Daily Papers

In representation learning, uniformity refers to the uniform feature distribution in the latent space (i.e., unit hypersphere). Previous work has shown that improving uniformity contributes to the learning of under-represented classes. However, most of the previous work focused on classification; the representation space of imbalanced regression remains unexplored. Classification-based methods are not suitable for regression tasks because they cluster features into distinct groups without considering the continuous and ordered nature essential for regression. In a geometric aspect, we uniquely focus on ensuring uniformity in the latent space for imbalanced regression through two key losses: enveloping and homogeneity. The enveloping loss encourages the induced trace to uniformly occupy the surface of a hypersphere, while the homogeneity loss ensures smoothness, with representations evenly spaced at consistent intervals. Our method integrates these geometric principles into the data representations via a Surrogate-driven Representation Learning (SRL) framework. Experiments with real-world regression and operator learning tasks highlight the importance of uniformity in imbalanced regression and validate the efficacy of our geometry-based loss functions.

Score-based generative models, commonly referred to as diffusion models, have proven to be successful at generating text and image data. However, their adaptation to mixed-type tabular data remains underexplored. In this work, we propose CDTD, a Continuous Diffusion model for mixed-type Tabular Data. CDTD is based on a novel combination of score matching and score interpolation to enforce a unified continuous noise distribution for both continuous and categorical features. We explicitly acknowledge the necessity of homogenizing distinct data types by relying on model-specific loss calibration and initialization schemes.To further address the high heterogeneity in mixed-type tabular data, we introduce adaptive feature- or type-specific noise schedules. These ensure balanced generative performance across features and optimize the allocation of model capacity across features and diffusion time. Our experimental results show that CDTD consistently outperforms state-of-the-art benchmark models, captures feature correlations exceptionally well, and that heterogeneity in the noise schedule design boosts sample quality. Replication code is available at https://github.com/muellermarkus/cdtd.

Federated Learning (FL) is a rising approach towards collaborative and privacy-preserving machine learning where large-scale medical datasets remain localized to each client. However, the issue of data heterogeneity among clients often compels local models to diverge, leading to suboptimal global models. To mitigate the impact of data heterogeneity on FL performance, we start with analyzing how FL training influence FL performance by decomposing the global loss into three terms: local loss, distribution shift loss and aggregation loss. Remarkably, our loss decomposition reveals that existing local training-based FL methods attempt to reduce the distribution shift loss, while the global aggregation-based FL methods propose better aggregation strategies to reduce the aggregation loss. Nevertheless, a comprehensive joint effort to minimize all three terms is currently limited in the literature, leading to subpar performance when dealing with data heterogeneity challenges. To fill this gap, we propose a novel FL method based on global loss decomposition, called FedLD, to jointly reduce these three loss terms. Our FedLD involves a margin control regularization in local training to reduce the distribution shift loss, and a principal gradient-based server aggregation strategy to reduce the aggregation loss. Notably, under different levels of data heterogeneity, our strategies achieve better and more robust performance on retinal and chest X-ray classification compared to other FL algorithms. Our code is available at https://github.com/Zeng-Shuang/FedLD.

The efficiency of Federated Learning (FL) is often affected by both data and device heterogeneities. Data heterogeneity is defined as the heterogeneity of data distributions on different clients. Device heterogeneity is defined as the clients' variant latencies in uploading their local model updates due to heterogeneous conditions of local hardware resources, and causes the problem of staleness when being addressed by asynchronous FL. Traditional schemes of tackling the impact of staleness consider data and device heterogeneities as two separate and independent aspects in FL, but this assumption is unrealistic in many practical FL scenarios where data and device heterogeneities are intertwined. In these cases, traditional schemes of weighted aggregation in FL have been proved to be ineffective, and a better approach is to convert a stale model update into a non-stale one. In this paper, we present a new FL framework that leverages the gradient inversion technique for such conversion, hence efficiently tackling unlimited staleness in clients' model updates. Our basic idea is to use gradient inversion to get estimations of clients' local training data from their uploaded stale model updates, and use these estimations to compute non-stale client model updates. In this way, we address the problem of possible data quality drop when using gradient inversion, while still preserving the clients' local data privacy. We compared our approach with the existing FL strategies on mainstream datasets and models, and experiment results demonstrate that when tackling unlimited staleness, our approach can significantly improve the trained model accuracy by up to 20% and speed up the FL training progress by up to 35%.

Real-world datasets exhibit imbalances of varying types and degrees. Several techniques based on re-weighting and margin adjustment of loss are often used to enhance the performance of neural networks, particularly on minority classes. In this work, we analyze the class-imbalanced learning problem by examining the loss landscape of neural networks trained with re-weighting and margin-based techniques. Specifically, we examine the spectral density of Hessian of class-wise loss, through which we observe that the network weights converge to a saddle point in the loss landscapes of minority classes. Following this observation, we also find that optimization methods designed to escape from saddle points can be effectively used to improve generalization on minority classes. We further theoretically and empirically demonstrate that Sharpness-Aware Minimization (SAM), a recent technique that encourages convergence to a flat minima, can be effectively used to escape saddle points for minority classes. Using SAM results in a 6.2\% increase in accuracy on the minority classes over the state-of-the-art Vector Scaling Loss, leading to an overall average increase of 4\% across imbalanced datasets. The code is available at: https://github.com/val-iisc/Saddle-LongTail.

Current model quantization methods have shown their promising capability in reducing storage space and computation complexity. However, due to the diversity of quantization forms supported by different hardware, one limitation of existing solutions is that usually require repeated optimization for different scenarios. How to construct a model with flexible quantization forms has been less studied. In this paper, we explore a one-shot network quantization regime, named Elastic Quantization Neural Networks (EQ-Net), which aims to train a robust weight-sharing quantization supernet. First of all, we propose an elastic quantization space (including elastic bit-width, granularity, and symmetry) to adapt to various mainstream quantitative forms. Secondly, we propose the Weight Distribution Regularization Loss (WDR-Loss) and Group Progressive Guidance Loss (GPG-Loss) to bridge the inconsistency of the distribution for weights and output logits in the elastic quantization space gap. Lastly, we incorporate genetic algorithms and the proposed Conditional Quantization-Aware Accuracy Predictor (CQAP) as an estimator to quickly search mixed-precision quantized neural networks in supernet. Extensive experiments demonstrate that our EQ-Net is close to or even better than its static counterparts as well as state-of-the-art robust bit-width methods. Code can be available at https://github.com/xuke225/EQ-Net.git{https://github.com/xuke225/EQ-Net}.

Loss functions serve as the foundation of supervised learning and are often chosen prior to model development. To avoid potentially ad hoc choices of losses, statistical decision theory describes a desirable property for losses known as properness, which asserts that Bayes' rule is optimal. Recent works have sought to learn losses and models jointly. Existing methods do this by fitting an inverse canonical link function which monotonically maps R to [0,1] to estimate probabilities for binary problems. In this paper, we extend monotonicity to maps between R^{C-1} and the projected probability simplex Delta^{C-1} by using monotonicity of gradients of convex functions. We present {\sc LegendreTron} as a novel and practical method that jointly learns proper canonical losses and probabilities for multiclass problems. Tested on a benchmark of domains with up to 1,000 classes, our experimental results show that our method consistently outperforms the natural multiclass baseline under a t-test at 99% significance on all datasets with greater than 10 classes.

While scaling laws provide a reliable methodology for predicting train loss across compute scales for a single data distribution, less is known about how these predictions should change as we change the distribution. In this paper, we derive a strategy for predicting one loss from another and apply it to predict across different pre-training datasets and from pre-training data to downstream task data. Our predictions extrapolate well even at 20x the largest FLOP budget used to fit the curves. More precisely, we find that there are simple shifted power law relationships between (1) the train losses of two models trained on two separate datasets when the models are paired by training compute (train-to-train), (2) the train loss and the test loss on any downstream distribution for a single model (train-to-test), and (3) the test losses of two models trained on two separate train datasets (test-to-test). The results hold up for pre-training datasets that differ substantially (some are entirely code and others have no code at all) and across a variety of downstream tasks. Finally, we find that in some settings these shifted power law relationships can yield more accurate predictions than extrapolating single-dataset scaling laws.

Data heterogeneity is an inherent challenge that hinders the performance of federated learning (FL). Recent studies have identified the biased classifiers of local models as the key bottleneck. Previous attempts have used classifier calibration after FL training, but this approach falls short in improving the poor feature representations caused by training-time classifier biases. Resolving the classifier bias dilemma in FL requires a full understanding of the mechanisms behind the classifier. Recent advances in neural collapse have shown that the classifiers and feature prototypes under perfect training scenarios collapse into an optimal structure called simplex equiangular tight frame (ETF). Building on this neural collapse insight, we propose a solution to the FL's classifier bias problem by utilizing a synthetic and fixed ETF classifier during training. The optimal classifier structure enables all clients to learn unified and optimal feature representations even under extremely heterogeneous data. We devise several effective modules to better adapt the ETF structure in FL, achieving both high generalization and personalization. Extensive experiments demonstrate that our method achieves state-of-the-art performances on CIFAR-10, CIFAR-100, and Tiny-ImageNet.

Class-incremental learning (CIL) has achieved remarkable successes in learning new classes consecutively while overcoming catastrophic forgetting on old categories. However, most existing CIL methods unreasonably assume that all old categories have the same forgetting pace, and neglect negative influence of forgetting heterogeneity among different old classes on forgetting compensation. To surmount the above challenges, we develop a novel Heterogeneous Forgetting Compensation (HFC) model, which can resolve heterogeneous forgetting of easy-to-forget and hard-to-forget old categories from both representation and gradient aspects. Specifically, we design a task-semantic aggregation block to alleviate heterogeneous forgetting from representation aspect. It aggregates local category information within each task to learn task-shared global representations. Moreover, we develop two novel plug-and-play losses: a gradient-balanced forgetting compensation loss and a gradient-balanced relation distillation loss to alleviate forgetting from gradient aspect. They consider gradient-balanced compensation to rectify forgetting heterogeneity of old categories and heterogeneous relation consistency. Experiments on several representative datasets illustrate effectiveness of our HFC model. The code is available at https://github.com/JiahuaDong/HFC.

Nearly all practical neural models for classification are trained using cross-entropy loss. Yet this ubiquitous choice is supported by little theoretical or empirical evidence. Recent work (Hui & Belkin, 2020) suggests that training using the (rescaled) square loss is often superior in terms of the classification accuracy. In this paper we propose the "squentropy" loss, which is the sum of two terms: the cross-entropy loss and the average square loss over the incorrect classes. We provide an extensive set of experiments on multi-class classification problems showing that the squentropy loss outperforms both the pure cross entropy and rescaled square losses in terms of the classification accuracy. We also demonstrate that it provides significantly better model calibration than either of these alternative losses and, furthermore, has less variance with respect to the random initialization. Additionally, in contrast to the square loss, squentropy loss can typically be trained using exactly the same optimization parameters, including the learning rate, as the standard cross-entropy loss, making it a true "plug-and-play" replacement. Finally, unlike the rescaled square loss, multiclass squentropy contains no parameters that need to be adjusted.

In today's heavily overparameterized models, the value of the training loss provides few guarantees on model generalization ability. Indeed, optimizing only the training loss value, as is commonly done, can easily lead to suboptimal model quality. Motivated by prior work connecting the geometry of the loss landscape and generalization, we introduce a novel, effective procedure for instead simultaneously minimizing loss value and loss sharpness. In particular, our procedure, Sharpness-Aware Minimization (SAM), seeks parameters that lie in neighborhoods having uniformly low loss; this formulation results in a min-max optimization problem on which gradient descent can be performed efficiently. We present empirical results showing that SAM improves model generalization across a variety of benchmark datasets (e.g., CIFAR-10, CIFAR-100, ImageNet, finetuning tasks) and models, yielding novel state-of-the-art performance for several. Additionally, we find that SAM natively provides robustness to label noise on par with that provided by state-of-the-art procedures that specifically target learning with noisy labels. We open source our code at https://github.com/google-research/sam.

Federated learning (FL) inevitably confronts the challenge of system heterogeneity in practical scenarios. To enhance the capabilities of most model-homogeneous FL methods in handling system heterogeneity, we propose a training scheme that can extend their capabilities to cope with this challenge. In this paper, we commence our study with a detailed exploration of homogeneous and heterogeneous FL settings and discover three key observations: (1) a positive correlation between client performance and layer similarities, (2) higher similarities in the shallow layers in contrast to the deep layers, and (3) the smoother gradients distributions indicate the higher layer similarities. Building upon these observations, we propose InCo Aggregation that leverages internal cross-layer gradients, a mixture of gradients from shallow and deep layers within a server model, to augment the similarity in the deep layers without requiring additional communication between clients. Furthermore, our methods can be tailored to accommodate model-homogeneous FL methods such as FedAvg, FedProx, FedNova, Scaffold, and MOON, to expand their capabilities to handle the system heterogeneity. Copious experimental results validate the effectiveness of InCo Aggregation, spotlighting internal cross-layer gradients as a promising avenue to enhance the performance in heterogeneous FL.

SGD performs worse than Adam by a significant margin on Transformers, but the reason remains unclear. In this work, we provide an explanation of SGD's failure on Transformers through the lens of Hessian: (i) Transformers are ``heterogeneous'': the Hessian spectrum across parameter blocks vary dramatically, a phenomenon we call ``block heterogeneity"; (ii) Heterogeneity hampers SGD: SGD performs badly on problems with block heterogeneity. To validate that heterogeneity hampers SGD, we check various Transformers, CNNs, MLPs, and quadratic problems, and find that SGD works well on problems without block heterogeneity but performs badly when the heterogeneity exists. Our initial theoretical analysis indicates that SGD fails because it applies one single learning rate for all blocks, which cannot handle the heterogeneity among blocks. The failure could be rescued if we could assign different learning rates across blocks, as designed in Adam.

Unsupervised contrastive learning has achieved outstanding success, while the mechanism of contrastive loss has been less studied. In this paper, we concentrate on the understanding of the behaviours of unsupervised contrastive loss. We will show that the contrastive loss is a hardness-aware loss function, and the temperature {\tau} controls the strength of penalties on hard negative samples. The previous study has shown that uniformity is a key property of contrastive learning. We build relations between the uniformity and the temperature {\tau} . We will show that uniformity helps the contrastive learning to learn separable features, however excessive pursuit to the uniformity makes the contrastive loss not tolerant to semantically similar samples, which may break the underlying semantic structure and be harmful to the formation of features useful for downstream tasks. This is caused by the inherent defect of the instance discrimination objective. Specifically, instance discrimination objective tries to push all different instances apart, ignoring the underlying relations between samples. Pushing semantically consistent samples apart has no positive effect for acquiring a prior informative to general downstream tasks. A well-designed contrastive loss should have some extents of tolerance to the closeness of semantically similar samples. Therefore, we find that the contrastive loss meets a uniformity-tolerance dilemma, and a good choice of temperature can compromise these two properties properly to both learn separable features and tolerant to semantically similar samples, improving the feature qualities and the downstream performances.

We introduce a state-of-the-art real-time, high-fidelity, audio codec leveraging neural networks. It consists in a streaming encoder-decoder architecture with quantized latent space trained in an end-to-end fashion. We simplify and speed-up the training by using a single multiscale spectrogram adversary that efficiently reduces artifacts and produce high-quality samples. We introduce a novel loss balancer mechanism to stabilize training: the weight of a loss now defines the fraction of the overall gradient it should represent, thus decoupling the choice of this hyper-parameter from the typical scale of the loss. Finally, we study how lightweight Transformer models can be used to further compress the obtained representation by up to 40%, while staying faster than real time. We provide a detailed description of the key design choices of the proposed model including: training objective, architectural changes and a study of various perceptual loss functions. We present an extensive subjective evaluation (MUSHRA tests) together with an ablation study for a range of bandwidths and audio domains, including speech, noisy-reverberant speech, and music. Our approach is superior to the baselines methods across all evaluated settings, considering both 24 kHz monophonic and 48 kHz stereophonic audio. Code and models are available at github.com/facebookresearch/encodec.

The loss landscape of neural networks is a critical aspect of their training, and understanding its properties is essential for improving their performance. In this paper, we investigate how the loss surface changes when the sample size increases, a previously unexplored issue. We theoretically analyze the convergence of the loss landscape in a fully connected neural network and derive upper bounds for the difference in loss function values when adding a new object to the sample. Our empirical study confirms these results on various datasets, demonstrating the convergence of the loss function surface for image classification tasks. Our findings provide insights into the local geometry of neural loss landscapes and have implications for the development of sample size determination techniques.

