random selection). As a result, we obtain superior Dice scores and model calibration, which supports the wider adoption of DMLs in practice. The code is available at https://github.com/zifuwanggg/JDTLosses{https://github.com/zifuwanggg/JDTLosses}.

For observational studies, we study the sensitivity of causal inference when treatment assignments may depend on unobserved confounders. We develop a loss minimization approach for estimating bounds on the conditional average treatment effect (CATE) when unobserved confounders have a bounded effect on the odds ratio of treatment selection. Our approach is scalable and allows flexible use of model classes in estimation, including nonparametric and black-box machine learning methods. Based on these bounds for the CATE, we propose a sensitivity analysis for the average treatment effect (ATE). Our semi-parametric estimator extends/bounds the augmented inverse propensity weighted (AIPW) estimator for the ATE under bounded unobserved confounding. By constructing a Neyman orthogonal score, our estimator of the bound for the ATE is a regular root-n estimator so long as the nuisance parameters are estimated at the o_p(n^{-1/4}) rate. We complement our methodology with optimality results showing that our proposed bounds are tight in certain cases. We demonstrate our method on simulated and real data examples, and show accurate coverage of our confidence intervals in practical finite sample regimes with rich covariate information.

A variety of recent papers discuss the application of Shapley values, a concept for explaining coalitional games, for feature attribution in machine learning. However, the correct way to connect a machine learning model to a coalitional game has been a source of controversy. The two main approaches that have been proposed differ in the way that they condition on known features, using either (1) an interventional or (2) an observational conditional expectation. While previous work has argued that one of the two approaches is preferable in general, we argue that the choice is application dependent. Furthermore, we argue that the choice comes down to whether it is desirable to be true to the model or true to the data. We use linear models to investigate this choice. After deriving an efficient method for calculating observational conditional expectation Shapley values for linear models, we investigate how correlation in simulated data impacts the convergence of observational conditional expectation Shapley values. Finally, we present two real data examples that we consider to be representative of possible use cases for feature attribution -- (1) credit risk modeling and (2) biological discovery. We show how a different choice of value function performs better in each scenario, and how possible attributions are impacted by modeling choices.

Beam search is the default decoding strategy for many sequence generation tasks in NLP. The set of approximate K-best items returned by the algorithm is a useful summary of the distribution for many applications; however, the candidates typically exhibit high overlap and may give a highly biased estimate for expectations under our model. These problems can be addressed by instead using stochastic decoding strategies. In this work, we propose a new method for turning beam search into a stochastic process: Conditional Poisson stochastic beam search. Rather than taking the maximizing set at each iteration, we sample K candidates without replacement according to the conditional Poisson sampling design. We view this as a more natural alternative to Kool et. al. 2019's stochastic beam search (SBS). Furthermore, we show how samples generated under the CPSBS design can be used to build consistent estimators and sample diverse sets from sequence models. In our experiments, we observe CPSBS produces lower variance and more efficient estimators than SBS, even showing improvements in high entropy settings.

The task of out-of-distribution (OOD) detection is notoriously ill-defined. Earlier works focused on new-class detection, aiming to identify label-altering data distribution shifts, also known as "semantic shift." However, recent works argue for a focus on failure detection, expanding the OOD evaluation framework to account for label-preserving data distribution shifts, also known as "covariate shift." Intriguingly, under this new framework, complex OOD detectors that were previously considered state-of-the-art now perform similarly to, or even worse than the simple maximum softmax probability baseline. This raises the question: what are the latest OOD detectors actually detecting? Deciphering the behavior of OOD detection algorithms requires evaluation datasets that decouples semantic shift and covariate shift. To aid our investigations, we present ImageNet-OOD, a clean semantic shift dataset that minimizes the interference of covariate shift. Through comprehensive experiments, we show that OOD detectors are more sensitive to covariate shift than to semantic shift, and the benefits of recent OOD detection algorithms on semantic shift detection is minimal. Our dataset and analyses provide important insights for guiding the design of future OOD detectors.

In this work, we provide a characterization of the feature-learning process in two-layer ReLU networks trained by gradient descent on the logistic loss following random initialization. We consider data with binary labels that are generated by an XOR-like function of the input features. We permit a constant fraction of the training labels to be corrupted by an adversary. We show that, although linear classifiers are no better than random guessing for the distribution we consider, two-layer ReLU networks trained by gradient descent achieve generalization error close to the label noise rate. We develop a novel proof technique that shows that at initialization, the vast majority of neurons function as random features that are only weakly correlated with useful features, and the gradient descent dynamics 'amplify' these weak, random features to strong, useful features.

