Daily Papers

Solving parametric partial differential equations (PDEs) and associated PDE-based, inverse problems is a central task in engineering and physics, yet existing neural operator methods struggle with high-dimensional, discontinuous inputs and require large amounts of {\em labeled} training data. We propose the Deep Generative Neural Operator (DGNO), a physics-aware framework that addresses these challenges by leveraging a deep, generative, probabilistic model in combination with a set of lower-dimensional, latent variables that simultaneously encode PDE-inputs and PDE-outputs. This formulation can make use of unlabeled data and significantly improves inverse problem-solving, particularly for discontinuous or discrete-valued input functions. DGNO enforces physics constraints without labeled data by incorporating as virtual observables, weak-form residuals based on compactly supported radial basis functions (CSRBFs). These relax regularity constraints and eliminate higher-order derivatives from the objective function. We also introduce MultiONet, a novel neural operator architecture, which is a more expressive generalization of the popular DeepONet that significantly enhances the approximating power of the proposed model. These innovations make DGNO particularly effective for challenging forward and inverse, PDE-based problems, such as those involving multi-phase media. Numerical experiments demonstrate that DGNO achieves higher accuracy across multiple benchmarks while exhibiting robustness to noise and strong generalization to out-of-distribution cases. Its adaptability, and the ability to handle sparse, noisy data while providing probabilistic estimates, make DGNO a powerful tool for scientific and engineering applications.

In this paper, we study the infinite-depth limit of finite-width residual neural networks with random Gaussian weights. With proper scaling, we show that by fixing the width and taking the depth to infinity, the pre-activations converge in distribution to a zero-drift diffusion process. Unlike the infinite-width limit where the pre-activation converge weakly to a Gaussian random variable, we show that the infinite-depth limit yields different distributions depending on the choice of the activation function. We document two cases where these distributions have closed-form (different) expressions. We further show an intriguing change of regime phenomenon of the post-activation norms when the width increases from 3 to 4. Lastly, we study the sequential limit infinite-depth-then-infinite-width and compare it with the more commonly studied infinite-width-then-infinite-depth limit.

We study the connection between multicalibration and boosting for squared error regression. First we prove a useful characterization of multicalibration in terms of a ``swap regret'' like condition on squared error. Using this characterization, we give an exceedingly simple algorithm that can be analyzed both as a boosting algorithm for regression and as a multicalibration algorithm for a class H that makes use only of a standard squared error regression oracle for H. We give a weak learning assumption on H that ensures convergence to Bayes optimality without the need to make any realizability assumptions -- giving us an agnostic boosting algorithm for regression. We then show that our weak learning assumption on H is both necessary and sufficient for multicalibration with respect to H to imply Bayes optimality. We also show that if H satisfies our weak learning condition relative to another class C then multicalibration with respect to H implies multicalibration with respect to C. Finally we investigate the empirical performance of our algorithm experimentally using an open source implementation that we make available. Our code repository can be found at https://github.com/Declancharrison/Level-Set-Boosting.

In this paper, we present an efficient method for storing fine-tuned models by leveraging the low-rank properties of weight residuals. Our key observation is that weight residuals in large overparameterized models exhibit even stronger low-rank characteristics. Based on this insight, we propose Efficient Residual Encoding (ERE), a novel approach that achieves efficient storage of fine-tuned model weights by approximating the low-rank weight residuals. Furthermore, we analyze the robustness of weight residuals and push the limit of storage efficiency by utilizing additional quantization and layer-wise rank allocation. Our experimental results demonstrate that our method significantly reduces memory footprint while preserving performance in various tasks and modalities. We release our code.

We analyze continual learning on a sequence of separable linear classification tasks with binary labels. We show theoretically that learning with weak regularization reduces to solving a sequential max-margin problem, corresponding to a special case of the Projection Onto Convex Sets (POCS) framework. We then develop upper bounds on the forgetting and other quantities of interest under various settings with recurring tasks, including cyclic and random orderings of tasks. We discuss several practical implications to popular training practices like regularization scheduling and weighting. We point out several theoretical differences between our continual classification setting and a recently studied continual regression setting.