Compact convolutional neural networks (CNNs) have witnessed exceptional improvements in performance in recent years. However, they still fail to provide the same predictive power as CNNs with a large number of parameters. The diverse and even abundant features captured by the layers is an important characteristic of these successful CNNs. However, differences in this characteristic between large CNNs and their compact counterparts have rarely been investigated. In compact CNNs, due to the limited number of parameters, abundant features are unlikely to be obtained, and feature diversity becomes an essential characteristic. Diverse features present in the activation maps derived from a data point during model inference may indicate the presence of a set of unique descriptors necessary to distinguish between objects of different classes. In contrast, data points with low feature diversity may not provide a sufficient amount of unique descriptors to make a valid prediction; we refer to them as random predictions. Random predictions can negatively impact the optimization process and harm the final performance. This paper proposes addressing the problem raised by random predictions by reshaping the standard cross-entropy to make it biased toward data points with a limited number of unique descriptive features. Our novel Bias Loss focuses the training on a set of valuable data points and prevents the vast number of samples with poor learning features from misleading the optimization process. Furthermore, to show the importance of diversity, we present a family of SkipNet models whose architectures are brought to boost the number of unique descriptors in the last layers. Our Skipnet-M can achieve 1% higher classification accuracy than MobileNetV3 Large.

Physics-informed Neural Networks (PINNs) have recently achieved remarkable progress in solving Partial Differential Equations (PDEs) in various fields by minimizing a weighted sum of PDE loss and boundary loss. However, there are several critical challenges in the training of PINNs, including the lack of theoretical frameworks and the imbalance between PDE loss and boundary loss. In this paper, we present an analysis of second-order non-homogeneous PDEs, which are classified into three categories and applicable to various common problems. We also characterize the connections between the training loss and actual error, guaranteeing convergence under mild conditions. The theoretical analysis inspires us to further propose MultiAdam, a scale-invariant optimizer that leverages gradient momentum to parameter-wisely balance the loss terms. Extensive experiment results on multiple problems from different physical domains demonstrate that our MultiAdam solver can improve the predictive accuracy by 1-2 orders of magnitude compared with strong baselines.

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.

In multi-task learning (MTL), gradient balancing has recently attracted more research interest than loss balancing since it often leads to better performance. However, loss balancing is much more efficient than gradient balancing, and thus it is still worth further exploration in MTL. Note that prior studies typically ignore that there exist varying improvable gaps across multiple tasks, where the improvable gap per task is defined as the distance between the current training progress and desired final training progress. Therefore, after loss balancing, the performance imbalance still arises in many cases. In this paper, following the loss balancing framework, we propose two novel improvable gap balancing (IGB) algorithms for MTL: one takes a simple heuristic, and the other (for the first time) deploys deep reinforcement learning for MTL. Particularly, instead of directly balancing the losses in MTL, both algorithms choose to dynamically assign task weights for improvable gap balancing. Moreover, we combine IGB and gradient balancing to show the complementarity between the two types of algorithms. Extensive experiments on two benchmark datasets demonstrate that our IGB algorithms lead to the best results in MTL via loss balancing and achieve further improvements when combined with gradient balancing. Code is available at https://github.com/YanqiDai/IGB4MTL.

Federated Learning is a distributed learning paradigm with two key challenges that differentiate it from traditional distributed optimization: (1) significant variability in terms of the systems characteristics on each device in the network (systems heterogeneity), and (2) non-identically distributed data across the network (statistical heterogeneity). In this work, we introduce a framework, FedProx, to tackle heterogeneity in federated networks. FedProx can be viewed as a generalization and re-parametrization of FedAvg, the current state-of-the-art method for federated learning. While this re-parameterization makes only minor modifications to the method itself, these modifications have important ramifications both in theory and in practice. Theoretically, we provide convergence guarantees for our framework when learning over data from non-identical distributions (statistical heterogeneity), and while adhering to device-level systems constraints by allowing each participating device to perform a variable amount of work (systems heterogeneity). Practically, we demonstrate that FedProx allows for more robust convergence than FedAvg across a suite of realistic federated datasets. In particular, in highly heterogeneous settings, FedProx demonstrates significantly more stable and accurate convergence behavior relative to FedAvg---improving absolute test accuracy by 22% on average.

This work considers the category distribution heterogeneity in federated learning. This issue is due to biased labeling preferences at multiple clients and is a typical setting of data heterogeneity. To alleviate this issue, most previous works consider either regularizing local models or fine-tuning the global model, while they ignore the adjustment of aggregation weights and simply assign weights based on the dataset size. However, based on our empirical observations and theoretical analysis, we find that the dataset size is not optimal and the discrepancy between local and global category distributions could be a beneficial and complementary indicator for determining aggregation weights. We thus propose a novel aggregation method, Federated Learning with Discrepancy-aware Collaboration (FedDisco), whose aggregation weights not only involve both the dataset size and the discrepancy value, but also contribute to a tighter theoretical upper bound of the optimization error. FedDisco also promotes privacy-preservation, communication and computation efficiency, as well as modularity. Extensive experiments show that our FedDisco outperforms several state-of-the-art methods and can be easily incorporated with many existing methods to further enhance the performance. Our code will be available at https://github.com/MediaBrain-SJTU/FedDisco.

We study the data selection problem, whose aim is to select a small representative subset of data that can be used to efficiently train a machine learning model. We present a new data selection approach based on k-means clustering and sensitivity sampling. Assuming access to an embedding representation of the data with respect to which the model loss is H\"older continuous, our approach provably allows selecting a set of ``typical'' k + 1/varepsilon^2 elements whose average loss corresponds to the average loss of the whole dataset, up to a multiplicative (1pmvarepsilon) factor and an additive varepsilon lambda Phi_k, where Phi_k represents the k-means cost for the input embeddings and lambda is the H\"older constant. We furthermore demonstrate the performance and scalability of our approach on fine-tuning foundation models and show that it outperforms state-of-the-art methods. We also show how it can be applied on linear regression, leading to a new sampling strategy that surprisingly matches the performances of leverage score sampling, while being conceptually simpler and more scalable.

A number of computer vision deep regression approaches report improved results when adding a classification loss to the regression loss. Here, we explore why this is useful in practice and when it is beneficial. To do so, we start from precisely controlled dataset variations and data samplings and find that the effect of adding a classification loss is the most pronounced for regression with imbalanced data. We explain these empirical findings by formalizing the relation between the balanced and imbalanced regression losses. Finally, we show that our findings hold on two real imbalanced image datasets for depth estimation (NYUD2-DIR), and age estimation (IMDB-WIKI-DIR), and on the problem of imbalanced video progress prediction (Breakfast). Our main takeaway is: for a regression task, if the data sampling is imbalanced, then add a classification loss.

We initiate the study of proper losses for evaluating generative models in the discrete setting. Unlike traditional proper losses, we treat both the generative model and the target distribution as black-boxes, only assuming ability to draw i.i.d. samples. We define a loss to be black-box proper if the generative distribution that minimizes expected loss is equal to the target distribution. Using techniques from statistical estimation theory, we give a general construction and characterization of black-box proper losses: they must take a polynomial form, and the number of draws from the model and target distribution must exceed the degree of the polynomial. The characterization rules out a loss whose expectation is the cross-entropy between the target distribution and the model. By extending the construction to arbitrary sampling schemes such as Poisson sampling, however, we show that one can construct such a loss.

Fairness in artificial intelligence models has gained significantly more attention in recent years, especially in the area of medicine, as fairness in medical models is critical to people's well-being and lives. High-quality medical fairness datasets are needed to promote fairness learning research. Existing medical fairness datasets are all for classification tasks, and no fairness datasets are available for medical segmentation, while medical segmentation is an equally important clinical task as classifications, which can provide detailed spatial information on organ abnormalities ready to be assessed by clinicians. In this paper, we propose the first fairness dataset for medical segmentation named Harvard-FairSeg with 10,000 subject samples. In addition, we propose a fair error-bound scaling approach to reweight the loss function with the upper error-bound in each identity group, using the segment anything model (SAM). We anticipate that the segmentation performance equity can be improved by explicitly tackling the hard cases with high training errors in each identity group. To facilitate fair comparisons, we utilize a novel equity-scaled segmentation performance metric to compare segmentation metrics in the context of fairness, such as the equity-scaled Dice coefficient. Through comprehensive experiments, we demonstrate that our fair error-bound scaling approach either has superior or comparable fairness performance to the state-of-the-art fairness learning models. The dataset and code are publicly accessible via https://ophai.hms.harvard.edu/datasets/harvard-fairseg10k.

Neural network training relies on our ability to find "good" minimizers of highly non-convex loss functions. It is well-known that certain network architecture designs (e.g., skip connections) produce loss functions that train easier, and well-chosen training parameters (batch size, learning rate, optimizer) produce minimizers that generalize better. However, the reasons for these differences, and their effects on the underlying loss landscape, are not well understood. In this paper, we explore the structure of neural loss functions, and the effect of loss landscapes on generalization, using a range of visualization methods. First, we introduce a simple "filter normalization" method that helps us visualize loss function curvature and make meaningful side-by-side comparisons between loss functions. Then, using a variety of visualizations, we explore how network architecture affects the loss landscape, and how training parameters affect the shape of minimizers.

In practical federated learning scenarios, the participating devices may have different bitwidths for computation and memory storage by design. However, despite the progress made in device-heterogeneous federated learning scenarios, the heterogeneity in the bitwidth specifications in the hardware has been mostly overlooked. We introduce a pragmatic FL scenario with bitwidth heterogeneity across the participating devices, dubbed as Bitwidth Heterogeneous Federated Learning (BHFL). BHFL brings in a new challenge, that the aggregation of model parameters with different bitwidths could result in severe performance degeneration, especially for high-bitwidth models. To tackle this problem, we propose ProWD framework, which has a trainable weight dequantizer at the central server that progressively reconstructs the low-bitwidth weights into higher bitwidth weights, and finally into full-precision weights. ProWD further selectively aggregates the model parameters to maximize the compatibility across bit-heterogeneous weights. We validate ProWD against relevant FL baselines on the benchmark datasets, using clients with varying bitwidths. Our ProWD largely outperforms the baseline FL algorithms as well as naive approaches (e.g. grouped averaging) under the proposed BHFL scenario.

Due to the rise of privacy concerns, in many practical applications the training data is aggregated before being shared with the learner, in order to protect privacy of users' sensitive responses. In an aggregate learning framework, the dataset is grouped into bags of samples, where each bag is available only with an aggregate response, providing a summary of individuals' responses in that bag. In this paper, we study two natural loss functions for learning from aggregate responses: bag-level loss and the instance-level loss. In the former, the model is learnt by minimizing a loss between aggregate responses and aggregate model predictions, while in the latter the model aims to fit individual predictions to the aggregate responses. In this work, we show that the instance-level loss can be perceived as a regularized form of the bag-level loss. This observation lets us compare the two approaches with respect to bias and variance of the resulting estimators, and introduce a novel interpolating estimator which combines the two approaches. For linear regression tasks, we provide a precise characterization of the risk of the interpolating estimator in an asymptotic regime where the size of the training set grows in proportion to the features dimension. Our analysis allows us to theoretically understand the effect of different factors, such as bag size on the model prediction risk. In addition, we propose a mechanism for differentially private learning from aggregate responses and derive the optimal bag size in terms of prediction risk-privacy trade-off. We also carry out thorough experiments to corroborate our theory and show the efficacy of the interpolating estimator.

Loss of plasticity is a phenomenon where neural networks become more difficult to train during the course of learning. Continual learning algorithms seek to mitigate this effect by sustaining good predictive performance while maintaining network trainability. We develop new techniques for improving continual learning by first reconsidering how initialization can ensure trainability during early phases of learning. From this perspective, we derive new regularization strategies for continual learning that ensure beneficial initialization properties are better maintained throughout training. In particular, we investigate two new regularization techniques for continual learning: (i) Wasserstein regularization toward the initial weight distribution, which is less restrictive than regularizing toward initial weights; and (ii) regularizing weight matrix singular values, which directly ensures gradient diversity is maintained throughout training. We present an experimental analysis that shows these alternative regularizers can improve continual learning performance across a range of supervised learning tasks and model architectures. The alternative regularizers prove to be less sensitive to hyperparameters while demonstrating better training in individual tasks, sustaining trainability as new tasks arrive, and achieving better generalization performance.

We introduce a novel and general loss function, called Symmetric Contrastive (Sy-CON) loss, for effective continual self-supervised learning (CSSL). We first argue that the conventional loss form of continual learning which consists of single task-specific loss (for plasticity) and a regularizer (for stability) may not be ideal for contrastive loss based CSSL that focus on representation learning. Our reasoning is that, in contrastive learning based methods, the task-specific loss would suffer from decreasing diversity of negative samples and the regularizer may hinder learning new distinctive representations. To that end, we propose Sy-CON that consists of two losses (one for plasticity and the other for stability) with symmetric dependence on current and past models' negative sample embeddings. We argue our model can naturally find good trade-off between the plasticity and stability without any explicit hyperparameter tuning. We validate the effectiveness of our approach through extensive experiments, demonstrating that MoCo-based implementation of Sy-CON loss achieves superior performance compared to other state-of-the-art CSSL methods.

Although deep neural networks achieve tremendous success on various classification tasks, the generalization ability drops sheer when training datasets exhibit long-tailed distributions. One of the reasons is that the learned representations (i.e. features) from the imbalanced datasets are less effective than those from balanced datasets. Specifically, the learned representation under class-balanced distribution will present the Neural Collapse (NC) phenomena. NC indicates the features from the same category are close to each other and from different categories are maximally distant, showing an optimal linear separable state of classification. However, the pattern differs on imbalanced datasets and is partially responsible for the reduced performance of the model. In this work, we propose two explicit feature regularization terms to learn high-quality representation for class-imbalanced data. With the proposed regularization, NC phenomena will appear under the class-imbalanced distribution, and the generalization ability can be significantly improved. Our method is easily implemented, highly effective, and can be plugged into most existing methods. The extensive experimental results on widely-used benchmarks show the effectiveness of our method

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.

In contrastive learning, two views of an original image, generated by different augmentations, are considered a positive pair, and their similarity is required to be high. Similarly, two views of distinct images form a negative pair, with encouraged low similarity. Typically, a single similarity measure, provided by a lone projection head, evaluates positive and negative sample pairs. However, due to diverse augmentation strategies and varying intra-sample similarity, views from the same image may not always be similar. Additionally, owing to inter-sample similarity, views from different images may be more akin than those from the same image. Consequently, enforcing high similarity for positive pairs and low similarity for negative pairs may be unattainable, and in some cases, such enforcement could detrimentally impact performance. To address this challenge, we propose using multiple projection heads, each producing a distinct set of features. Our pre-training loss function emerges from a solution to the maximum likelihood estimation over head-wise posterior distributions of positive samples given observations. This loss incorporates the similarity measure over positive and negative pairs, each re-weighted by an individual adaptive temperature, regulated to prevent ill solutions. Our approach, Adaptive Multi-Head Contrastive Learning (AMCL), can be applied to and experimentally enhances several popular contrastive learning methods such as SimCLR, MoCo, and Barlow Twins. The improvement remains consistent across various backbones and linear probing epochs, and becomes more significant when employing multiple augmentation methods.

Diffusion models have demonstrated compelling generation quality by optimizing the variational lower bound through a simple denoising score matching loss. In this paper, we provide theoretical evidence that the prevailing practice of using a constant loss weight strategy in diffusion models leads to biased estimation during the training phase. Simply optimizing the denoising network to predict Gaussian noise with constant weighting may hinder precise estimations of original images. To address the issue, we propose an elegant and effective weighting strategy grounded in the theoretically unbiased principle. Moreover, we conduct a comprehensive and systematic exploration to dissect the inherent bias problem deriving from constant weighting loss from the perspectives of its existence, impact and reasons. These analyses are expected to advance our understanding and demystify the inner workings of diffusion models. Through empirical evaluation, we demonstrate that our proposed debiased estimation method significantly enhances sample quality without the reliance on complex techniques, and exhibits improved efficiency compared to the baseline method both in training and sampling processes.

Model calibration aims to align confidence with prediction correctness. The Cross-Entropy (CE) loss is widely used for calibrator training, which enforces the model to increase confidence on the ground truth class. However, we find the CE loss has intrinsic limitations. For example, for a narrow misclassification, a calibrator trained by the CE loss often produces high confidence on the wrongly predicted class (e.g., a test sample is wrongly classified and its softmax score on the ground truth class is around 0.4), which is undesirable. In this paper, we propose a new post-hoc calibration objective derived from the aim of calibration. Intuitively, the proposed objective function asks that the calibrator decrease model confidence on wrongly predicted samples and increase confidence on correctly predicted samples. Because a sample itself has insufficient ability to indicate correctness, we use its transformed versions (e.g., rotated, greyscaled and color-jittered) during calibrator training. Trained on an in-distribution validation set and tested with isolated, individual test samples, our method achieves competitive calibration performance on both in-distribution and out-of-distribution test sets compared with the state of the art. Further, our analysis points out the difference between our method and commonly used objectives such as CE loss and mean square error loss, where the latters sometimes deviates from the calibration aim.