We propose TR0N, a highly general framework to turn pre-trained unconditional generative models, such as GANs and VAEs, into conditional models. The conditioning can be highly arbitrary, and requires only a pre-trained auxiliary model. For example, we show how to turn unconditional models into class-conditional ones with the help of a classifier, and also into text-to-image models by leveraging CLIP. TR0N learns a lightweight stochastic mapping which "translates" between the space of conditions and the latent space of the generative model, in such a way that the generated latent corresponds to a data sample satisfying the desired condition. The translated latent samples are then further improved upon through Langevin dynamics, enabling us to obtain higher-quality data samples. TR0N requires no training data nor fine-tuning, yet can achieve a zero-shot FID of 10.9 on MS-COCO, outperforming competing alternatives not only on this metric, but also in sampling speed -- all while retaining a much higher level of generality. Our code is available at https://github.com/layer6ai-labs/tr0n.

To build an artificial neural network like the biological intelligence system, recent works have unified numerous tasks into a generalist model, which can process various tasks with shared parameters and do not have any task-specific modules. While generalist models achieve promising results on various benchmarks, they have performance degradation on some tasks compared with task-specialized models. In this work, we find that interference among different tasks and modalities is the main factor to this phenomenon. To mitigate such interference, we introduce the Conditional Mixture-of-Experts (Conditional MoEs) to generalist models. Routing strategies under different levels of conditions are proposed to take both the training/inference cost and generalization ability into account. By incorporating the proposed Conditional MoEs, the recently proposed generalist model Uni-Perceiver can effectively mitigate the interference across tasks and modalities, and achieves state-of-the-art results on a series of downstream tasks via prompt tuning on 1% of downstream data. Moreover, the introduction of Conditional MoEs still holds the generalization ability of generalist models to conduct zero-shot inference on new tasks, e.g., video-text retrieval and video caption. Code and pre-trained generalist models shall be released.

The eXtreme Multi-label Classification~(XMC) problem seeks to find relevant labels from an exceptionally large label space. Most of the existing XMC learners focus on the extraction of semantic features from input query text. However, conventional XMC studies usually neglect the side information of instances and labels, which can be of use in many real-world applications such as recommendation systems and e-commerce product search. We propose Predicted Instance Neighborhood Aggregation (PINA), a data enhancement method for the general XMC problem that leverages beneficial side information. Unlike most existing XMC frameworks that treat labels and input instances as featureless indicators and independent entries, PINA extracts information from the label metadata and the correlations among training instances. Extensive experimental results demonstrate the consistent gain of PINA on various XMC tasks compared to the state-of-the-art methods: PINA offers a gain in accuracy compared to standard XR-Transformers on five public benchmark datasets. Moreover, PINA achieves a sim 5% gain in accuracy on the largest dataset LF-AmazonTitles-1.3M. Our implementation is publicly available.

Data imbalance and open-ended distribution are two intrinsic characteristics of the real visual world. Though encouraging progress has been made in tackling each challenge separately, few works dedicated to combining them towards real-world scenarios. While several previous works have focused on classifying close-set samples and detecting open-set samples during testing, it's still essential to be able to classify unknown subjects as human beings. In this paper, we formally define a more realistic task as distribution-agnostic generalized category discovery (DA-GCD): generating fine-grained predictions for both close- and open-set classes in a long-tailed open-world setting. To tackle the challenging problem, we propose a Self-Balanced Co-Advice contrastive framework (BaCon), which consists of a contrastive-learning branch and a pseudo-labeling branch, working collaboratively to provide interactive supervision to resolve the DA-GCD task. In particular, the contrastive-learning branch provides reliable distribution estimation to regularize the predictions of the pseudo-labeling branch, which in turn guides contrastive learning through self-balanced knowledge transfer and a proposed novel contrastive loss. We compare BaCon with state-of-the-art methods from two closely related fields: imbalanced semi-supervised learning and generalized category discovery. The effectiveness of BaCon is demonstrated with superior performance over all baselines and comprehensive analysis across various datasets. Our code is publicly available.