Recent low-rank training methods, such as GaLore, have significantly reduced the memory required to optimize large language models (LLMs). However, these methods often suffer from time-consuming low-rank projection estimations. In particular, the singular value decomposition (SVD) in GaLore can consume more than 80\% of the total training time. To address this issue, we propose GaLore+, which uses cross-head low-rank projection to reduce the substantial time consumption in estimating low-rank projections for multi-head attention. In addition, we employ randomized subspace iteration to achieve fast SVD. To further enhance performance, we propose sparsely coded residuals to reduce the errors caused by low-rank approximation on the first- and second-order moments of the optimizers and weight updates. We evaluate GaLore+ on arithmetic reasoning and natural language generation datasets. Our experiments demonstrate that GaLore+ delivers superior performance while achieving approximately 4times fine-tuning speed compared to vanilla GaLore.

Residual neural networks are state-of-the-art deep learning models. Their continuous-depth analog, neural ordinary differential equations (ODEs), are also widely used. Despite their success, the link between the discrete and continuous models still lacks a solid mathematical foundation. In this article, we take a step in this direction by establishing an implicit regularization of deep residual networks towards neural ODEs, for nonlinear networks trained with gradient flow. We prove that if the network is initialized as a discretization of a neural ODE, then such a discretization holds throughout training. Our results are valid for a finite training time, and also as the training time tends to infinity provided that the network satisfies a Polyak-Lojasiewicz condition. Importantly, this condition holds for a family of residual networks where the residuals are two-layer perceptrons with an overparameterization in width that is only linear, and implies the convergence of gradient flow to a global minimum. Numerical experiments illustrate our results.

A novel gradient boosting framework is proposed where shallow neural networks are employed as ``weak learners''. General loss functions are considered under this unified framework with specific examples presented for classification, regression, and learning to rank. A fully corrective step is incorporated to remedy the pitfall of greedy function approximation of classic gradient boosting decision tree. The proposed model rendered outperforming results against state-of-the-art boosting methods in all three tasks on multiple datasets. An ablation study is performed to shed light on the effect of each model components and model hyperparameters.

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

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

Deep residual networks have emerged as a family of extremely deep architectures showing compelling accuracy and nice convergence behaviors. In this paper, we analyze the propagation formulations behind the residual building blocks, which suggest that the forward and backward signals can be directly propagated from one block to any other block, when using identity mappings as the skip connections and after-addition activation. A series of ablation experiments support the importance of these identity mappings. This motivates us to propose a new residual unit, which makes training easier and improves generalization. We report improved results using a 1001-layer ResNet on CIFAR-10 (4.62% error) and CIFAR-100, and a 200-layer ResNet on ImageNet. Code is available at: https://github.com/KaimingHe/resnet-1k-layers

Our motivation is to shed light the performance of the widely popular "R-Learner." Like many other methods for estimating conditional average treatment effects (CATEs), R-Learning can be expressed as a weighted pseudo-outcome regression (POR). Previous comparisons of POR techniques have paid careful attention to the choice of pseudo-outcome transformation. However, we argue that the dominant driver of performance is actually the choice of weights. Specifically, we argue that R-Learning implicitly performs an inverse-variance weighted form of POR. These weights stabilize the regression and allow for convenient simplifications of bias terms.

Convolutional neural network (CNN) depth is of crucial importance for image super-resolution (SR). However, we observe that deeper networks for image SR are more difficult to train. The low-resolution inputs and features contain abundant low-frequency information, which is treated equally across channels, hence hindering the representational ability of CNNs. To solve these problems, we propose the very deep residual channel attention networks (RCAN). Specifically, we propose a residual in residual (RIR) structure to form very deep network, which consists of several residual groups with long skip connections. Each residual group contains some residual blocks with short skip connections. Meanwhile, RIR allows abundant low-frequency information to be bypassed through multiple skip connections, making the main network focus on learning high-frequency information. Furthermore, we propose a channel attention mechanism to adaptively rescale channel-wise features by considering interdependencies among channels. Extensive experiments show that our RCAN achieves better accuracy and visual improvements against state-of-the-art methods.