This paper presents a whitening-based contrastive learning method for sentence embedding learning (WhitenedCSE), which combines contrastive learning with a novel shuffled group whitening. Generally, contrastive learning pulls distortions of a single sample (i.e., positive samples) close and push negative samples far away, correspondingly facilitating the alignment and uniformity in the feature space. A popular alternative to the "pushing'' operation is whitening the feature space, which scatters all the samples for uniformity. Since the whitening and the contrastive learning have large redundancy w.r.t. the uniformity, they are usually used separately and do not easily work together. For the first time, this paper integrates whitening into the contrastive learning scheme and facilitates two benefits. 1) Better uniformity. We find that these two approaches are not totally redundant but actually have some complementarity due to different uniformity mechanism. 2) Better alignment. We randomly divide the feature into multiple groups along the channel axis and perform whitening independently within each group. By shuffling the group division, we derive multiple distortions of a single sample and thus increase the positive sample diversity. Consequently, using multiple positive samples with enhanced diversity further improves contrastive learning due to better alignment. Extensive experiments on seven semantic textual similarity tasks show our method achieves consistent improvement over the contrastive learning baseline and sets new states of the art, e.g., 78.78\% (+2.53\% based on BERT\ba) Spearman correlation on STS tasks.

Due to domain shift, machine learning systems typically fail to generalize well to domains different from those of training data, which is what domain generalization (DG) aims to address. Although various DG methods have been developed, most of them lack interpretability and require domain labels that are not available in many real-world scenarios. This paper presents a novel DG method, called HMOE: Hypernetwork-based Mixture of Experts (MoE), which does not rely on domain labels and is more interpretable. MoE proves effective in identifying heterogeneous patterns in data. For the DG problem, heterogeneity arises exactly from domain shift. HMOE uses hypernetworks taking vectors as input to generate experts' weights, which allows experts to share useful meta-knowledge and enables exploring experts' similarities in a low-dimensional vector space. We compare HMOE with other DG algorithms under a fair and unified benchmark-DomainBed. Our extensive experiments show that HMOE can divide mixed-domain data into distinct clusters that are surprisingly more consistent with human intuition than original domain labels. Compared to other DG methods, HMOE shows competitive performance and achieves SOTA results in some cases.

We propose a simple pairwise sigmoid loss for image-text pre-training. Unlike standard contrastive learning with softmax normalization, the sigmoid loss operates solely on image-text pairs and does not require a global view of the pairwise similarities for normalization. The sigmoid loss simultaneously allows further scaling up the batch size, while also performing better at smaller batch sizes. With only four TPUv4 chips, we can train a Base CLIP model at 4k batch size and a Large LiT model at 20k batch size, the latter achieves 84.5% ImageNet zero-shot accuracy in two days. This disentanglement of the batch size from the loss further allows us to study the impact of examples vs pairs and negative to positive ratio. Finally, we push the batch size to the extreme, up to one million, and find that the benefits of growing batch size quickly diminish, with a more reasonable batch size of 32k being sufficient. We hope our research motivates further explorations in improving the quality and efficiency of language-image pre-training.

Many studies on scaling laws consider basic factors such as model size, model shape, dataset size, and compute power. These factors are easily tunable and represent the fundamental elements of any machine learning setup. But researchers have also employed more complex factors to estimate the test error and generalization performance with high predictability. These factors are generally specific to the domain or application. For example, feature diversity was primarily used for promoting syn-to-real transfer by Chen et al. (2021). With numerous scaling factors defined in previous works, it would be interesting to investigate how these factors may affect overall generalization performance in the context of self-supervised learning with CNN models. How do individual factors promote generalization, which includes varying depth, width, or the number of training epochs with early stopping? For example, does higher feature diversity result in higher accuracy held in complex settings other than a syn-to-real transfer? How do these factors depend on each other? We found that the last layer is the most diversified throughout the training. However, while the model's test error decreases with increasing epochs, its diversity drops. We also discovered that diversity is directly related to model width.

Dropout is a simple but efficient regularization technique for achieving better generalization of deep neural networks (DNNs); hence it is widely used in tasks based on DNNs. During training, dropout randomly discards a portion of the neurons to avoid overfitting. This paper presents an enhanced dropout technique, which we call multi-sample dropout, for both accelerating training and improving generalization over the original dropout. The original dropout creates a randomly selected subset (called a dropout sample) from the input in each training iteration while the multi-sample dropout creates multiple dropout samples. The loss is calculated for each sample, and then the sample losses are averaged to obtain the final loss. This technique can be easily implemented by duplicating a part of the network after the dropout layer while sharing the weights among the duplicated fully connected layers. Experimental results using image classification tasks including ImageNet, CIFAR-10, and CIFAR-100 showed that multi-sample dropout accelerates training. Moreover, the networks trained using multi-sample dropout achieved lower error rates compared to networks trained with the original dropout. The additional computation cost due to the duplicated operations is not significant for deep convolutional networks because most of the computation time is consumed in the convolution layers before the dropout layer, which are not duplicated.

Data heterogeneity in federated learning, characterized by a significant misalignment between local and global distributions, leads to divergent local optimization directions and hinders global model training. Existing studies mainly focus on optimizing local updates or global aggregation, but these indirect approaches demonstrate instability when handling highly heterogeneous data distributions, especially in scenarios where label skew and domain skew coexist. To address this, we propose a geometry-guided data generation method that centers on simulating the global embedding distribution locally. We first introduce the concept of the geometric shape of an embedding distribution and then address the challenge of obtaining global geometric shapes under privacy constraints. Subsequently, we propose GGEUR, which leverages global geometric shapes to guide the generation of new samples, enabling a closer approximation to the ideal global distribution. In single-domain scenarios, we augment samples based on global geometric shapes to enhance model generalization; in multi-domain scenarios, we further employ class prototypes to simulate the global distribution across domains. Extensive experimental results demonstrate that our method significantly enhances the performance of existing approaches in handling highly heterogeneous data, including scenarios with label skew, domain skew, and their coexistence. Code published at: https://github.com/WeiDai-David/2025CVPR_GGEUR

The rapid adoption of text-to-image diffusion models in society underscores an urgent need to address their biases. Without interventions, these biases could propagate a skewed worldview and restrict opportunities for minority groups. In this work, we frame fairness as a distributional alignment problem. Our solution consists of two main technical contributions: (1) a distributional alignment loss that steers specific characteristics of the generated images towards a user-defined target distribution, and (2) adjusted direct finetuning of diffusion model's sampling process (adjusted DFT), which leverages an adjusted gradient to directly optimize losses defined on the generated images. Empirically, our method markedly reduces gender, racial, and their intersectional biases for occupational prompts. Gender bias is significantly reduced even when finetuning just five soft tokens. Crucially, our method supports diverse perspectives of fairness beyond absolute equality, which is demonstrated by controlling age to a 75% young and 25% old distribution while simultaneously debiasing gender and race. Finally, our method is scalable: it can debias multiple concepts at once by simply including these prompts in the finetuning data. We share code and various fair diffusion model adaptors at https://sail-sg.github.io/finetune-fair-diffusion/.

Modern deep neural networks have achieved impressive performance on tasks from image classification to natural language processing. Surprisingly, these complex systems with massive amounts of parameters exhibit the same structural properties in their last-layer features and classifiers across canonical datasets when training until convergence. In particular, it has been observed that the last-layer features collapse to their class-means, and those class-means are the vertices of a simplex Equiangular Tight Frame (ETF). This phenomenon is known as Neural Collapse (NC). Recent papers have theoretically shown that NC emerges in the global minimizers of training problems with the simplified "unconstrained feature model". In this context, we take a step further and prove the NC occurrences in deep linear networks for the popular mean squared error (MSE) and cross entropy (CE) losses, showing that global solutions exhibit NC properties across the linear layers. Furthermore, we extend our study to imbalanced data for MSE loss and present the first geometric analysis of NC under bias-free setting. Our results demonstrate the convergence of the last-layer features and classifiers to a geometry consisting of orthogonal vectors, whose lengths depend on the amount of data in their corresponding classes. Finally, we empirically validate our theoretical analyses on synthetic and practical network architectures with both balanced and imbalanced scenarios.

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.

Federated learning (FL) is a distributed learning method that offers medical institutes the prospect of collaboration in a global model while preserving the privacy of their patients. Although most medical centers conduct similar medical imaging tasks, their differences, such as specializations, number of patients, and devices, lead to distinctive data distributions. Data heterogeneity poses a challenge for FL and the personalization of the local models. In this work, we investigate an adaptive hierarchical clustering method for FL to produce intermediate semi-global models, so clients with similar data distribution have the chance of forming a more specialized model. Our method forms several clusters consisting of clients with the most similar data distributions; then, each cluster continues to train separately. Inside the cluster, we use meta-learning to improve the personalization of the participants' models. We compare the clustering approach with classical FedAvg and centralized training by evaluating our proposed methods on the HAM10k dataset for skin lesion classification with extreme heterogeneous data distribution. Our experiments demonstrate significant performance gain in heterogeneous distribution compared to standard FL methods in classification accuracy. Moreover, we show that the models converge faster if applied in clusters and outperform centralized training while using only a small subset of data.

In this work, we study the evolution of the loss Hessian across many classification tasks in order to understand the effect the curvature of the loss has on the training dynamics. Whereas prior work has focused on how different learning rates affect the loss Hessian observed during training, we also analyze the effects of model initialization, architectural choices, and common training heuristics such as gradient clipping and learning rate warmup. Our results demonstrate that successful model and hyperparameter choices allow the early optimization trajectory to either avoid -- or navigate out of -- regions of high curvature and into flatter regions that tolerate a higher learning rate. Our results suggest a unifying perspective on how disparate mitigation strategies for training instability ultimately address the same underlying failure mode of neural network optimization, namely poor conditioning. Inspired by the conditioning perspective, we show that learning rate warmup can improve training stability just as much as batch normalization, layer normalization, MetaInit, GradInit, and Fixup initialization.

Federated Learning (FL) is a machine learning paradigm that safeguards privacy by retaining client data on edge devices. However, optimizing FL in practice can be challenging due to the diverse and heterogeneous nature of the learning system. Though recent research has focused on improving the optimization of FL when distribution shifts occur among clients, ensuring global performance when multiple types of distribution shifts occur simultaneously among clients -- such as feature distribution shift, label distribution shift, and concept shift -- remain under-explored. In this paper, we identify the learning challenges posed by the simultaneous occurrence of diverse distribution shifts and propose a clustering principle to overcome these challenges. Through our research, we find that existing methods fail to address the clustering principle. Therefore, we propose a novel clustering algorithm framework, dubbed as FedRC, which adheres to our proposed clustering principle by incorporating a bi-level optimization problem and a novel objective function. Extensive experiments demonstrate that FedRC significantly outperforms other SOTA cluster-based FL methods. Our code is available at https://github.com/LINs-lab/FedRC.

For Mixture-of-Experts (MoE) models, an unbalanced expert load will lead to routing collapse or increased computational overhead. Existing methods commonly employ an auxiliary loss to encourage load balance, but a large auxiliary loss will introduce non-negligible interference gradients into training and thus impair the model performance. In order to control load balance while not producing undesired gradients during training, we propose Loss-Free Balancing, featured by an auxiliary-loss-free load balancing strategy. To be specific, before the top-K routing decision, Loss-Free Balancing will first apply an expert-wise bias to the routing scores of each expert. By dynamically updating the bias of each expert according to its recent load, Loss-Free Balancing can consistently maintain a balanced distribution of expert load. In addition, since Loss-Free Balancing does not produce any interference gradients, it also elevates the upper bound of model performance gained from MoE training. We validate the performance of Loss-Free Balancing on MoE models with up to 3B parameters trained on up to 200B tokens. Experimental results show that Loss-Free Balancing achieves both better performance and better load balance compared with traditional auxiliary-loss-controlled load balancing strategies.

In most machine learning tasks, we evaluate a model M on a given data population S by measuring a population-level metric F(S;M). Examples of such evaluation metric F include precision/recall for (binary) recognition, the F1 score for multi-class classification, and the BLEU metric for language generation. On the other hand, the model M is trained by optimizing a sample-level loss G(S_t;M) at each learning step t, where S_t is a subset of S (a.k.a. the mini-batch). Popular choices of G include cross-entropy loss, the Dice loss, and sentence-level BLEU scores. A fundamental assumption behind this paradigm is that the mean value of the sample-level loss G, if averaged over all possible samples, should effectively represent the population-level metric F of the task, such as, that E[ G(S_t;M) ] approx F(S;M). In this paper, we systematically investigate the above assumption in several NLP tasks. We show, both theoretically and experimentally, that some popular designs of the sample-level loss G may be inconsistent with the true population-level metric F of the task, so that models trained to optimize the former can be substantially sub-optimal to the latter, a phenomenon we call it, Simpson's bias, due to its deep connections with the classic paradox known as Simpson's reversal paradox in statistics and social sciences.

Based on the theory of homogeneous spaces we derive geometrically optimal edge attributes to be used within the flexible message-passing framework. We formalize the notion of weight sharing in convolutional networks as the sharing of message functions over point-pairs that should be treated equally. We define equivalence classes of point-pairs that are identical up to a transformation in the group and derive attributes that uniquely identify these classes. Weight sharing is then obtained by conditioning message functions on these attributes. As an application of the theory, we develop an efficient equivariant group convolutional network for processing 3D point clouds. The theory of homogeneous spaces tells us how to do group convolutions with feature maps over the homogeneous space of positions R^3, position and orientations R^3 {times} S^2, and the group SE(3) itself. Among these, R^3 {times} S^2 is an optimal choice due to the ability to represent directional information, which R^3 methods cannot, and it significantly enhances computational efficiency compared to indexing features on the full SE(3) group. We support this claim with state-of-the-art results -- in accuracy and speed -- on five different benchmarks in 2D and 3D, including interatomic potential energy prediction, trajectory forecasting in N-body systems, and generating molecules via equivariant diffusion models.

Modern distributed training relies heavily on communication compression to reduce the communication overhead. In this work, we study algorithms employing a popular class of contractive compressors in order to reduce communication overhead. However, the naive implementation often leads to unstable convergence or even exponential divergence due to the compression bias. Error Compensation (EC) is an extremely popular mechanism to mitigate the aforementioned issues during the training of models enhanced by contractive compression operators. Compared to the effectiveness of EC in the data homogeneous regime, the understanding of the practicality and theoretical foundations of EC in the data heterogeneous regime is limited. Existing convergence analyses typically rely on strong assumptions such as bounded gradients, bounded data heterogeneity, or large batch accesses, which are often infeasible in modern machine learning applications. We resolve the majority of current issues by proposing EControl, a novel mechanism that can regulate error compensation by controlling the strength of the feedback signal. We prove fast convergence for EControl in standard strongly convex, general convex, and nonconvex settings without any additional assumptions on the problem or data heterogeneity. We conduct extensive numerical evaluations to illustrate the efficacy of our method and support our theoretical findings.

Cross-entropy is a widely used loss function in applications. It coincides with the logistic loss applied to the outputs of a neural network, when the softmax is used. But, what guarantees can we rely on when using cross-entropy as a surrogate loss? We present a theoretical analysis of a broad family of loss functions, comp-sum losses, that includes cross-entropy (or logistic loss), generalized cross-entropy, the mean absolute error and other cross-entropy-like loss functions. We give the first H-consistency bounds for these loss functions. These are non-asymptotic guarantees that upper bound the zero-one loss estimation error in terms of the estimation error of a surrogate loss, for the specific hypothesis set H used. We further show that our bounds are tight. These bounds depend on quantities called minimizability gaps. To make them more explicit, we give a specific analysis of these gaps for comp-sum losses. We also introduce a new family of loss functions, smooth adversarial comp-sum losses, that are derived from their comp-sum counterparts by adding in a related smooth term. We show that these loss functions are beneficial in the adversarial setting by proving that they admit H-consistency bounds. This leads to new adversarial robustness algorithms that consist of minimizing a regularized smooth adversarial comp-sum loss. While our main purpose is a theoretical analysis, we also present an extensive empirical analysis comparing comp-sum losses. We further report the results of a series of experiments demonstrating that our adversarial robustness algorithms outperform the current state-of-the-art, while also achieving a superior non-adversarial accuracy.

Much research in machine learning involves finding appropriate inductive biases (e.g. convolutional neural networks, momentum-based optimizers, transformers) to promote generalization on tasks. However, quantification of the amount of inductive bias associated with these architectures and hyperparameters has been limited. We propose a novel method for efficiently computing the inductive bias required for generalization on a task with a fixed training data budget; formally, this corresponds to the amount of information required to specify well-generalizing models within a specific hypothesis space of models. Our approach involves modeling the loss distribution of random hypotheses drawn from a hypothesis space to estimate the required inductive bias for a task relative to these hypotheses. Unlike prior work, our method provides a direct estimate of inductive bias without using bounds and is applicable to diverse hypothesis spaces. Moreover, we derive approximation error bounds for our estimation approach in terms of the number of sampled hypotheses. Consistent with prior results, our empirical results demonstrate that higher dimensional tasks require greater inductive bias. We show that relative to other expressive model classes, neural networks as a model class encode large amounts of inductive bias. Furthermore, our measure quantifies the relative difference in inductive bias between different neural network architectures. Our proposed inductive bias metric provides an information-theoretic interpretation of the benefits of specific model architectures for certain tasks and provides a quantitative guide to developing tasks requiring greater inductive bias, thereby encouraging the development of more powerful inductive biases.