Diffusion models trained with mean squared error loss tend to generate unrealistic samples. Current state-of-the-art models rely on classifier-free guidance to improve sample quality, yet its surprising effectiveness is not fully understood. In this paper, We show that the effectiveness of classifier-free guidance partly originates from it being a form of implicit perceptual guidance. As a result, we can directly incorporate perceptual loss in diffusion training to improve sample quality. Since the score matching objective used in diffusion training strongly resembles the denoising autoencoder objective used in unsupervised training of perceptual networks, the diffusion model itself is a perceptual network and can be used to generate meaningful perceptual loss. We propose a novel self-perceptual objective that results in diffusion models capable of generating more realistic samples. For conditional generation, our method only improves sample quality without entanglement with the conditional input and therefore does not sacrifice sample diversity. Our method can also improve sample quality for unconditional generation, which was not possible with classifier-free guidance before.

Generating novel molecules with higher properties than the training space, namely the out-of-distribution generation, is important for {de~novo} drug design. However, it is not easy for distribution learning-based models, for example diffusion models, to solve this challenge as these methods are designed to fit the distribution of training data as close as possible. In this paper, we show that Bayesian flow network is capable of effortlessly generating high quality out-of-distribution samples that meet several scenarios. We introduce a semi-autoregressive training/sampling method that helps to enhance the model performance and surpass the state-of-the-art models.

Semi-supervised learning is attracting blooming attention, due to its success in combining unlabeled data. To mitigate potentially incorrect pseudo labels, recent frameworks mostly set a fixed confidence threshold to discard uncertain samples. This practice ensures high-quality pseudo labels, but incurs a relatively low utilization of the whole unlabeled set. In this work, our key insight is that these uncertain samples can be turned into certain ones, as long as the confusion classes for the top-1 class are detected and removed. Invoked by this, we propose a novel method dubbed ShrinkMatch to learn uncertain samples. For each uncertain sample, it adaptively seeks a shrunk class space, which merely contains the original top-1 class, as well as remaining less likely classes. Since the confusion ones are removed in this space, the re-calculated top-1 confidence can satisfy the pre-defined threshold. We then impose a consistency regularization between a pair of strongly and weakly augmented samples in the shrunk space to strive for discriminative representations. Furthermore, considering the varied reliability among uncertain samples and the gradually improved model during training, we correspondingly design two reweighting principles for our uncertain loss. Our method exhibits impressive performance on widely adopted benchmarks. Code is available at https://github.com/LiheYoung/ShrinkMatch.

Existing knowledge distillation methods typically work by imparting the knowledge of output logits or intermediate feature maps from the teacher network to the student network, which is very successful in multi-class single-label learning. However, these methods can hardly be extended to the multi-label learning scenario, where each instance is associated with multiple semantic labels, because the prediction probabilities do not sum to one and feature maps of the whole example may ignore minor classes in such a scenario. In this paper, we propose a novel multi-label knowledge distillation method. On one hand, it exploits the informative semantic knowledge from the logits by dividing the multi-label learning problem into a set of binary classification problems; on the other hand, it enhances the distinctiveness of the learned feature representations by leveraging the structural information of label-wise embeddings. Experimental results on multiple benchmark datasets validate that the proposed method can avoid knowledge counteraction among labels, thus achieving superior performance against diverse comparing methods. Our code is available at: https://github.com/penghui-yang/L2D

Diffusion models have emerged as a promising alternative to autoregressive models in modeling discrete categorical data. Yet diffusion models that directly work on discrete data space do not fully exploit the power of iterative refinement, as the signals are lost during the transition between discrete states. Existing continuous diffusion models for discrete data have limited performance compared to discrete approaches, and the unclear link between them restricts the development of diffusion models for discrete data. In this work, we propose a continuous diffusion model for language modeling that incorporates the geometry of the underlying categorical distribution. We establish a connection between the discrete diffusion and continuous flow on the statistical manifold, and building on the analogy, we introduce a simple design for the diffusion process that generalizes previous discrete diffusion models. We further propose a simulation-free training framework based on radial symmetry and a simple technique to address the high dimensionality of the manifold. Comprehensive experiments on language modeling benchmarks and other modalities show that our method outperforms existing discrete diffusion models and approaches the performance of autoregressive models. Codes available at https://github.com/harryjo97/RDLM{https://github.com/harryjo97/RDLM}.