Deep neural network is difficult to train and this predicament becomes worse as the depth increases. The essence of this problem exists in the magnitude of backpropagated errors that will result in gradient vanishing or exploding phenomenon. We show that a variant of regularizer which utilizes orthonormality among different filter banks can alleviate this problem. Moreover, we design a backward error modulation mechanism based on the quasi-isometry assumption between two consecutive parametric layers. Equipped with these two ingredients, we propose several novel optimization solutions that can be utilized for training a specific-structured (repetitively triple modules of Conv-BNReLU) extremely deep convolutional neural network (CNN) WITHOUT any shortcuts/ identity mappings from scratch. Experiments show that our proposed solutions can achieve distinct improvements for a 44-layer and a 110-layer plain networks on both the CIFAR-10 and ImageNet datasets. Moreover, we can successfully train plain CNNs to match the performance of the residual counterparts. Besides, we propose new principles for designing network structure from the insights evoked by orthonormality. Combined with residual structure, we achieve comparative performance on the ImageNet dataset.

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

Noise plagues many numerical datasets, where the recorded values in the data may fail to match the true underlying values due to reasons including: erroneous sensors, data entry/processing mistakes, or imperfect human estimates. We consider general regression settings with covariates and a potentially corrupted response whose observed values may contain errors. By accounting for various uncertainties, we introduced veracity scores that distinguish between genuine errors and natural data fluctuations, conditioned on the available covariate information in the dataset. We propose a simple yet efficient filtering procedure for eliminating potential errors, and establish theoretical guarantees for our method. We also contribute a new error detection benchmark involving 5 regression datasets with real-world numerical errors (for which the true values are also known). In this benchmark and additional simulation studies, our method identifies incorrect values with better precision/recall than other approaches.

We present WeakSTIL, an interpretable two-stage weak label deep learning pipeline for scoring the percentage of stromal tumor infiltrating lymphocytes (sTIL%) in H&E-stained whole-slide images (WSIs) of breast cancer tissue. The sTIL% score is a prognostic and predictive biomarker for many solid tumor types. However, due to the high labeling efforts and high intra- and interobserver variability within and between expert annotators, this biomarker is currently not used in routine clinical decision making. WeakSTIL compresses tiles of a WSI using a feature extractor pre-trained with self-supervised learning on unlabeled histopathology data and learns to predict precise sTIL% scores for each tile in the tumor bed by using a multiple instance learning regressor that only requires a weak WSI-level label. By requiring only a weak label, we overcome the large annotation efforts required to train currently existing TIL detection methods. We show that WeakSTIL is at least as good as other TIL detection methods when predicting the WSI-level sTIL% score, reaching a coefficient of determination of 0.45pm0.15 when compared to scores generated by an expert pathologist, and an AUC of 0.89pm0.05 when treating it as the clinically interesting sTIL-high vs sTIL-low classification task. Additionally, we show that the intermediate tile-level predictions of WeakSTIL are highly interpretable, which suggests that WeakSTIL pays attention to latent features related to the number of TILs and the tissue type. In the future, WeakSTIL may be used to provide consistent and interpretable sTIL% predictions to stratify breast cancer patients into targeted therapy arms.

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

In this paper, we introduce the idea of decomposing the residuals of regression with respect to the data instances instead of features. This allows us to determine the effects of each individual instance on the model and each other, and in doing so makes for a model-agnostic method of identifying instances of interest. In doing so, we can also determine the appropriateness of the model and data in the wider context of a given study. The paper focuses on the possible applications that such a framework brings to the relatively unexplored field of instance analysis in the context of Explainable AI tasks.

We employ random matrix theory to establish consistency of generalized cross validation (GCV) for estimating prediction risks of sketched ridge regression ensembles, enabling efficient and consistent tuning of regularization and sketching parameters. Our results hold for a broad class of asymptotically free sketches under very mild data assumptions. For squared prediction risk, we provide a decomposition into an unsketched equivalent implicit ridge bias and a sketching-based variance, and prove that the risk can be globally optimized by only tuning sketch size in infinite ensembles. For general subquadratic prediction risk functionals, we extend GCV to construct consistent risk estimators, and thereby obtain distributional convergence of the GCV-corrected predictions in Wasserstein-2 metric. This in particular allows construction of prediction intervals with asymptotically correct coverage conditional on the training data. We also propose an "ensemble trick" whereby the risk for unsketched ridge regression can be efficiently estimated via GCV using small sketched ridge ensembles. We empirically validate our theoretical results using both synthetic and real large-scale datasets with practical sketches including CountSketch and subsampled randomized discrete cosine transforms.