Cross-entropy loss and focal loss are the most common choices when training deep neural networks for classification problems. Generally speaking, however, a good loss function can take on much more flexible forms, and should be tailored for different tasks and datasets. Motivated by how functions can be approximated via Taylor expansion, we propose a simple framework, named PolyLoss, to view and design loss functions as a linear combination of polynomial functions. Our PolyLoss allows the importance of different polynomial bases to be easily adjusted depending on the targeting tasks and datasets, while naturally subsuming the aforementioned cross-entropy loss and focal loss as special cases. Extensive experimental results show that the optimal choice within the PolyLoss is indeed dependent on the task and dataset. Simply by introducing one extra hyperparameter and adding one line of code, our Poly-1 formulation outperforms the cross-entropy loss and focal loss on 2D image classification, instance segmentation, object detection, and 3D object detection tasks, sometimes by a large margin.

Supervised contrastive loss (SCL) is a competitive and often superior alternative to the cross-entropy loss for classification. While prior studies have demonstrated that both losses yield symmetric training representations under balanced data, this symmetry breaks under class imbalances. This paper presents an intriguing discovery: the introduction of a ReLU activation at the final layer effectively restores the symmetry in SCL-learned representations. We arrive at this finding analytically, by establishing that the global minimizers of an unconstrained features model with SCL loss and entry-wise non-negativity constraints form an orthogonal frame. Extensive experiments conducted across various datasets, architectures, and imbalance scenarios corroborate our finding. Importantly, our experiments reveal that the inclusion of the ReLU activation restores symmetry without compromising test accuracy. This constitutes the first geometry characterization of SCL under imbalances. Additionally, our analysis and experiments underscore the pivotal role of batch selection strategies in representation geometry. By proving necessary and sufficient conditions for mini-batch choices that ensure invariant symmetric representations, we introduce batch-binding as an efficient strategy that guarantees these conditions hold.

There is a widely-spread claim that GANs are difficult to train, and GAN architectures in the literature are littered with empirical tricks. We provide evidence against this claim and build a modern GAN baseline in a more principled manner. First, we derive a well-behaved regularized relativistic GAN loss that addresses issues of mode dropping and non-convergence that were previously tackled via a bag of ad-hoc tricks. We analyze our loss mathematically and prove that it admits local convergence guarantees, unlike most existing relativistic losses. Second, our new loss allows us to discard all ad-hoc tricks and replace outdated backbones used in common GANs with modern architectures. Using StyleGAN2 as an example, we present a roadmap of simplification and modernization that results in a new minimalist baseline -- R3GAN. Despite being simple, our approach surpasses StyleGAN2 on FFHQ, ImageNet, CIFAR, and Stacked MNIST datasets, and compares favorably against state-of-the-art GANs and diffusion models.

This paper studies the prediction of a target z from a pair of random variables (x,y), where the ground-truth predictor is additive E[z mid x,y] = f_star(x) +g_{star}(y). We study the performance of empirical risk minimization (ERM) over functions f+g, f in F and g in G, fit on a given training distribution, but evaluated on a test distribution which exhibits covariate shift. We show that, when the class F is "simpler" than G (measured, e.g., in terms of its metric entropy), our predictor is more resilient to heterogenous covariate shifts in which the shift in x is much greater than that in y. These results rely on a novel H\"older style inequality for the Dudley integral which may be of independent interest. Moreover, we corroborate our theoretical findings with experiments demonstrating improved resilience to shifts in "simpler" features across numerous domains.

We study the problem of classification with a reject option for a fixed predictor, applicable in natural language processing. We introduce a new problem formulation for this scenario, and an algorithm minimizing a new surrogate loss function. We provide a complete theoretical analysis of the surrogate loss function with a strong H-consistency guarantee. For evaluation, we choose the decontextualization task, and provide a manually-labelled dataset of 2mathord,000 examples. Our algorithm significantly outperforms the baselines considered, with a sim!!25% improvement in coverage when halving the error rate, which is only sim!! 3 % away from the theoretical limit.

Mixture of Experts (MoE) offers remarkable performance and computational efficiency by selectively activating subsets of model parameters. Traditionally, MoE models use homogeneous experts, each with identical capacity. However, varying complexity in input data necessitates experts with diverse capabilities, while homogeneous MoE hinders effective expert specialization and efficient parameter utilization. In this study, we propose a novel Heterogeneous Mixture of Experts (HMoE), where experts differ in size and thus possess diverse capacities. This heterogeneity allows for more specialized experts to handle varying token complexities more effectively. To address the imbalance in expert activation, we propose a novel training objective that encourages the frequent activation of smaller experts, enhancing computational efficiency and parameter utilization. Extensive experiments demonstrate that HMoE achieves lower loss with fewer activated parameters and outperforms conventional homogeneous MoE models on various pre-training evaluation benchmarks. Codes will be released upon acceptance.

Deep co-training has been introduced to semi-supervised segmentation and achieves impressive results, yet few studies have explored the working mechanism behind it. In this work, we revisit the core assumption that supports co-training: multiple compatible and conditionally independent views. By theoretically deriving the generalization upper bound, we prove the prediction similarity between two models negatively impacts the model's generalization ability. However, most current co-training models are tightly coupled together and violate this assumption. Such coupling leads to the homogenization of networks and confirmation bias which consequently limits the performance. To this end, we explore different dimensions of co-training and systematically increase the diversity from the aspects of input domains, different augmentations and model architectures to counteract homogenization. Our Diverse Co-training outperforms the state-of-the-art (SOTA) methods by a large margin across different evaluation protocols on the Pascal and Cityscapes. For example. we achieve the best mIoU of 76.2%, 77.7% and 80.2% on Pascal with only 92, 183 and 366 labeled images, surpassing the previous best results by more than 5%.

Contrastive representation learning has been outstandingly successful in practice. In this work, we identify two key properties related to the contrastive loss: (1) alignment (closeness) of features from positive pairs, and (2) uniformity of the induced distribution of the (normalized) features on the hypersphere. We prove that, asymptotically, the contrastive loss optimizes these properties, and analyze their positive effects on downstream tasks. Empirically, we introduce an optimizable metric to quantify each property. Extensive experiments on standard vision and language datasets confirm the strong agreement between both metrics and downstream task performance. Remarkably, directly optimizing for these two metrics leads to representations with comparable or better performance at downstream tasks than contrastive learning. Project Page: https://tongzhouwang.info/hypersphere Code: https://github.com/SsnL/align_uniform , https://github.com/SsnL/moco_align_uniform

Data imbalance is a common problem in machine learning that can have a critical effect on the performance of a model. Various solutions exist but their impact on the convergence of the learning dynamics is not understood. Here, we elucidate the significant negative impact of data imbalance on learning, showing that the learning curves for minority and majority classes follow sub-optimal trajectories when training with a gradient-based optimizer. This slowdown is related to the imbalance ratio and can be traced back to a competition between the optimization of different classes. Our main contribution is the analysis of the convergence of full-batch (GD) and stochastic gradient descent (SGD), and of variants that renormalize the contribution of each per-class gradient. We find that GD is not guaranteed to decrease the loss for each class but that this problem can be addressed by performing a per-class normalization of the gradient. With SGD, class imbalance has an additional effect on the direction of the gradients: the minority class suffers from a higher directional noise, which reduces the effectiveness of the per-class gradient normalization. Our findings not only allow us to understand the potential and limitations of strategies involving the per-class gradients, but also the reason for the effectiveness of previously used solutions for class imbalance such as oversampling.

Whitening loss offers a theoretical guarantee against feature collapse in self-supervised learning (SSL) with joint embedding architectures. Typically, it involves a hard whitening approach, transforming the embedding and applying loss to the whitened output. In this work, we introduce Spectral Transformation (ST), a framework to modulate the spectrum of embedding and to seek for functions beyond whitening that can avoid dimensional collapse. We show that whitening is a special instance of ST by definition, and our empirical investigations unveil other ST instances capable of preventing collapse. Additionally, we propose a novel ST instance named IterNorm with trace loss (INTL). Theoretical analysis confirms INTL's efficacy in preventing collapse and modulating the spectrum of embedding toward equal-eigenvalues during optimization. Our experiments on ImageNet classification and COCO object detection demonstrate INTL's potential in learning superior representations. The code is available at https://github.com/winci-ai/INTL.

While prior domain generalization (DG) benchmarks consider train-test dataset heterogeneity, we evaluate Federated DG which introduces federated learning (FL) specific challenges. Additionally, we explore domain-based heterogeneity in clients' local datasets - a realistic Federated DG scenario. Prior Federated DG evaluations are limited in terms of the number or heterogeneity of clients and dataset diversity. To address this gap, we propose an Federated DG benchmark methodology that enables control of the number and heterogeneity of clients and provides metrics for dataset difficulty. We then apply our methodology to evaluate 13 Federated DG methods, which include centralized DG methods adapted to the FL context, FL methods that handle client heterogeneity, and methods designed specifically for Federated DG. Our results suggest that despite some progress, there remain significant performance gaps in Federated DG particularly when evaluating with a large number of clients, high client heterogeneity, or more realistic datasets. Please check our extendable benchmark code here: https://github.com/inouye-lab/FedDG_Benchmark.

Cross-device Federated Learning (FL) faces significant challenges where low-end clients that could potentially make unique contributions are excluded from training large models due to their resource bottlenecks. Recent research efforts have focused on model-heterogeneous FL, by extracting reduced-size models from the global model and applying them to local clients accordingly. Despite the empirical success, general theoretical guarantees of convergence on this method remain an open question. This paper presents a unifying framework for heterogeneous FL algorithms with online model extraction and provides a general convergence analysis for the first time. In particular, we prove that under certain sufficient conditions and for both IID and non-IID data, these algorithms converge to a stationary point of standard FL for general smooth cost functions. Moreover, we introduce the concept of minimum coverage index, together with model reduction noise, which will determine the convergence of heterogeneous federated learning, and therefore we advocate for a holistic approach that considers both factors to enhance the efficiency of heterogeneous federated learning.

Standard neural networks struggle to generalize under distribution shifts in computer vision. Fortunately, combining multiple networks can consistently improve out-of-distribution generalization. In particular, weight averaging (WA) strategies were shown to perform best on the competitive DomainBed benchmark; they directly average the weights of multiple networks despite their nonlinearities. In this paper, we propose Diverse Weight Averaging (DiWA), a new WA strategy whose main motivation is to increase the functional diversity across averaged models. To this end, DiWA averages weights obtained from several independent training runs: indeed, models obtained from different runs are more diverse than those collected along a single run thanks to differences in hyperparameters and training procedures. We motivate the need for diversity by a new bias-variance-covariance-locality decomposition of the expected error, exploiting similarities between WA and standard functional ensembling. Moreover, this decomposition highlights that WA succeeds when the variance term dominates, which we show occurs when the marginal distribution changes at test time. Experimentally, DiWA consistently improves the state of the art on DomainBed without inference overhead.

In federated learning (FL), weighted aggregation of local models is conducted to generate a global model, and the aggregation weights are normalized (the sum of weights is 1) and proportional to the local data sizes. In this paper, we revisit the weighted aggregation process and gain new insights into the training dynamics of FL. First, we find that the sum of weights can be smaller than 1, causing global weight shrinking effect (analogous to weight decay) and improving generalization. We explore how the optimal shrinking factor is affected by clients' data heterogeneity and local epochs. Second, we dive into the relative aggregation weights among clients to depict the clients' importance. We develop client coherence to study the learning dynamics and find a critical point that exists. Before entering the critical point, more coherent clients play more essential roles in generalization. Based on the above insights, we propose an effective method for Federated Learning with Learnable Aggregation Weights, named as FedLAW. Extensive experiments verify that our method can improve the generalization of the global model by a large margin on different datasets and models.

Collaborative filtering (CF) is a widely studied research topic in recommender systems. The learning of a CF model generally depends on three major components, namely interaction encoder, loss function, and negative sampling. While many existing studies focus on the design of more powerful interaction encoders, the impacts of loss functions and negative sampling ratios have not yet been well explored. In this work, we show that the choice of loss function as well as negative sampling ratio is equivalently important. More specifically, we propose the cosine contrastive loss (CCL) and further incorporate it to a simple unified CF model, dubbed SimpleX. Extensive experiments have been conducted on 11 benchmark datasets and compared with 29 existing CF models in total. Surprisingly, the results show that, under our CCL loss and a large negative sampling ratio, SimpleX can surpass most sophisticated state-of-the-art models by a large margin (e.g., max 48.5% improvement in NDCG@20 over LightGCN). We believe that SimpleX could not only serve as a simple strong baseline to foster future research on CF, but also shed light on the potential research direction towards improving loss function and negative sampling. Our source code will be available at https://reczoo.github.io/SimpleX.

Image-to-image translation is a class of vision and graphics problems where the goal is to learn the mapping between an input image and an output image using a training set of aligned image pairs. However, for many tasks, paired training data will not be available. We present an approach for learning to translate an image from a source domain X to a target domain Y in the absence of paired examples. Our goal is to learn a mapping G: X rightarrow Y such that the distribution of images from G(X) is indistinguishable from the distribution Y using an adversarial loss. Because this mapping is highly under-constrained, we couple it with an inverse mapping F: Y rightarrow X and introduce a cycle consistency loss to push F(G(X)) approx X (and vice versa). Qualitative results are presented on several tasks where paired training data does not exist, including collection style transfer, object transfiguration, season transfer, photo enhancement, etc. Quantitative comparisons against several prior methods demonstrate the superiority of our approach.

Consistency models are a new family of generative models capable of producing high-quality samples in either a single step or multiple steps. Recently, consistency models have demonstrated impressive performance, achieving results on par with diffusion models in the pixel space. However, the success of scaling consistency training to large-scale datasets, particularly for text-to-image and video generation tasks, is determined by performance in the latent space. In this work, we analyze the statistical differences between pixel and latent spaces, discovering that latent data often contains highly impulsive outliers, which significantly degrade the performance of iCT in the latent space. To address this, we replace Pseudo-Huber losses with Cauchy losses, effectively mitigating the impact of outliers. Additionally, we introduce a diffusion loss at early timesteps and employ optimal transport (OT) coupling to further enhance performance. Lastly, we introduce the adaptive scaling-c scheduler to manage the robust training process and adopt Non-scaling LayerNorm in the architecture to better capture the statistics of the features and reduce outlier impact. With these strategies, we successfully train latent consistency models capable of high-quality sampling with one or two steps, significantly narrowing the performance gap between latent consistency and diffusion models. The implementation is released here: https://github.com/quandao10/sLCT/

We study empirical scaling laws for language model performance on the cross-entropy loss. The loss scales as a power-law with model size, dataset size, and the amount of compute used for training, with some trends spanning more than seven orders of magnitude. Other architectural details such as network width or depth have minimal effects within a wide range. Simple equations govern the dependence of overfitting on model/dataset size and the dependence of training speed on model size. These relationships allow us to determine the optimal allocation of a fixed compute budget. Larger models are significantly more sample-efficient, such that optimally compute-efficient training involves training very large models on a relatively modest amount of data and stopping significantly before convergence.

Diffusion models achieve great success in generating diverse and high-fidelity images. The performance improvements come with low generation speed per image, which hinders the application diffusion models in real-time scenarios. While some certain predictions benefit from the full computation of the model in each sample iteration, not every iteration requires the same amount of computation, potentially leading to computation waste. In this work, we propose DeeDiff, an early exiting framework that adaptively allocates computation resources in each sampling step to improve the generation efficiency of diffusion models. Specifically, we introduce a timestep-aware uncertainty estimation module (UEM) for diffusion models which is attached to each intermediate layer to estimate the prediction uncertainty of each layer. The uncertainty is regarded as the signal to decide if the inference terminates. Moreover, we propose uncertainty-aware layer-wise loss to fill the performance gap between full models and early-exited models. With such loss strategy, our model is able to obtain comparable results as full-layer models. Extensive experiments of class-conditional, unconditional, and text-guided generation on several datasets show that our method achieves state-of-the-art performance and efficiency trade-off compared with existing early exiting methods on diffusion models. More importantly, our method even brings extra benefits to baseline models and obtains better performance on CIFAR-10 and Celeb-A datasets. Full code and model are released for reproduction.