Empirical Risk Minimization (ERM) is fragile in scenarios with insufficient labeled samples. A vanilla extension of ERM to unlabeled samples is Entropy Minimization (EntMin), which employs the soft-labels of unlabeled samples to guide their learning. However, EntMin emphasizes prediction discriminability while neglecting prediction diversity. To alleviate this issue, in this paper, we rethink the guidance information to utilize unlabeled samples. By analyzing the learning objective of ERM, we find that the guidance information for labeled samples in a specific category is the corresponding label encoding. Inspired by this finding, we propose a Label-Encoding Risk Minimization (LERM). It first estimates the label encodings through prediction means of unlabeled samples and then aligns them with their corresponding ground-truth label encodings. As a result, the LERM ensures both prediction discriminability and diversity, and it can be integrated into existing methods as a plugin. Theoretically, we analyze the relationships between LERM and ERM as well as EntMin. Empirically, we verify the superiority of the LERM under several label insufficient scenarios. The codes are available at https://github.com/zhangyl660/LERM.

Gene regulatory network inference (GRNI) is a challenging problem, particularly owing to the presence of zeros in single-cell RNA sequencing data: some are biological zeros representing no gene expression, while some others are technical zeros arising from the sequencing procedure (aka dropouts), which may bias GRNI by distorting the joint distribution of the measured gene expressions. Existing approaches typically handle dropout error via imputation, which may introduce spurious relations as the true joint distribution is generally unidentifiable. To tackle this issue, we introduce a causal graphical model to characterize the dropout mechanism, namely, Causal Dropout Model. We provide a simple yet effective theoretical result: interestingly, the conditional independence (CI) relations in the data with dropouts, after deleting the samples with zero values (regardless if technical or not) for the conditioned variables, are asymptotically identical to the CI relations in the original data without dropouts. This particular test-wise deletion procedure, in which we perform CI tests on the samples without zeros for the conditioned variables, can be seamlessly integrated with existing structure learning approaches including constraint-based and greedy score-based methods, thus giving rise to a principled framework for GRNI in the presence of dropouts. We further show that the causal dropout model can be validated from data, and many existing statistical models to handle dropouts fit into our model as specific parametric instances. Empirical evaluation on synthetic, curated, and real-world experimental transcriptomic data comprehensively demonstrate the efficacy of our method.

We investigate the theoretical foundations of classifier-free guidance (CFG). CFG is the dominant method of conditional sampling for text-to-image diffusion models, yet unlike other aspects of diffusion, it remains on shaky theoretical footing. In this paper, we disprove common misconceptions, by showing that CFG interacts differently with DDPM (Ho et al., 2020) and DDIM (Song et al., 2021), and neither sampler with CFG generates the gamma-powered distribution p(x|c)^gamma p(x)^{1-gamma}. Then, we clarify the behavior of CFG by showing that it is a kind of predictor-corrector method (Song et al., 2020) that alternates between denoising and sharpening, which we call predictor-corrector guidance (PCG). We prove that in the SDE limit, CFG is actually equivalent to combining a DDIM predictor for the conditional distribution together with a Langevin dynamics corrector for a gamma-powered distribution (with a carefully chosen gamma). Our work thus provides a lens to theoretically understand CFG by embedding it in a broader design space of principled sampling methods.

Machine learning models often have uneven performance among subpopulations (a.k.a., groups) in the data distributions. This poses a significant challenge for the models to generalize when the proportions of the groups shift during deployment. To improve robustness to such shifts, existing approaches have developed strategies that train models or perform hyperparameter tuning using the group-labeled data to minimize the worst-case loss over groups. However, a non-trivial amount of high-quality labels is often required to obtain noticeable improvements. Given the costliness of the labels, we propose to adopt a different paradigm to enhance group label efficiency: utilizing the group-labeled data as a target set to optimize the weights of other group-unlabeled data. We introduce Group-robust Sample Reweighting (GSR), a two-stage approach that first learns the representations from group-unlabeled data, and then tinkers the model by iteratively retraining its last layer on the reweighted data using influence functions. Our GSR is theoretically sound, practically lightweight, and effective in improving the robustness to subpopulation shifts. In particular, GSR outperforms the previous state-of-the-art approaches that require the same amount or even more group labels.