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

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

Despite the promise of Lipschitz-based methods for provably-robust deep learning with deterministic guarantees, current state-of-the-art results are limited to feed-forward Convolutional Networks (ConvNets) on low-dimensional data, such as CIFAR-10. This paper investigates strategies for expanding certifiably robust training to larger, deeper models. A key challenge in certifying deep networks is efficient calculation of the Lipschitz bound for residual blocks found in ResNet and ViT architectures. We show that fast ways of bounding the Lipschitz constant for conventional ResNets are loose, and show how to address this by designing a new residual block, leading to the Linear ResNet (LiResNet) architecture. We then introduce Efficient Margin MAximization (EMMA), a loss function that stabilizes robust training by simultaneously penalizing worst-case adversarial examples from all classes. Together, these contributions yield new state-of-the-art robust accuracy on CIFAR-10/100 and Tiny-ImageNet under ell_2 perturbations. Moreover, for the first time, we are able to scale up fast deterministic robustness guarantees to ImageNet, demonstrating that this approach to robust learning can be applied to real-world applications. We release our code on Github: https://github.com/klasleino/gloro.

Updating a truncated Singular Value Decomposition (SVD) is crucial in representation learning, especially when dealing with large-scale data matrices that continuously evolve in practical scenarios. Aligning SVD-based models with fast-paced updates becomes increasingly important. Existing methods for updating truncated SVDs employ Rayleigh-Ritz projection procedures, where projection matrices are augmented based on original singular vectors. However, these methods suffer from inefficiency due to the densification of the update matrix and the application of the projection to all singular vectors. To address these limitations, we introduce a novel method for dynamically approximating the truncated SVD of a sparse and temporally evolving matrix. Our approach leverages sparsity in the orthogonalization process of augmented matrices and utilizes an extended decomposition to independently store projections in the column space of singular vectors. Numerical experiments demonstrate a remarkable efficiency improvement of an order of magnitude compared to previous methods. Remarkably, this improvement is achieved while maintaining a comparable precision to existing approaches.

We consider the problem of linear estimation, and establish an extension of the Gauss-Markov theorem, in which the bias operator is allowed to be non-zero but bounded with respect to a matrix norm of Schatten type. We derive simple and explicit formulas for the optimal estimator in the cases of Nuclear and Spectral norms (with the Frobenius case recovering ridge regression). Additionally, we analytically derive the generalization error in multiple random matrix ensembles, and compare with Ridge regression. Finally, we conduct an extensive simulation study, in which we show that the cross-validated Nuclear and Spectral regressors can outperform Ridge in several circumstances.

N:M Structured sparsity has garnered significant interest as a result of relatively modest overhead and improved efficiency. Additionally, this form of sparsity holds considerable appeal for reducing the memory footprint owing to their modest representation overhead. There have been efforts to develop training recipes for N:M structured sparsity, they primarily focus on low-sparsity regions (sim50\%). Nonetheless, performance of models trained using these approaches tends to decline when confronted with high-sparsity regions (>80\%). In this work, we study the effectiveness of existing sparse training recipes at high-sparsity regions and argue that these methods fail to sustain the model quality on par with low-sparsity regions. We demonstrate that the significant factor contributing to this disparity is the presence of elevated levels of induced noise in the gradient magnitudes. To mitigate this undesirable effect, we employ decay mechanisms to progressively restrict the flow of gradients towards pruned elements. Our approach improves the model quality by up to 2% and 5% in vision and language models at high sparsity regime, respectively. We also evaluate the trade-off between model accuracy and training compute cost in terms of FLOPs. At iso-training FLOPs, our method yields better performance compared to conventional sparse training recipes, exhibiting an accuracy improvement of up to 2%. The source code is available at https://github.com/abhibambhaniya/progressive_gradient_flow_nm_sparsity.