A deep hashing model typically has two main learning objectives: to make the learned binary hash codes discriminative and to minimize a quantization error. With further constraints such as bit balance and code orthogonality, it is not uncommon for existing models to employ a large number (>4) of losses. This leads to difficulties in model training and subsequently impedes their effectiveness. In this work, we propose a novel deep hashing model with only a single learning objective. Specifically, we show that maximizing the cosine similarity between the continuous codes and their corresponding binary orthogonal codes can ensure both hash code discriminativeness and quantization error minimization. Further, with this learning objective, code balancing can be achieved by simply using a Batch Normalization (BN) layer and multi-label classification is also straightforward with label smoothing. The result is an one-loss deep hashing model that removes all the hassles of tuning the weights of various losses. Importantly, extensive experiments show that our model is highly effective, outperforming the state-of-the-art multi-loss hashing models on three large-scale instance retrieval benchmarks, often by significant margins. Code is available at https://github.com/kamwoh/orthohash

Dynamic model pruning is a recent direction that allows for the inference of a different sub-network for each input sample during deployment. However, current dynamic methods rely on learning a continuous channel gating through regularization by inducing sparsity loss. This formulation introduces complexity in balancing different losses (e.g task loss, regularization loss). In addition, regularization based methods lack transparent tradeoff hyperparameter selection to realize a computational budget. Our contribution is two-fold: 1) decoupled task and pruning losses. 2) Simple hyperparameter selection that enables FLOPs reduction estimation before training. Inspired by the Hebbian theory in Neuroscience: "neurons that fire together wire together", we propose to predict a mask to process k filters in a layer based on the activation of its previous layer. We pose the problem as a self-supervised binary classification problem. Each mask predictor module is trained to predict if the log-likelihood for each filter in the current layer belongs to the top-k activated filters. The value k is dynamically estimated for each input based on a novel criterion using the mass of heatmaps. We show experiments on several neural architectures, such as VGG, ResNet and MobileNet on CIFAR and ImageNet datasets. On CIFAR, we reach similar accuracy to SOTA methods with 15% and 24% higher FLOPs reduction. Similarly in ImageNet, we achieve lower drop in accuracy with up to 13% improvement in FLOPs reduction.

The emergence of various adapters, including Low-Rank Adaptation (LoRA) applied from the field of natural language processing, has allowed diffusion models to personalize image generation at a low cost. However, due to the various challenges including limited datasets and shortage of regularization and computation resources, adapter training often results in unsatisfactory outcomes, leading to the corruption of the backbone model's prior knowledge. One of the well known phenomena is the loss of diversity in object generation, especially within the same class which leads to generating almost identical objects with minor variations. This poses challenges in generation capabilities. To solve this issue, we present Contrastive Adapter Training (CAT), a simple yet effective strategy to enhance adapter training through the application of CAT loss. Our approach facilitates the preservation of the base model's original knowledge when the model initiates adapters. Furthermore, we introduce the Knowledge Preservation Score (KPS) to evaluate CAT's ability to keep the former information. We qualitatively and quantitatively compare CAT's improvement. Finally, we mention the possibility of CAT in the aspects of multi-concept adapter and optimization.

Time Series Forecasting has been an active area of research due to its many applications ranging from network usage prediction, resource allocation, anomaly detection, and predictive maintenance. Numerous publications published in the last five years have proposed diverse sets of objective loss functions to address cases such as biased data, long-term forecasting, multicollinear features, etc. In this paper, we have summarized 14 well-known regression loss functions commonly used for time series forecasting and listed out the circumstances where their application can aid in faster and better model convergence. We have also demonstrated how certain categories of loss functions perform well across all data sets and can be considered as a baseline objective function in circumstances where the distribution of the data is unknown. Our code is available at GitHub: https://github.com/aryan-jadon/Regression-Loss-Functions-in-Time-Series-Forecasting-Tensorflow.

Existing losses used in deep metric learning (DML) for image retrieval often lead to highly non-uniform intra-class and inter-class representation structures across test classes and data distributions. When combined with the common practice of using a fixed threshold to declare a match, this gives rise to significant performance variations in terms of false accept rate (FAR) and false reject rate (FRR) across test classes and data distributions. We define this issue in DML as threshold inconsistency. In real-world applications, such inconsistency often complicates the threshold selection process when deploying commercial image retrieval systems. To measure this inconsistency, we propose a novel variance-based metric called Operating-Point-Inconsistency-Score (OPIS) that quantifies the variance in the operating characteristics across classes. Using the OPIS metric, we find that achieving high accuracy levels in a DML model does not automatically guarantee threshold consistency. In fact, our investigation reveals a Pareto frontier in the high-accuracy regime, where existing methods to improve accuracy often lead to degradation in threshold consistency. To address this trade-off, we introduce the Threshold-Consistent Margin (TCM) loss, a simple yet effective regularization technique that promotes uniformity in representation structures across classes by selectively penalizing hard sample pairs. Extensive experiments demonstrate TCM's effectiveness in enhancing threshold consistency while preserving accuracy, simplifying the threshold selection process in practical DML settings.

In the field of algorithmic fairness, significant attention has been put on group fairness criteria, such as Demographic Parity and Equalized Odds. Nevertheless, these objectives, measured as global averages, have raised concerns about persistent local disparities between sensitive groups. In this work, we address the problem of local fairness, which ensures that the predictor is unbiased not only in terms of expectations over the whole population, but also within any subregion of the feature space, unknown at training time. To enforce this objective, we introduce ROAD, a novel approach that leverages the Distributionally Robust Optimization (DRO) framework within a fair adversarial learning objective, where an adversary tries to infer the sensitive attribute from the predictions. Using an instance-level re-weighting strategy, ROAD is designed to prioritize inputs that are likely to be locally unfair, i.e. where the adversary faces the least difficulty in reconstructing the sensitive attribute. Numerical experiments demonstrate the effectiveness of our method: it achieves Pareto dominance with respect to local fairness and accuracy for a given global fairness level across three standard datasets, and also enhances fairness generalization under distribution shift.

We study a family of loss functions named label-distributionally robust (LDR) losses for multi-class classification that are formulated from distributionally robust optimization (DRO) perspective, where the uncertainty in the given label information are modeled and captured by taking the worse case of distributional weights. The benefits of this perspective are several fold: (i) it provides a unified framework to explain the classical cross-entropy (CE) loss and SVM loss and their variants, (ii) it includes a special family corresponding to the temperature-scaled CE loss, which is widely adopted but poorly understood; (iii) it allows us to achieve adaptivity to the uncertainty degree of label information at an instance level. Our contributions include: (1) we study both consistency and robustness by establishing top-k (forall kgeq 1) consistency of LDR losses for multi-class classification, and a negative result that a top-1 consistent and symmetric robust loss cannot achieve top-k consistency simultaneously for all kgeq 2; (2) we propose a new adaptive LDR loss that automatically adapts the individualized temperature parameter to the noise degree of class label of each instance; (3) we demonstrate stable and competitive performance for the proposed adaptive LDR loss on 7 benchmark datasets under 6 noisy label and 1 clean settings against 13 loss functions, and on one real-world noisy dataset. The code is open-sourced at https://github.com/Optimization-AI/ICML2023_LDR.

Federated learning (FL) is a distributed learning paradigm that enables multiple clients to learn a powerful global model by aggregating local training. However, the performance of the global model is often hampered by non-i.i.d. distribution among the clients, requiring extensive efforts to mitigate inter-client data heterogeneity. Going beyond inter-client data heterogeneity, we note that intra-client heterogeneity can also be observed on complex real-world data and seriously deteriorate FL performance. In this paper, we present a novel FL algorithm, i.e., FedIns, to handle intra-client data heterogeneity by enabling instance-adaptive inference in the FL framework. Instead of huge instance-adaptive models, we resort to a parameter-efficient fine-tuning method, i.e., scale and shift deep features (SSF), upon a pre-trained model. Specifically, we first train an SSF pool for each client, and aggregate these SSF pools on the server side, thus still maintaining a low communication cost. To enable instance-adaptive inference, for a given instance, we dynamically find the best-matched SSF subsets from the pool and aggregate them to generate an adaptive SSF specified for the instance, thereby reducing the intra-client as well as the inter-client heterogeneity. Extensive experiments show that our FedIns outperforms state-of-the-art FL algorithms, e.g., a 6.64\% improvement against the top-performing method with less than 15\% communication cost on Tiny-ImageNet. Our code and models will be publicly released.

Diffusion models are known to be vulnerable to outliers in training data. In this paper we study an alternative diffusion loss function, which can preserve the high quality of generated data like the original squared L_{2} loss while at the same time being robust to outliers. We propose to use pseudo-Huber loss function with a time-dependent parameter to allow for the trade-off between robustness on the most vulnerable early reverse-diffusion steps and fine details restoration on the final steps. We show that pseudo-Huber loss with the time-dependent parameter exhibits better performance on corrupted datasets in both image and audio domains. In addition, the loss function we propose can potentially help diffusion models to resist dataset corruption while not requiring data filtering or purification compared to conventional training algorithms.

Data augmentation is a crucial component in unsupervised contrastive learning (CL). It determines how positive samples are defined and, ultimately, the quality of the learned representation. In this work, we open the door to new perspectives for CL by integrating prior knowledge, given either by generative models -- viewed as prior representations -- or weak attributes in the positive and negative sampling. To this end, we use kernel theory to propose a novel loss, called decoupled uniformity, that i) allows the integration of prior knowledge and ii) removes the negative-positive coupling in the original InfoNCE loss. We draw a connection between contrastive learning and conditional mean embedding theory to derive tight bounds on the downstream classification loss. In an unsupervised setting, we empirically demonstrate that CL benefits from generative models to improve its representation both on natural and medical images. In a weakly supervised scenario, our framework outperforms other unconditional and conditional CL approaches.

While conditional diffusion models are known to have good coverage of the data distribution, they still face limitations in output diversity, particularly when sampled with a high classifier-free guidance scale for optimal image quality or when trained on small datasets. We attribute this problem to the role of the conditioning signal in inference and offer an improved sampling strategy for diffusion models that can increase generation diversity, especially at high guidance scales, with minimal loss of sample quality. Our sampling strategy anneals the conditioning signal by adding scheduled, monotonically decreasing Gaussian noise to the conditioning vector during inference to balance diversity and condition alignment. Our Condition-Annealed Diffusion Sampler (CADS) can be used with any pretrained model and sampling algorithm, and we show that it boosts the diversity of diffusion models in various conditional generation tasks. Further, using an existing pretrained diffusion model, CADS achieves a new state-of-the-art FID of 1.70 and 2.31 for class-conditional ImageNet generation at 256times256 and 512times512 respectively.

Uniformity plays a crucial role in the assessment of learned representations, contributing to a deeper comprehension of self-supervised learning. The seminal work by Wang2020UnderstandingCR introduced a uniformity metric that quantitatively measures the collapse degree of learned representations. Directly optimizing this metric together with alignment proves to be effective in preventing constant collapse. However, we present both theoretical and empirical evidence revealing that this metric lacks sensitivity to dimensional collapse, highlighting its limitations. To address this limitation and design a more effective uniformity metric, this paper identifies five fundamental properties, some of which the existing uniformity metric fails to meet. We subsequently introduce a novel uniformity metric that satisfies all of these desiderata and exhibits sensitivity to dimensional collapse. When applied as an auxiliary loss in various established self-supervised methods, our proposed uniformity metric consistently enhances their performance in downstream tasks.Our code was released at https://github.com/sunset-clouds/WassersteinUniformityMetric.

Federated Learning (FL) is an emerging distributed learning paradigm under privacy constraint. Data heterogeneity is one of the main challenges in FL, which results in slow convergence and degraded performance. Most existing approaches only tackle the heterogeneity challenge by restricting the local model update in client, ignoring the performance drop caused by direct global model aggregation. Instead, we propose a data-free knowledge distillation method to fine-tune the global model in the server (FedFTG), which relieves the issue of direct model aggregation. Concretely, FedFTG explores the input space of local models through a generator, and uses it to transfer the knowledge from local models to the global model. Besides, we propose a hard sample mining scheme to achieve effective knowledge distillation throughout the training. In addition, we develop customized label sampling and class-level ensemble to derive maximum utilization of knowledge, which implicitly mitigates the distribution discrepancy across clients. Extensive experiments show that our FedFTG significantly outperforms the state-of-the-art (SOTA) FL algorithms and can serve as a strong plugin for enhancing FedAvg, FedProx, FedDyn, and SCAFFOLD.

Macro-AUC is the arithmetic mean of the class-wise AUCs in multi-label learning and is commonly used in practice. However, its theoretical understanding is far lacking. Toward solving it, we characterize the generalization properties of various learning algorithms based on the corresponding surrogate losses w.r.t. Macro-AUC. We theoretically identify a critical factor of the dataset affecting the generalization bounds: the label-wise class imbalance. Our results on the imbalance-aware error bounds show that the widely-used univariate loss-based algorithm is more sensitive to the label-wise class imbalance than the proposed pairwise and reweighted loss-based ones, which probably implies its worse performance. Moreover, empirical results on various datasets corroborate our theory findings. To establish it, technically, we propose a new (and more general) McDiarmid-type concentration inequality, which may be of independent interest.

While it has long been empirically observed that adversarial robustness may be at odds with standard accuracy and may have further disparate impacts on different classes, it remains an open question to what extent such observations hold and how the class imbalance plays a role within. In this paper, we attempt to understand this question of accuracy disparity by taking a closer look at linear classifiers under a Gaussian mixture model. We decompose the impact of adversarial robustness into two parts: an inherent effect that will degrade the standard accuracy on all classes due to the robustness constraint, and the other caused by the class imbalance ratio, which will increase the accuracy disparity compared to standard training. Furthermore, we also show that such effects extend beyond the Gaussian mixture model, by generalizing our data model to the general family of stable distributions. More specifically, we demonstrate that while the constraint of adversarial robustness consistently degrades the standard accuracy in the balanced class setting, the class imbalance ratio plays a fundamentally different role in accuracy disparity compared to the Gaussian case, due to the heavy tail of the stable distribution. We additionally perform experiments on both synthetic and real-world datasets to corroborate our theoretical findings. Our empirical results also suggest that the implications may extend to nonlinear models over real-world datasets. Our code is publicly available on GitHub at https://github.com/Accuracy-Disparity/AT-on-AD.

The conventional wisdom behind learning deep classification models is to focus on bad-classified examples and ignore well-classified examples that are far from the decision boundary. For instance, when training with cross-entropy loss, examples with higher likelihoods (i.e., well-classified examples) contribute smaller gradients in back-propagation. However, we theoretically show that this common practice hinders representation learning, energy optimization, and margin growth. To counteract this deficiency, we propose to reward well-classified examples with additive bonuses to revive their contribution to the learning process. This counterexample theoretically addresses these three issues. We empirically support this claim by directly verifying the theoretical results or significant performance improvement with our counterexample on diverse tasks, including image classification, graph classification, and machine translation. Furthermore, this paper shows that we can deal with complex scenarios, such as imbalanced classification, OOD detection, and applications under adversarial attacks because our idea can solve these three issues. Code is available at: https://github.com/lancopku/well-classified-examples-are-underestimated.

Empirical risk minimization (ERM) with a computationally feasible surrogate loss is a widely accepted approach for classification. Notably, the convexity and calibration (CC) properties of a loss function ensure consistency of ERM in maximizing accuracy, thereby offering a wide range of options for surrogate losses. In this article, we propose a novel ensemble method, namely EnsLoss, which extends the ensemble learning concept to combine loss functions within the ERM framework. A key feature of our method is the consideration on preserving the "legitimacy" of the combined losses, i.e., ensuring the CC properties. Specifically, we first transform the CC conditions of losses into loss-derivatives, thereby bypassing the need for explicit loss functions and directly generating calibrated loss-derivatives. Therefore, inspired by Dropout, EnsLoss enables loss ensembles through one training process with doubly stochastic gradient descent (i.e., random batch samples and random calibrated loss-derivatives). We theoretically establish the statistical consistency of our approach and provide insights into its benefits. The numerical effectiveness of EnsLoss compared to fixed loss methods is demonstrated through experiments on a broad range of 14 OpenML tabular datasets and 46 image datasets with various deep learning architectures. Python repository and source code are available on GitHub at https://github.com/statmlben/ensloss.

The simulation of the metabolism in mammalian cells becomes a severe problem if spatial distributions must be taken into account. Especially the cytoplasm has a very complex geometric structure which cannot be handled by standard discretization techniques. In the present paper we propose a homogenization technique for computing effective diffusion constants. This is accomplished by using a two-step strategy. The first step consists of an analytic homogenization from the smallest to an intermediate scale. The homogenization error is estimated by comparing the analytic diffusion constant with a numerical estimate obtained by using real cell geometries. The second step consists of a random homogenization. Since no analytical solution is known to this homogenization problem, a numerical approximation algorithm is proposed. Although rather expensive this algorithm provides a reasonable estimate of the homogenized diffusion constant.