Deep residual networks were shown to be able to scale up to thousands of layers and still have improving performance. However, each fraction of a percent of improved accuracy costs nearly doubling the number of layers, and so training very deep residual networks has a problem of diminishing feature reuse, which makes these networks very slow to train. To tackle these problems, in this paper we conduct a detailed experimental study on the architecture of ResNet blocks, based on which we propose a novel architecture where we decrease depth and increase width of residual networks. We call the resulting network structures wide residual networks (WRNs) and show that these are far superior over their commonly used thin and very deep counterparts. For example, we demonstrate that even a simple 16-layer-deep wide residual network outperforms in accuracy and efficiency all previous deep residual networks, including thousand-layer-deep networks, achieving new state-of-the-art results on CIFAR, SVHN, COCO, and significant improvements on ImageNet. Our code and models are available at https://github.com/szagoruyko/wide-residual-networks

This work challenges the residual prediction paradigm in visual autoregressive modeling and presents FlexVAR, a new Flexible Visual AutoRegressive image generation paradigm. FlexVAR facilitates autoregressive learning with ground-truth prediction, enabling each step to independently produce plausible images. This simple, intuitive approach swiftly learns visual distributions and makes the generation process more flexible and adaptable. Trained solely on low-resolution images (leq 256px), FlexVAR can: (1) Generate images of various resolutions and aspect ratios, even exceeding the resolution of the training images. (2) Support various image-to-image tasks, including image refinement, in/out-painting, and image expansion. (3) Adapt to various autoregressive steps, allowing for faster inference with fewer steps or enhancing image quality with more steps. Our 1.0B model outperforms its VAR counterpart on the ImageNet 256times256 benchmark. Moreover, when zero-shot transfer the image generation process with 13 steps, the performance further improves to 2.08 FID, outperforming state-of-the-art autoregressive models AiM/VAR by 0.25/0.28 FID and popular diffusion models LDM/DiT by 1.52/0.19 FID, respectively. When transferring our 1.0B model to the ImageNet 512times512 benchmark in a zero-shot manner, FlexVAR achieves competitive results compared to the VAR 2.3B model, which is a fully supervised model trained at 512times512 resolution.

The influential Residual Networks designed by He et al. remain the gold-standard architecture in numerous scientific publications. They typically serve as the default architecture in studies, or as baselines when new architectures are proposed. Yet there has been significant progress on best practices for training neural networks since the inception of the ResNet architecture in 2015. Novel optimization & data-augmentation have increased the effectiveness of the training recipes. In this paper, we re-evaluate the performance of the vanilla ResNet-50 when trained with a procedure that integrates such advances. We share competitive training settings and pre-trained models in the timm open-source library, with the hope that they will serve as better baselines for future work. For instance, with our more demanding training setting, a vanilla ResNet-50 reaches 80.4% top-1 accuracy at resolution 224x224 on ImageNet-val without extra data or distillation. We also report the performance achieved with popular models with our training procedure.

Recent research has generated hope that inference scaling could allow weaker language models to match or exceed the accuracy of stronger models, such as by repeatedly sampling solutions to a coding problem until it passes unit tests. The central thesis of this paper is that there is no free lunch for inference scaling: indefinite accuracy improvement through resampling can only be realized if the "verifier" (in this case, a set of unit tests) is perfect. When the verifier is imperfect, as it almost always is in domains such as reasoning or coding (for example, unit tests have imperfect coverage), there is a nonzero probability of false positives: incorrect solutions that pass the verifier. Resampling cannot decrease this probability, so it imposes an upper bound to the accuracy of resampling-based inference scaling even with an infinite compute budget. We find that there is a very strong correlation between the model's single-sample accuracy (i.e. accuracy without unit tests) and its false positive rate on coding benchmarks HumanEval and MBPP, whose unit tests have limited coverage. Therefore, no amount of inference scaling of weaker models can enable them to match the single-sample accuracy of a sufficiently strong model (Fig. 1a). When we consider that false positives have a negative utility compared to abstaining from producing a solution, it bends the inference scaling curve further downward. Empirically, we find that the optimal number of samples can be less than 10 under realistic assumptions (Fig. 1b). Finally, we show that beyond accuracy, false positives may have other undesirable qualities, such as poor adherence to coding style conventions.