In the machine learning ecosystem, hardware selection is often regarded as a mere utility, overshadowed by the spotlight on algorithms and data. This oversight is particularly problematic in contexts like ML-as-a-service platforms, where users often lack control over the hardware used for model deployment. How does the choice of hardware impact generalization properties? This paper investigates the influence of hardware on the delicate balance between model performance and fairness. We demonstrate that hardware choices can exacerbate existing disparities, attributing these discrepancies to variations in gradient flows and loss surfaces across different demographic groups. Through both theoretical and empirical analysis, the paper not only identifies the underlying factors but also proposes an effective strategy for mitigating hardware-induced performance imbalances.

The success of deep learning is due in large part to our ability to solve certain massive non-convex optimization problems with relative ease. Though non-convex optimization is NP-hard, simple algorithms -- often variants of stochastic gradient descent -- exhibit surprising effectiveness in fitting large neural networks in practice. We argue that neural network loss landscapes often contain (nearly) a single basin after accounting for all possible permutation symmetries of hidden units a la Entezari et al. 2021. We introduce three algorithms to permute the units of one model to bring them into alignment with a reference model in order to merge the two models in weight space. This transformation produces a functionally equivalent set of weights that lie in an approximately convex basin near the reference model. Experimentally, we demonstrate the single basin phenomenon across a variety of model architectures and datasets, including the first (to our knowledge) demonstration of zero-barrier linear mode connectivity between independently trained ResNet models on CIFAR-10. Additionally, we identify intriguing phenomena relating model width and training time to mode connectivity. Finally, we discuss shortcomings of the linear mode connectivity hypothesis, including a counterexample to the single basin theory.

Data pruning aims to obtain lossless performances with less overall cost. A common approach is to filter out samples that make less contribution to the training. This could lead to gradient expectation bias compared to the original data. To solve this problem, we propose InfoBatch, a novel framework aiming to achieve lossless training acceleration by unbiased dynamic data pruning. Specifically, InfoBatch randomly prunes a portion of less informative samples based on the loss distribution and rescales the gradients of the remaining samples to approximate the original gradient. As a plug-and-play and architecture-agnostic framework, InfoBatch consistently obtains lossless training results on classification, semantic segmentation, vision pertaining, and instruction fine-tuning tasks. On CIFAR10/100, ImageNet-1K, and ADE20K, InfoBatch losslessly saves 40\% overall cost. For pertaining MAE and diffusion model, InfoBatch can respectively save 24.8\% and 27\% cost. For LLaMA instruction fine-tuning, InfoBatch is also able to save 20\% cost and is compatible with coreset selection methods. The code is publicly available at https://github.com/henryqin1997/InfoBatch{github.com/NUS-HPC-AI-Lab/InfoBatch}.

A large-scale deep model pre-trained on massive labeled or unlabeled data transfers well to downstream tasks. Linear evaluation freezes parameters in the pre-trained model and trains a linear classifier separately, which is efficient and attractive for transfer. However, little work has investigated the classifier in linear evaluation except for the default logistic regression. Inspired by the statistical efficiency of naive Bayes, the paper revisits the classical topic on discriminative vs. generative classifiers. Theoretically, the paper considers the surrogate loss instead of the zero-one loss in analyses and generalizes the classical results from binary cases to multiclass ones. We show that, under mild assumptions, multiclass naive Bayes requires O(log n) samples to approach its asymptotic error while the corresponding multiclass logistic regression requires O(n) samples, where n is the feature dimension. To establish it, we present a multiclass H-consistency bound framework and an explicit bound for logistic loss, which are of independent interests. Simulation results on a mixture of Gaussian validate our theoretical findings. Experiments on various pre-trained deep vision models show that naive Bayes consistently converges faster as the number of data increases. Besides, naive Bayes shows promise in few-shot cases and we observe the "two regimes" phenomenon in pre-trained supervised models. Our code is available at https://github.com/ML-GSAI/Revisiting-Dis-vs-Gen-Classifiers.

Most of the current self-supervised representation learning (SSL) methods are based on the contrastive loss and the instance-discrimination task, where augmented versions of the same image instance ("positives") are contrasted with instances extracted from other images ("negatives"). For the learning to be effective, many negatives should be compared with a positive pair, which is computationally demanding. In this paper, we propose a different direction and a new loss function for SSL, which is based on the whitening of the latent-space features. The whitening operation has a "scattering" effect on the batch samples, avoiding degenerate solutions where all the sample representations collapse to a single point. Our solution does not require asymmetric networks and it is conceptually simple. Moreover, since negatives are not needed, we can extract multiple positive pairs from the same image instance. The source code of the method and of all the experiments is available at: https://github.com/htdt/self-supervised.

Solving partial differential equations (PDEs) is a central task in scientific computing. Recently, neural network approximation of PDEs has received increasing attention due to its flexible meshless discretization and its potential for high-dimensional problems. One fundamental numerical difficulty is that random samples in the training set introduce statistical errors into the discretization of loss functional which may become the dominant error in the final approximation, and therefore overshadow the modeling capability of the neural network. In this work, we propose a new minmax formulation to optimize simultaneously the approximate solution, given by a neural network model, and the random samples in the training set, provided by a deep generative model. The key idea is to use a deep generative model to adjust random samples in the training set such that the residual induced by the approximate PDE solution can maintain a smooth profile when it is being minimized. Such an idea is achieved by implicitly embedding the Wasserstein distance between the residual-induced distribution and the uniform distribution into the loss, which is then minimized together with the residual. A nearly uniform residual profile means that its variance is small for any normalized weight function such that the Monte Carlo approximation error of the loss functional is reduced significantly for a certain sample size. The adversarial adaptive sampling (AAS) approach proposed in this work is the first attempt to formulate two essential components, minimizing the residual and seeking the optimal training set, into one minmax objective functional for the neural network approximation of PDEs.

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

This paper provides a pair similarity optimization viewpoint on deep feature learning, aiming to maximize the within-class similarity s_p and minimize the between-class similarity s_n. We find a majority of loss functions, including the triplet loss and the softmax plus cross-entropy loss, embed s_n and s_p into similarity pairs and seek to reduce (s_n-s_p). Such an optimization manner is inflexible, because the penalty strength on every single similarity score is restricted to be equal. Our intuition is that if a similarity score deviates far from the optimum, it should be emphasized. To this end, we simply re-weight each similarity to highlight the less-optimized similarity scores. It results in a Circle loss, which is named due to its circular decision boundary. The Circle loss has a unified formula for two elemental deep feature learning approaches, i.e. learning with class-level labels and pair-wise labels. Analytically, we show that the Circle loss offers a more flexible optimization approach towards a more definite convergence target, compared with the loss functions optimizing (s_n-s_p). Experimentally, we demonstrate the superiority of the Circle loss on a variety of deep feature learning tasks. On face recognition, person re-identification, as well as several fine-grained image retrieval datasets, the achieved performance is on par with the state of the art.

In this paper, we introduce a novel predict-and-optimize method for profit-driven churn prevention. We frame the task of targeting customers for a retention campaign as a regret minimization problem. The main objective is to leverage individual customer lifetime values (CLVs) to ensure that only the most valuable customers are targeted. In contrast, many profit-driven strategies focus on churn probabilities while considering average CLVs. This often results in significant information loss due to data aggregation. Our proposed model aligns with the guidelines of Predict-and-Optimize (PnO) frameworks and can be efficiently solved using stochastic gradient descent methods. Results from 12 churn prediction datasets underscore the effectiveness of our approach, which achieves the best average performance compared to other well-established strategies in terms of average profit.

Current vision systems are trained on huge datasets, and these datasets come with costs: curation is expensive, they inherit human biases, and there are concerns over privacy and usage rights. To counter these costs, interest has surged in learning from cheaper data sources, such as unlabeled images. In this paper we go a step further and ask if we can do away with real image datasets entirely, instead learning from noise processes. We investigate a suite of image generation models that produce images from simple random processes. These are then used as training data for a visual representation learner with a contrastive loss. We study two types of noise processes, statistical image models and deep generative models under different random initializations. Our findings show that it is important for the noise to capture certain structural properties of real data but that good performance can be achieved even with processes that are far from realistic. We also find that diversity is a key property to learn good representations. Datasets, models, and code are available at https://mbaradad.github.io/learning_with_noise.

The proliferation of pretrained models, as a result of advancements in pretraining techniques, has led to the emergence of a vast zoo of publicly available models. Effectively utilizing these resources to obtain models with robust out-of-distribution generalization capabilities for downstream tasks has become a crucial area of research. Previous research has primarily focused on identifying the most powerful models within the model zoo, neglecting to fully leverage the diverse inductive biases contained within. This paper argues that the knowledge contained in weaker models is valuable and presents a method for leveraging the diversity within the model zoo to improve out-of-distribution generalization capabilities. Specifically, we investigate the behaviors of various pretrained models across different domains of downstream tasks by characterizing the variations in their encoded representations in terms of two dimensions: diversity shift and correlation shift. This characterization enables us to propose a new algorithm for integrating diverse pretrained models, not limited to the strongest models, in order to achieve enhanced out-of-distribution generalization performance. Our proposed method demonstrates state-of-the-art empirical results on a variety of datasets, thus validating the benefits of utilizing diverse knowledge.

Despite excellent average-case performance of many image classifiers, their performance can substantially deteriorate on semantically coherent subgroups of the data that were under-represented in the training data. These systematic errors can impact both fairness for demographic minority groups as well as robustness and safety under domain shift. A major challenge is to identify such subgroups with subpar performance when the subgroups are not annotated and their occurrence is very rare. We leverage recent advances in text-to-image models and search in the space of textual descriptions of subgroups ("prompts") for subgroups where the target model has low performance on the prompt-conditioned synthesized data. To tackle the exponentially growing number of subgroups, we employ combinatorial testing. We denote this procedure as PromptAttack as it can be interpreted as an adversarial attack in a prompt space. We study subgroup coverage and identifiability with PromptAttack in a controlled setting and find that it identifies systematic errors with high accuracy. Thereupon, we apply PromptAttack to ImageNet classifiers and identify novel systematic errors on rare subgroups.

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/.

Machine learning models frequently experience performance drops under distribution shifts. The underlying cause of such shifts may be multiple simultaneous factors such as changes in data quality, differences in specific covariate distributions, or changes in the relationship between label and features. When a model does fail during deployment, attributing performance change to these factors is critical for the model developer to identify the root cause and take mitigating actions. In this work, we introduce the problem of attributing performance differences between environments to distribution shifts in the underlying data generating mechanisms. We formulate the problem as a cooperative game where the players are distributions. We define the value of a set of distributions to be the change in model performance when only this set of distributions has changed between environments, and derive an importance weighting method for computing the value of an arbitrary set of distributions. The contribution of each distribution to the total performance change is then quantified as its Shapley value. We demonstrate the correctness and utility of our method on synthetic, semi-synthetic, and real-world case studies, showing its effectiveness in attributing performance changes to a wide range of distribution shifts.

Recent work have demonstrated that robustness (to "corruption") can be at odds with generalization. Adversarial training, for instance, aims to reduce the problematic susceptibility of modern neural networks to small data perturbations. Surprisingly, overfitting is a major concern in adversarial training despite being mostly absent in standard training. We provide here theoretical evidence for this peculiar "robust overfitting" phenomenon. Subsequently, we advance a novel distributionally robust loss function bridging robustness and generalization. We demonstrate both theoretically as well as empirically the loss to enjoy a certified level of robustness against two common types of corruption--data evasion and poisoning attacks--while ensuring guaranteed generalization. We show through careful numerical experiments that our resulting holistic robust (HR) training procedure yields SOTA performance. Finally, we indicate that HR training can be interpreted as a direct extension of adversarial training and comes with a negligible additional computational burden. A ready-to-use python library implementing our algorithm is available at https://github.com/RyanLucas3/HR_Neural_Networks.

Recent research finds CNN models for image classification demonstrate overlapped adversarial vulnerabilities: adversarial attacks can mislead CNN models with small perturbations, which can effectively transfer between different models trained on the same dataset. Adversarial training, as a general robustness improvement technique, eliminates the vulnerability in a single model by forcing it to learn robust features. The process is hard, often requires models with large capacity, and suffers from significant loss on clean data accuracy. Alternatively, ensemble methods are proposed to induce sub-models with diverse outputs against a transfer adversarial example, making the ensemble robust against transfer attacks even if each sub-model is individually non-robust. Only small clean accuracy drop is observed in the process. However, previous ensemble training methods are not efficacious in inducing such diversity and thus ineffective on reaching robust ensemble. We propose DVERGE, which isolates the adversarial vulnerability in each sub-model by distilling non-robust features, and diversifies the adversarial vulnerability to induce diverse outputs against a transfer attack. The novel diversity metric and training procedure enables DVERGE to achieve higher robustness against transfer attacks comparing to previous ensemble methods, and enables the improved robustness when more sub-models are added to the ensemble. The code of this work is available at https://github.com/zjysteven/DVERGE

Contrastive loss is a powerful approach for representation learning, where larger batch sizes enhance performance by providing more negative samples to better distinguish between similar and dissimilar data. However, scaling batch sizes is constrained by the quadratic growth in GPU memory consumption, primarily due to the full instantiation of the similarity matrix. To address this, we propose a tile-based computation strategy that partitions the contrastive loss calculation into arbitrary small blocks, avoiding full materialization of the similarity matrix. Furthermore, we introduce a multi-level tiling strategy to leverage the hierarchical structure of distributed systems, employing ring-based communication at the GPU level to optimize synchronization and fused kernels at the CUDA core level to reduce I/O overhead. Experimental results show that the proposed method scales batch sizes to unprecedented levels. For instance, it enables contrastive training of a CLIP-ViT-L/14 model with a batch size of 4M or 12M using 8 or 32 A800 80GB without sacrificing any accuracy. Compared to SOTA memory-efficient solutions, it achieves a two-order-of-magnitude reduction in memory while maintaining comparable speed. The code will be made publicly available.

Robust loss functions are essential for training accurate deep neural networks (DNNs) in the presence of noisy (incorrect) labels. It has been shown that the commonly used Cross Entropy (CE) loss is not robust to noisy labels. Whilst new loss functions have been designed, they are only partially robust. In this paper, we theoretically show by applying a simple normalization that: any loss can be made robust to noisy labels. However, in practice, simply being robust is not sufficient for a loss function to train accurate DNNs. By investigating several robust loss functions, we find that they suffer from a problem of underfitting. To address this, we propose a framework to build robust loss functions called Active Passive Loss (APL). APL combines two robust loss functions that mutually boost each other. Experiments on benchmark datasets demonstrate that the family of new loss functions created by our APL framework can consistently outperform state-of-the-art methods by large margins, especially under large noise rates such as 60% or 80% incorrect labels.

Deep neural networks have delivered remarkable performance and have been widely used in various visual tasks. However, their huge size causes significant inconvenience for transmission and storage. Many previous studies have explored model size compression. However, these studies often approach various lossy and lossless compression methods in isolation, leading to challenges in achieving high compression ratios efficiently. This work proposes a post-training model size compression method that combines lossy and lossless compression in a unified way. We first propose a unified parametric weight transformation, which ensures different lossy compression methods can be performed jointly in a post-training manner. Then, a dedicated differentiable counter is introduced to guide the optimization of lossy compression to arrive at a more suitable point for later lossless compression. Additionally, our method can easily control a desired global compression ratio and allocate adaptive ratios for different layers. Finally, our method can achieve a stable 10times compression ratio without sacrificing accuracy and a 20times compression ratio with minor accuracy loss in a short time. Our code is available at https://github.com/ModelTC/L2_Compression .

We present SURE-Score: an approach for learning score-based generative models using training samples corrupted by additive Gaussian noise. When a large training set of clean samples is available, solving inverse problems via score-based (diffusion) generative models trained on the underlying fully-sampled data distribution has recently been shown to outperform end-to-end supervised deep learning. In practice, such a large collection of training data may be prohibitively expensive to acquire in the first place. In this work, we present an approach for approximately learning a score-based generative model of the clean distribution, from noisy training data. We formulate and justify a novel loss function that leverages Stein's unbiased risk estimate to jointly denoise the data and learn the score function via denoising score matching, while using only the noisy samples. We demonstrate the generality of SURE-Score by learning priors and applying posterior sampling to ill-posed inverse problems in two practical applications from different domains: compressive wireless multiple-input multiple-output channel estimation and accelerated 2D multi-coil magnetic resonance imaging reconstruction, where we demonstrate competitive reconstruction performance when learning at signal-to-noise ratio values of 0 and 10 dB, respectively.

Latent diffusion models (LDMs) power state-of-the-art high-resolution generative image models. LDMs learn the data distribution in the latent space of an autoencoder (AE) and produce images by mapping the generated latents into RGB image space using the AE decoder. While this approach allows for efficient model training and sampling, it induces a disconnect between the training of the diffusion model and the decoder, resulting in a loss of detail in the generated images. To remediate this disconnect, we propose to leverage the internal features of the decoder to define a latent perceptual loss (LPL). This loss encourages the models to create sharper and more realistic images. Our loss can be seamlessly integrated with common autoencoders used in latent diffusion models, and can be applied to different generative modeling paradigms such as DDPM with epsilon and velocity prediction, as well as flow matching. Extensive experiments with models trained on three datasets at 256 and 512 resolution show improved quantitative -- with boosts between 6% and 20% in FID -- and qualitative results when using our perceptual loss.

The disparity in accuracy between classes in standard training is amplified during adversarial training, a phenomenon termed the robust fairness problem. Existing methodologies aimed to enhance robust fairness by sacrificing the model's performance on easier classes in order to improve its performance on harder ones. However, we observe that under adversarial attacks, the majority of the model's predictions for samples from the worst class are biased towards classes similar to the worst class, rather than towards the easy classes. Through theoretical and empirical analysis, we demonstrate that robust fairness deteriorates as the distance between classes decreases. Motivated by these insights, we introduce the Distance-Aware Fair Adversarial training (DAFA) methodology, which addresses robust fairness by taking into account the similarities between classes. Specifically, our method assigns distinct loss weights and adversarial margins to each class and adjusts them to encourage a trade-off in robustness among similar classes. Experimental results across various datasets demonstrate that our method not only maintains average robust accuracy but also significantly improves the worst robust accuracy, indicating a marked improvement in robust fairness compared to existing methods.

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.

Federated Learning (FL) models often experience client drift caused by heterogeneous data, where the distribution of data differs across clients. To address this issue, advanced research primarily focuses on manipulating the existing gradients to achieve more consistent client models. In this paper, we present an alternative perspective on client drift and aim to mitigate it by generating improved local models. First, we analyze the generalization contribution of local training and conclude that this generalization contribution is bounded by the conditional Wasserstein distance between the data distribution of different clients. Then, we propose FedImpro, to construct similar conditional distributions for local training. Specifically, FedImpro decouples the model into high-level and low-level components, and trains the high-level portion on reconstructed feature distributions. This approach enhances the generalization contribution and reduces the dissimilarity of gradients in FL. Experimental results show that FedImpro can help FL defend against data heterogeneity and enhance the generalization performance of the model.

Metric learning involves learning a discriminative representation such that embeddings of similar classes are encouraged to be close, while embeddings of dissimilar classes are pushed far apart. State-of-the-art methods focus mostly on sophisticated loss functions or mining strategies. On the one hand, metric learning losses consider two or more examples at a time. On the other hand, modern data augmentation methods for classification consider two or more examples at a time. The combination of the two ideas is under-studied. In this work, we aim to bridge this gap and improve representations using mixup, which is a powerful data augmentation approach interpolating two or more examples and corresponding target labels at a time. This task is challenging because unlike classification, the loss functions used in metric learning are not additive over examples, so the idea of interpolating target labels is not straightforward. To the best of our knowledge, we are the first to investigate mixing both examples and target labels for deep metric learning. We develop a generalized formulation that encompasses existing metric learning loss functions and modify it to accommodate for mixup, introducing Metric Mix, or Metrix. We also introduce a new metric - utilization, to demonstrate that by mixing examples during training, we are exploring areas of the embedding space beyond the training classes, thereby improving representations. To validate the effect of improved representations, we show that mixing inputs, intermediate representations or embeddings along with target labels significantly outperforms state-of-the-art metric learning methods on four benchmark deep metric learning datasets.

Contrastive learning has become an important tool in learning representations from unlabeled data mainly relying on the idea of minimizing distance between positive data pairs, e.g., views from the same images, and maximizing distance between negative data pairs, e.g., views from different images. This paper proposes a new variation of the contrastive learning objective, Group Ordering Constraints (GroCo), that leverages the idea of sorting the distances of positive and negative pairs and computing the respective loss based on how many positive pairs have a larger distance than the negative pairs, and thus are not ordered correctly. To this end, the GroCo loss is based on differentiable sorting networks, which enable training with sorting supervision by matching a differentiable permutation matrix, which is produced by sorting a given set of scores, to a respective ground truth permutation matrix. Applying this idea to groupwise pre-ordered inputs of multiple positive and negative pairs allows introducing the GroCo loss with implicit emphasis on strong positives and negatives, leading to better optimization of the local neighborhood. We evaluate the proposed formulation on various self-supervised learning benchmarks and show that it not only leads to improved results compared to vanilla contrastive learning but also shows competitive performance to comparable methods in linear probing and outperforms current methods in k-NN performance.

Federated learning (FL) has been a promising approach in the field of medical imaging in recent years. A critical problem in FL, specifically in medical scenarios is to have a more accurate shared model which is robust to noisy and out-of distribution clients. In this work, we tackle the problem of statistical heterogeneity in data for FL which is highly plausible in medical data where for example the data comes from different sites with different scanner settings. We propose IDA (Inverse Distance Aggregation), a novel adaptive weighting approach for clients based on meta-information which handles unbalanced and non-iid data. We extensively analyze and evaluate our method against the well-known FL approach, Federated Averaging as a baseline.

Diffusion models learn to restore noisy data, which is corrupted with different levels of noise, by optimizing the weighted sum of the corresponding loss terms, i.e., denoising score matching loss. In this paper, we show that restoring data corrupted with certain noise levels offers a proper pretext task for the model to learn rich visual concepts. We propose to prioritize such noise levels over other levels during training, by redesigning the weighting scheme of the objective function. We show that our simple redesign of the weighting scheme significantly improves the performance of diffusion models regardless of the datasets, architectures, and sampling strategies.

In domains ranging from computer vision to natural language processing, machine learning models have been shown to exhibit stark disparities, often performing worse for members of traditionally underserved groups. One factor contributing to these performance gaps is a lack of representation in the data the models are trained on. It is often unclear, however, how to operationalize representativeness in specific applications. Here we formalize the problem of creating equitable training datasets, and propose a statistical framework for addressing this problem. We consider a setting where a model builder must decide how to allocate a fixed data collection budget to gather training data from different subgroups. We then frame dataset creation as a constrained optimization problem, in which one maximizes a function of group-specific performance metrics based on (estimated) group-specific learning rates and costs per sample. This flexible approach incorporates preferences of model-builders and other stakeholders, as well as the statistical properties of the learning task. When data collection decisions are made sequentially, we show that under certain conditions this optimization problem can be efficiently solved even without prior knowledge of the learning rates. To illustrate our approach, we conduct a simulation study of polygenic risk scores on synthetic genomic data -- an application domain that often suffers from non-representative data collection. We find that our adaptive sampling strategy outperforms several common data collection heuristics, including equal and proportional sampling, demonstrating the value of strategic dataset design for building equitable models.

Despite being robust to small amounts of label noise, convolutional neural networks trained with stochastic gradient methods have been shown to easily fit random labels. When there are a mixture of correct and mislabelled targets, networks tend to fit the former before the latter. This suggests using a suitable two-component mixture model as an unsupervised generative model of sample loss values during training to allow online estimation of the probability that a sample is mislabelled. Specifically, we propose a beta mixture to estimate this probability and correct the loss by relying on the network prediction (the so-called bootstrapping loss). We further adapt mixup augmentation to drive our approach a step further. Experiments on CIFAR-10/100 and TinyImageNet demonstrate a robustness to label noise that substantially outperforms recent state-of-the-art. Source code is available at https://git.io/fjsvE

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

Existing person re-identification models often have low generalizability, which is mostly due to limited availability of large-scale labeled data in training. However, labeling large-scale training data is very expensive and time-consuming, while large-scale synthetic dataset shows promising value in learning generalizable person re-identification models. Therefore, in this paper a novel and practical person re-identification task is proposed,i.e. how to use labeled synthetic dataset and unlabeled real-world dataset to train a universal model. In this way, human annotations are no longer required, and it is scalable to large and diverse real-world datasets. To address the task, we introduce a framework with high generalizability, namely DomainMix. Specifically, the proposed method firstly clusters the unlabeled real-world images and selects the reliable clusters. During training, to address the large domain gap between two domains, a domain-invariant feature learning method is proposed, which introduces a new loss,i.e. domain balance loss, to conduct an adversarial learning between domain-invariant feature learning and domain discrimination, and meanwhile learns a discriminative feature for person re-identification. This way, the domain gap between synthetic and real-world data is much reduced, and the learned feature is generalizable thanks to the large-scale and diverse training data. Experimental results show that the proposed annotation-free method is more or less comparable to the counterpart trained with full human annotations, which is quite promising. In addition, it achieves the current state of the art on several person re-identification datasets under direct cross-dataset evaluation.

Diffusion models have achieved state-of-the-art synthesis quality on both visual and audio tasks, and recent works further adapt them to textual data by diffusing on the embedding space. In this paper, we conduct systematic studies and analyze the challenges between the continuous data space and the embedding space which have not been carefully explored. Firstly, the data distribution is learnable for embeddings, which may lead to the collapse of the loss function. Secondly, as the norm of embeddings varies between popular and rare words, adding the same noise scale will lead to sub-optimal results. In addition, we find the normal level of noise causes insufficient training of the model. To address the above challenges, we propose Difformer, an embedding diffusion model based on Transformer, which consists of three essential modules including an additional anchor loss function, a layer normalization module for embeddings, and a noise factor to the Gaussian noise. Experiments on two seminal text generation tasks including machine translation and text summarization show the superiority of Difformer over compared embedding diffusion baselines.

Recognition problems in long-tailed data, in which the sample size per class is heavily skewed, have gained importance because the distribution of the sample size per class in a dataset is generally exponential unless the sample size is intentionally adjusted. Various methods have been devised to address these problems. Recently, weight balancing, which combines well-known classical regularization techniques with two-stage training, has been proposed. Despite its simplicity, it is known for its high performance compared with existing methods devised in various ways. However, there is a lack of understanding as to why this method is effective for long-tailed data. In this study, we analyze weight balancing by focusing on neural collapse and the cone effect at each training stage and found that it can be decomposed into an increase in Fisher's discriminant ratio of the feature extractor caused by weight decay and cross entropy loss and implicit logit adjustment caused by weight decay and class-balanced loss. Our analysis enables the training method to be further simplified by reducing the number of training stages to one while increasing accuracy.

Masked visual modeling has attracted much attention due to its promising potential in learning generalizable representations. Typical approaches urge models to predict specific contents of masked tokens, which can be intuitively considered as teaching a student (the model) to solve given problems (predicting masked contents). Under such settings, the performance is highly correlated with mask strategies (the difficulty of provided problems). We argue that it is equally important for the model to stand in the shoes of a teacher to produce challenging problems by itself. Intuitively, patches with high values of reconstruction loss can be regarded as hard samples, and masking those hard patches naturally becomes a demanding reconstruction task. To empower the model as a teacher, we propose Hard Patches Mining (HPM), predicting patch-wise losses and subsequently determining where to mask. Technically, we introduce an auxiliary loss predictor, which is trained with a relative objective to prevent overfitting to exact loss values. Also, to gradually guide the training procedure, we propose an easy-to-hard mask strategy. Empirically, HPM brings significant improvements under both image and video benchmarks. Interestingly, solely incorporating the extra loss prediction objective leads to better representations, verifying the efficacy of determining where is hard to reconstruct. The code is available at https://github.com/Haochen-Wang409/HPM.

Instance segmentation is data-hungry, and as model capacity increases, data scale becomes crucial for improving the accuracy. Most instance segmentation datasets today require costly manual annotation, limiting their data scale. Models trained on such data are prone to overfitting on the training set, especially for those rare categories. While recent works have delved into exploiting generative models to create synthetic datasets for data augmentation, these approaches do not efficiently harness the full potential of generative models. To address these issues, we introduce a more efficient strategy to construct generative datasets for data augmentation, termed DiverGen. Firstly, we provide an explanation of the role of generative data from the perspective of distribution discrepancy. We investigate the impact of different data on the distribution learned by the model. We argue that generative data can expand the data distribution that the model can learn, thus mitigating overfitting. Additionally, we find that the diversity of generative data is crucial for improving model performance and enhance it through various strategies, including category diversity, prompt diversity, and generative model diversity. With these strategies, we can scale the data to millions while maintaining the trend of model performance improvement. On the LVIS dataset, DiverGen significantly outperforms the strong model X-Paste, achieving +1.1 box AP and +1.1 mask AP across all categories, and +1.9 box AP and +2.5 mask AP for rare categories.

The highest accuracy object detectors to date are based on a two-stage approach popularized by R-CNN, where a classifier is applied to a sparse set of candidate object locations. In contrast, one-stage detectors that are applied over a regular, dense sampling of possible object locations have the potential to be faster and simpler, but have trailed the accuracy of two-stage detectors thus far. In this paper, we investigate why this is the case. We discover that the extreme foreground-background class imbalance encountered during training of dense detectors is the central cause. We propose to address this class imbalance by reshaping the standard cross entropy loss such that it down-weights the loss assigned to well-classified examples. Our novel Focal Loss focuses training on a sparse set of hard examples and prevents the vast number of easy negatives from overwhelming the detector during training. To evaluate the effectiveness of our loss, we design and train a simple dense detector we call RetinaNet. Our results show that when trained with the focal loss, RetinaNet is able to match the speed of previous one-stage detectors while surpassing the accuracy of all existing state-of-the-art two-stage detectors. Code is at: https://github.com/facebookresearch/Detectron.

Image segmentation is a largely researched field where neural networks find vast applications in many facets of technology. Some of the most popular approaches to train segmentation networks employ loss functions optimizing pixel-overlap, an objective that is insufficient for many segmentation tasks. In recent years, their limitations fueled a growing interest in topology-aware methods, which aim to recover the correct topology of the segmented structures. However, so far, none of the existing approaches achieve a spatially correct matching between the topological features of ground truth and prediction. In this work, we propose the first topologically and feature-wise accurate metric and loss function for supervised image segmentation, which we term Betti matching. We show how induced matchings guarantee the spatially correct matching between barcodes in a segmentation setting. Furthermore, we propose an efficient algorithm to compute the Betti matching of images. We show that the Betti matching error is an interpretable metric to evaluate the topological correctness of segmentations, which is more sensitive than the well-established Betti number error. Moreover, the differentiability of the Betti matching loss enables its use as a loss function. It improves the topological performance of segmentation networks across six diverse datasets while preserving the volumetric performance. Our code is available in https://github.com/nstucki/Betti-matching.

Adversarial training has been empirically proven to be one of the most effective and reliable defense methods against adversarial attacks. However, almost all existing studies about adversarial training are focused on balanced datasets, where each class has an equal amount of training examples. Research on adversarial training with imbalanced training datasets is rather limited. As the initial effort to investigate this problem, we reveal the facts that adversarially trained models present two distinguished behaviors from naturally trained models in imbalanced datasets: (1) Compared to natural training, adversarially trained models can suffer much worse performance on under-represented classes, when the training dataset is extremely imbalanced. (2) Traditional reweighting strategies may lose efficacy to deal with the imbalance issue for adversarial training. For example, upweighting the under-represented classes will drastically hurt the model's performance on well-represented classes, and as a result, finding an optimal reweighting value can be tremendously challenging. In this paper, to further understand our observations, we theoretically show that the poor data separability is one key reason causing this strong tension between under-represented and well-represented classes. Motivated by this finding, we propose Separable Reweighted Adversarial Training (SRAT) to facilitate adversarial training under imbalanced scenarios, by learning more separable features for different classes. Extensive experiments on various datasets verify the effectiveness of the proposed framework.

Contrastive learning applied to self-supervised representation learning has seen a resurgence in recent years, leading to state of the art performance in the unsupervised training of deep image models. Modern batch contrastive approaches subsume or significantly outperform traditional contrastive losses such as triplet, max-margin and the N-pairs loss. In this work, we extend the self-supervised batch contrastive approach to the fully-supervised setting, allowing us to effectively leverage label information. Clusters of points belonging to the same class are pulled together in embedding space, while simultaneously pushing apart clusters of samples from different classes. We analyze two possible versions of the supervised contrastive (SupCon) loss, identifying the best-performing formulation of the loss. On ResNet-200, we achieve top-1 accuracy of 81.4% on the ImageNet dataset, which is 0.8% above the best number reported for this architecture. We show consistent outperformance over cross-entropy on other datasets and two ResNet variants. The loss shows benefits for robustness to natural corruptions and is more stable to hyperparameter settings such as optimizers and data augmentations. Our loss function is simple to implement, and reference TensorFlow code is released at https://t.ly/supcon.