Given a robust model trained to be resilient to one or multiple types of distribution shifts (e.g., natural image corruptions), how is that "robustness" encoded in the model weights, and how easily can it be disentangled and/or "zero-shot" transferred to some other models? This paper empirically suggests a surprisingly simple answer: linearly - by straightforward model weight arithmetic! We start by drawing several key observations: (1)assuming that we train the same model architecture on both a clean dataset and its corrupted version, resultant weights mostly differ in shallow layers; (2)the weight difference after projection, which we call "Robust Weight Signature" (RWS), appears to be discriminative and indicative of different corruption types; (3)for the same corruption type, the RWSs obtained by one model architecture are highly consistent and transferable across different datasets. We propose a minimalistic model robustness "patching" framework that carries a model trained on clean data together with its pre-extracted RWSs. In this way, injecting certain robustness to the model is reduced to directly adding the corresponding RWS to its weight. We verify our proposed framework to be remarkably (1)lightweight. since RWSs concentrate on the shallowest few layers and we further show they can be painlessly quantized, storing an RWS is up to 13 x more compact than storing the full weight copy; (2)in-situ adjustable. RWSs can be appended as needed and later taken off to restore the intact clean model. We further demonstrate one can linearly re-scale the RWS to control the patched robustness strength; (3)composable. Multiple RWSs can be added simultaneously to patch more comprehensive robustness at once; and (4)transferable. Even when the clean model backbone is continually adapted or updated, RWSs remain as effective patches due to their outstanding cross-dataset transferability.

Motion artefacts in magnetic resonance brain images can have a strong impact on diagnostic confidence. The assessment of MR image quality is fundamental before proceeding with the clinical diagnosis. Motion artefacts can alter the delineation of structures such as the brain, lesions or tumours and may require a repeat scan. Otherwise, an inaccurate (e.g. correct pathology but wrong severity) or incorrect diagnosis (e.g. wrong pathology) may occur. "Image quality assessment" as a fast, automated step right after scanning can assist in deciding if the acquired images are diagnostically sufficient. An automated image quality assessment based on the structural similarity index (SSIM) regression through a residual neural network is proposed in this work. Additionally, a classification into different groups - by subdividing with SSIM ranges - is evaluated. Importantly, this method predicts SSIM values of an input image in the absence of a reference ground truth image. The networks were able to detect motion artefacts, and the best performance for the regression and classification task has always been achieved with ResNet-18 with contrast augmentation. The mean and standard deviation of residuals' distribution were mu=-0.0009 and sigma=0.0139, respectively. Whilst for the classification task in 3, 5 and 10 classes, the best accuracies were 97, 95 and 89\%, respectively. The results show that the proposed method could be a tool for supporting neuro-radiologists and radiographers in evaluating image quality quickly.

We propose causal isotonic calibration, a novel nonparametric method for calibrating predictors of heterogeneous treatment effects. Furthermore, we introduce cross-calibration, a data-efficient variant of calibration that eliminates the need for hold-out calibration sets. Cross-calibration leverages cross-fitted predictors and generates a single calibrated predictor using all available data. Under weak conditions that do not assume monotonicity, we establish that both causal isotonic calibration and cross-calibration achieve fast doubly-robust calibration rates, as long as either the propensity score or outcome regression is estimated accurately in a suitable sense. The proposed causal isotonic calibrator can be wrapped around any black-box learning algorithm, providing robust and distribution-free calibration guarantees while preserving predictive performance.

Nonlinear sufficient dimension reductionlibing_generalSDR, which constructs nonlinear low-dimensional representations to summarize essential features of high-dimensional data, is an important branch of representation learning. However, most existing methods are not applicable when the response variables are complex non-Euclidean random objects, which are frequently encountered in many recent statistical applications. In this paper, we introduce a new statistical dependence measure termed Fr\'echet Cumulative Covariance (FCCov) and develop a novel nonlinear SDR framework based on FCCov. Our approach is not only applicable to complex non-Euclidean data, but also exhibits robustness against outliers. We further incorporate Feedforward Neural Networks (FNNs) and Convolutional Neural Networks (CNNs) to estimate nonlinear sufficient directions in the sample level. Theoretically, we prove that our method with squared Frobenius norm regularization achieves unbiasedness at the sigma-field level. Furthermore, we establish non-asymptotic convergence rates for our estimators based on FNNs and ResNet-type CNNs, which match the minimax rate of nonparametric regression up to logarithmic factors. Intensive simulation studies verify the performance of our methods in both Euclidean and non-Euclidean settings. We apply our method to facial expression recognition datasets and the results underscore more realistic and broader applicability of our proposal.