We identify empirical scaling laws for the cross-entropy loss in four domains: generative image modeling, video modeling, multimodal imageleftrightarrowtext models, and mathematical problem solving. In all cases autoregressive Transformers smoothly improve in performance as model size and compute budgets increase, following a power-law plus constant scaling law. The optimal model size also depends on the compute budget through a power-law, with exponents that are nearly universal across all data domains. The cross-entropy loss has an information theoretic interpretation as S(True) + D_{KL}(True||Model), and the empirical scaling laws suggest a prediction for both the true data distribution's entropy and the KL divergence between the true and model distributions. With this interpretation, billion-parameter Transformers are nearly perfect models of the YFCC100M image distribution downsampled to an 8times 8 resolution, and we can forecast the model size needed to achieve any given reducible loss (ie D_{KL}) in nats/image for other resolutions. We find a number of additional scaling laws in specific domains: (a) we identify a scaling relation for the mutual information between captions and images in multimodal models, and show how to answer the question "Is a picture worth a thousand words?"; (b) in the case of mathematical problem solving, we identify scaling laws for model performance when extrapolating beyond the training distribution; (c) we finetune generative image models for ImageNet classification and find smooth scaling of the classification loss and error rate, even as the generative loss levels off. Taken together, these results strengthen the case that scaling laws have important implications for neural network performance, including on downstream tasks.

Representation learning methods have revolutionized machine learning on networks by converting discrete network structures into continuous domains. However, dynamic networks that evolve over time pose new challenges. To address this, dynamic representation learning methods have gained attention, offering benefits like reduced learning time and improved accuracy by utilizing temporal information. T-batching is a valuable technique for training dynamic network models that reduces training time while preserving vital conditions for accurate modeling. However, we have identified a limitation in the training loss function used with t-batching. Through mathematical analysis, we propose two alternative loss functions that overcome these issues, resulting in enhanced training performance. We extensively evaluate the proposed loss functions on synthetic and real-world dynamic networks. The results consistently demonstrate superior performance compared to the original loss function. Notably, in a real-world network characterized by diverse user interaction histories, the proposed loss functions achieved more than 26.9% enhancement in Mean Reciprocal Rank (MRR) and more than 11.8% improvement in Recall@10. These findings underscore the efficacy of the proposed loss functions in dynamic network modeling.

The task of mixture proportion estimation (MPE) is to estimate the weight of a component distribution in a mixture, given observations from both the component and mixture. Previous work on MPE adopts the irreducibility assumption, which ensures identifiablity of the mixture proportion. In this paper, we propose a more general sufficient condition that accommodates several settings of interest where irreducibility does not hold. We further present a resampling-based meta-algorithm that takes any existing MPE algorithm designed to work under irreducibility and adapts it to work under our more general condition. Our approach empirically exhibits improved estimation performance relative to baseline methods and to a recently proposed regrouping-based algorithm.

This paper offers a new perspective to ease the challenge of domain generalization, which involves maintaining robust results even in unseen environments. Our design focuses on the decision-making process in the final classifier layer. Specifically, we propose treating the element-wise contributions to the final results as the rationale for making a decision and representing the rationale for each sample as a matrix. For a well-generalized model, we suggest the rationale matrices for samples belonging to the same category should be similar, indicating the model relies on domain-invariant clues to make decisions, thereby ensuring robust results. To implement this idea, we introduce a rationale invariance loss as a simple regularization technique, requiring only a few lines of code. Our experiments demonstrate that the proposed approach achieves competitive results across various datasets, despite its simplicity. Code is available at https://github.com/liangchen527/RIDG.

In this paper, we aim to optimize a contrastive loss with individualized temperatures in a principled and systematic manner for self-supervised learning. The common practice of using a global temperature parameter tau ignores the fact that ``not all semantics are created equal", meaning that different anchor data may have different numbers of samples with similar semantics, especially when data exhibits long-tails. First, we propose a new robust contrastive loss inspired by distributionally robust optimization (DRO), providing us an intuition about the effect of tau and a mechanism for automatic temperature individualization. Then, we propose an efficient stochastic algorithm for optimizing the robust contrastive loss with a provable convergence guarantee without using large mini-batch sizes. Theoretical and experimental results show that our algorithm automatically learns a suitable tau for each sample. Specifically, samples with frequent semantics use large temperatures to keep local semantic structures, while samples with rare semantics use small temperatures to induce more separable features. Our method not only outperforms prior strong baselines (e.g., SimCLR, CLIP) on unimodal and bimodal datasets with larger improvements on imbalanced data but also is less sensitive to hyper-parameters. To our best knowledge, this is the first methodical approach to optimizing a contrastive loss with individualized temperatures.

Recent one-shot video tuning methods, which fine-tune the network on a specific video based on pre-trained text-to-image models (e.g., Stable Diffusion), are popular in the community because of the flexibility. However, these methods often produce videos marred by incoherence and inconsistency. To address these limitations, this paper introduces a simple yet effective noise constraint across video frames. This constraint aims to regulate noise predictions across their temporal neighbors, resulting in smooth latents. It can be simply included as a loss term during the training phase. By applying the loss to existing one-shot video tuning methods, we significantly improve the overall consistency and smoothness of the generated videos. Furthermore, we argue that current video evaluation metrics inadequately capture smoothness. To address this, we introduce a novel metric that considers detailed features and their temporal dynamics. Experimental results validate the effectiveness of our approach in producing smoother videos on various one-shot video tuning baselines. The source codes and video demos are available at https://github.com/SPengLiang/SmoothVideo{https://github.com/SPengLiang/SmoothVideo}.

This paper introduces Bayesian Flow Networks (BFNs), a new class of generative model in which the parameters of a set of independent distributions are modified with Bayesian inference in the light of noisy data samples, then passed as input to a neural network that outputs a second, interdependent distribution. Starting from a simple prior and iteratively updating the two distributions yields a generative procedure similar to the reverse process of diffusion models; however it is conceptually simpler in that no forward process is required. Discrete and continuous-time loss functions are derived for continuous, discretised and discrete data, along with sample generation procedures. Notably, the network inputs for discrete data lie on the probability simplex, and are therefore natively differentiable, paving the way for gradient-based sample guidance and few-step generation in discrete domains such as language modelling. The loss function directly optimises data compression and places no restrictions on the network architecture. In our experiments BFNs achieve competitive log-likelihoods for image modelling on dynamically binarized MNIST and CIFAR-10, and outperform all known discrete diffusion models on the text8 character-level language modelling task.

In this paper, we introduce **harmonic loss** as an alternative to the standard cross-entropy loss for training neural networks and large language models (LLMs). Harmonic loss enables improved interpretability and faster convergence, owing to its scale invariance and finite convergence point by design, which can be interpreted as a class center. We first validate the performance of harmonic models across algorithmic, vision, and language datasets. Through extensive experiments, we demonstrate that models trained with harmonic loss outperform standard models by: (a) enhancing interpretability, (b) requiring less data for generalization, and (c) reducing grokking. Moreover, we compare a GPT-2 model trained with harmonic loss to the standard GPT-2, illustrating that the harmonic model develops more interpretable representations. Looking forward, we believe harmonic loss has the potential to become a valuable tool in domains with limited data availability or in high-stakes applications where interpretability and reliability are paramount, paving the way for more robust and efficient neural network models.

Consistency models are a nascent family of generative models that can sample high quality data in one step without the need for adversarial training. Current consistency models achieve optimal sample quality by distilling from pre-trained diffusion models and employing learned metrics such as LPIPS. However, distillation limits the quality of consistency models to that of the pre-trained diffusion model, and LPIPS causes undesirable bias in evaluation. To tackle these challenges, we present improved techniques for consistency training, where consistency models learn directly from data without distillation. We delve into the theory behind consistency training and identify a previously overlooked flaw, which we address by eliminating Exponential Moving Average from the teacher consistency model. To replace learned metrics like LPIPS, we adopt Pseudo-Huber losses from robust statistics. Additionally, we introduce a lognormal noise schedule for the consistency training objective, and propose to double total discretization steps every set number of training iterations. Combined with better hyperparameter tuning, these modifications enable consistency models to achieve FID scores of 2.51 and 3.25 on CIFAR-10 and ImageNet 64times 64 respectively in a single sampling step. These scores mark a 3.5times and 4times improvement compared to prior consistency training approaches. Through two-step sampling, we further reduce FID scores to 2.24 and 2.77 on these two datasets, surpassing those obtained via distillation in both one-step and two-step settings, while narrowing the gap between consistency models and other state-of-the-art generative models.

Research on loss surface geometry, such as Sharpness-Aware Minimization (SAM), shows that flatter minima improve generalization. Recent studies further reveal that flatter minima can also reduce the domain generalization (DG) gap. However, existing flatness-based DG techniques predominantly operate within a full-precision training process, which is impractical for deployment on resource-constrained edge devices that typically rely on lower bit-width representations (e.g., 4 bits, 3 bits). Consequently, low-precision quantization-aware training is critical for optimizing these techniques in real-world applications. In this paper, we observe a significant degradation in performance when applying state-of-the-art DG-SAM methods to quantized models, suggesting that current approaches fail to preserve generalizability during the low-precision training process. To address this limitation, we propose a novel Gradient-Adaptive Quantization-Aware Training (GAQAT) framework for DG. Our approach begins by identifying the scale-gradient conflict problem in low-precision quantization, where the task loss and smoothness loss induce conflicting gradients for the scaling factors of quantizers, with certain layers exhibiting opposing gradient directions. This conflict renders the optimization of quantized weights highly unstable. To mitigate this, we further introduce a mechanism to quantify gradient inconsistencies and selectively freeze the gradients of scaling factors, thereby stabilizing the training process and enhancing out-of-domain generalization. Extensive experiments validate the effectiveness of the proposed GAQAT framework. On PACS, our 3-bit and 4-bit models outperform direct DG-QAT integration by up to 4.5%. On DomainNet, the 4-bit model achieves near-lossless performance compared to full precision, with improvements of 1.39% (4-bit) and 1.06% (3-bit) over the SOTA QAT baseline.

Generalization to out-of-distribution (OOD) data is a critical challenge in machine learning. Ensemble-based methods, like weight space ensembles that interpolate model parameters, have been shown to achieve superior OOD performance. However, the underlying mechanism for their effectiveness remains unclear. In this study, we closely examine WiSE-FT, a popular weight space ensemble method that interpolates between a pre-trained and a fine-tuned model. We observe an unexpected phenomenon, in which WiSE-FT successfully corrects many cases where each individual model makes incorrect predictions, which contributes significantly to its OOD effectiveness. To gain further insights, we conduct theoretical analysis in a multi-class setting with a large number of spurious features. Our analysis predicts the above phenomenon and it further shows that ensemble-based models reduce prediction errors in the OOD settings by utilizing a more diverse set of spurious features. Contrary to the conventional wisdom that focuses on learning invariant features for better OOD performance, our findings suggest that incorporating a large number of diverse spurious features weakens their individual contributions, leading to improved overall OOD generalization performance. Empirically we demonstrate the effectiveness of utilizing diverse spurious features on a MultiColorMNIST dataset, and our experimental results are consistent with the theoretical analysis. Building upon the new theoretical insights into the efficacy of ensemble methods, we further identify an issue of WiSE-FT caused by the overconfidence of fine-tuned models in OOD situations. This overconfidence magnifies the fine-tuned model's incorrect prediction, leading to deteriorated OOD ensemble performance. To remedy this problem, we propose a novel method called BAlaNced averaGing (BANG), which significantly enhances the OOD performance of WiSE-FT.

Monocular 3D detectors achieve remarkable performance on cars and smaller objects. However, their performance drops on larger objects, leading to fatal accidents. Some attribute the failures to training data scarcity or their receptive field requirements of large objects. In this paper, we highlight this understudied problem of generalization to large objects. We find that modern frontal detectors struggle to generalize to large objects even on nearly balanced datasets. We argue that the cause of failure is the sensitivity of depth regression losses to noise of larger objects. To bridge this gap, we comprehensively investigate regression and dice losses, examining their robustness under varying error levels and object sizes. We mathematically prove that the dice loss leads to superior noise-robustness and model convergence for large objects compared to regression losses for a simplified case. Leveraging our theoretical insights, we propose SeaBird (Segmentation in Bird's View) as the first step towards generalizing to large objects. SeaBird effectively integrates BEV segmentation on foreground objects for 3D detection, with the segmentation head trained with the dice loss. SeaBird achieves SoTA results on the KITTI-360 leaderboard and improves existing detectors on the nuScenes leaderboard, particularly for large objects. Code and models at https://github.com/abhi1kumar/SeaBird

We explore the problem of generating minority samples using diffusion models. The minority samples are instances that lie on low-density regions of a data manifold. Generating a sufficient number of such minority instances is important, since they often contain some unique attributes of the data. However, the conventional generation process of the diffusion models mostly yields majority samples (that lie on high-density regions of the manifold) due to their high likelihoods, making themselves ineffective and time-consuming for the minority generating task. In this work, we present a novel framework that can make the generation process of the diffusion models focus on the minority samples. We first highlight that Tweedie's denoising formula yields favorable results for majority samples. The observation motivates us to introduce a metric that describes the uniqueness of a given sample. To address the inherent preference of the diffusion models w.r.t. the majority samples, we further develop minority guidance, a sampling technique that can guide the generation process toward regions with desired likelihood levels. Experiments on benchmark real datasets demonstrate that our minority guidance can greatly improve the capability of generating high-quality minority samples over existing generative samplers. We showcase that the performance benefit of our framework persists even in demanding real-world scenarios such as medical imaging, further underscoring the practical significance of our work. Code is available at https://github.com/soobin-um/minority-guidance.

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

Unsupervised anomaly detection (UAD) is a widely adopted approach in industry due to rare anomaly occurrences and data imbalance. A desirable characteristic of an UAD model is contained generalization ability which excels in the reconstruction of seen normal patterns but struggles with unseen anomalies. Recent studies have pursued to contain the generalization capability of their UAD models in reconstruction from different perspectives, such as design of neural network (NN) structure and training strategy. In contrast, we note that containing of generalization ability in reconstruction can also be obtained simply from steep-shaped loss landscape. Motivated by this, we propose a loss landscape sharpening method by amplifying the reconstruction loss, dubbed Loss AMPlification (LAMP). LAMP deforms the loss landscape into a steep shape so the reconstruction error on unseen anomalies becomes greater. Accordingly, the anomaly detection performance is improved without any change of the NN architecture. Our findings suggest that LAMP can be easily applied to any reconstruction error metrics in UAD settings where the reconstruction model is trained with anomaly-free samples only.

Averaging neural network parameters is an intuitive method for fusing the knowledge of two independent models. It is most prominently used in federated learning. If models are averaged at the end of training, this can only lead to a good performing model if the loss surface of interest is very particular, i.e., the loss in the midpoint between the two models needs to be sufficiently low. This is impossible to guarantee for the non-convex losses of state-of-the-art networks. For averaging models trained on vastly different datasets, it was proposed to average only the parameters of particular layers or combinations of layers, resulting in better performing models. To get a better understanding of the effect of layer-wise averaging, we analyse the performance of the models that result from averaging single layers, or groups of layers. Based on our empirical and theoretical investigation, we introduce a novel notion of the layer-wise linear connectivity, and show that deep networks do not have layer-wise barriers between them.

Momentum based optimizers are central to a wide range of machine learning applications. These typically rely on an Exponential Moving Average (EMA) of gradients, which decays exponentially the present contribution of older gradients. This accounts for gradients being local linear approximations which lose their relevance as the iterate moves along the loss landscape. This work questions the use of a single EMA to accumulate past gradients and empirically demonstrates how this choice can be sub-optimal: a single EMA cannot simultaneously give a high weight to the immediate past, and a non-negligible weight to older gradients. Building on this observation, we propose AdEMAMix, a simple modification of the Adam optimizer with a mixture of two EMAs to better take advantage of past gradients. Our experiments on language modeling and image classification show -- quite surprisingly -- that gradients can stay relevant for tens of thousands of steps. They help to converge faster, and often to lower minima: e.g., a 1.3B parameter AdEMAMix LLM trained on 101B tokens performs comparably to an AdamW model trained on 197B tokens (+95%). Moreover, our method significantly slows-down model forgetting during training. Our work motivates further exploration of different types of functions to leverage past gradients, beyond EMAs.

The study on improving the robustness of deep neural networks against adversarial examples grows rapidly in recent years. Among them, adversarial training is the most promising one, which flattens the input loss landscape (loss change with respect to input) via training on adversarially perturbed examples. However, how the widely used weight loss landscape (loss change with respect to weight) performs in adversarial training is rarely explored. In this paper, we investigate the weight loss landscape from a new perspective, and identify a clear correlation between the flatness of weight loss landscape and robust generalization gap. Several well-recognized adversarial training improvements, such as early stopping, designing new objective functions, or leveraging unlabeled data, all implicitly flatten the weight loss landscape. Based on these observations, we propose a simple yet effective Adversarial Weight Perturbation (AWP) to explicitly regularize the flatness of weight loss landscape, forming a double-perturbation mechanism in the adversarial training framework that adversarially perturbs both inputs and weights. Extensive experiments demonstrate that AWP indeed brings flatter weight loss landscape and can be easily incorporated into various existing adversarial training methods to further boost their adversarial robustness.