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

This paper introduces an end-to-end residual network that operates entirely on the Poincar\'e ball model of hyperbolic space. Hyperbolic learning has recently shown great potential for visual understanding, but is currently only performed in the penultimate layer(s) of deep networks. All visual representations are still learned through standard Euclidean networks. In this paper we investigate how to learn hyperbolic representations of visual data directly from the pixel-level. We propose Poincar\'e ResNet, a hyperbolic counterpart of the celebrated residual network, starting from Poincar\'e 2D convolutions up to Poincar\'e residual connections. We identify three roadblocks for training convolutional networks entirely in hyperbolic space and propose a solution for each: (i) Current hyperbolic network initializations collapse to the origin, limiting their applicability in deeper networks. We provide an identity-based initialization that preserves norms over many layers. (ii) Residual networks rely heavily on batch normalization, which comes with expensive Fr\'echet mean calculations in hyperbolic space. We introduce Poincar\'e midpoint batch normalization as a faster and equally effective alternative. (iii) Due to the many intermediate operations in Poincar\'e layers, we lastly find that the computation graphs of deep learning libraries blow up, limiting our ability to train on deep hyperbolic networks. We provide manual backward derivations of core hyperbolic operations to maintain manageable computation graphs.

We introduce Random Feature Representation Boosting (RFRBoost), a novel method for constructing deep residual random feature neural networks (RFNNs) using boosting theory. RFRBoost uses random features at each layer to learn the functional gradient of the network representation, enhancing performance while preserving the convex optimization benefits of RFNNs. In the case of MSE loss, we obtain closed-form solutions to greedy layer-wise boosting with random features. For general loss functions, we show that fitting random feature residual blocks reduces to solving a quadratically constrained least squares problem. We demonstrate, through numerical experiments on 91 tabular datasets for regression and classification, that RFRBoost significantly outperforms traditional RFNNs and end-to-end trained MLP ResNets, while offering substantial computational advantages and theoretical guarantees stemming from boosting theory.

In our era of enormous neural networks, empirical progress has been driven by the philosophy that more is better. Recent deep learning practice has found repeatedly that larger model size, more data, and more computation (resulting in lower training loss) improves performance. In this paper, we give theoretical backing to these empirical observations by showing that these three properties hold in random feature (RF) regression, a class of models equivalent to shallow networks with only the last layer trained. Concretely, we first show that the test risk of RF regression decreases monotonically with both the number of features and the number of samples, provided the ridge penalty is tuned optimally. In particular, this implies that infinite width RF architectures are preferable to those of any finite width. We then proceed to demonstrate that, for a large class of tasks characterized by powerlaw eigenstructure, training to near-zero training loss is obligatory: near-optimal performance can only be achieved when the training error is much smaller than the test error. Grounding our theory in real-world data, we find empirically that standard computer vision tasks with convolutional neural tangent kernels clearly fall into this class. Taken together, our results tell a simple, testable story of the benefits of overparameterization, overfitting, and more data in random feature models.

Backward compatibility of model predictions is a desired property when updating a machine learning driven application. It allows to seamlessly improve the underlying model without introducing regression bugs. In classification tasks these bugs occur in the form of negative flips. This means an instance that was correctly classified by the old model is now classified incorrectly by the updated model. This has direct negative impact on the user experience of such systems e.g. a frequently used voice assistant query is suddenly misclassified. A common reason to update the model is when new training data becomes available and needs to be incorporated. Simply retraining the model with the updated data introduces the unwanted negative flips. We study the problem of regression during data updates and propose Backward Compatible Weight Interpolation (BCWI). This method interpolates between the weights of the old and new model and we show in extensive experiments that it reduces negative flips without sacrificing the improved accuracy of the new model. BCWI is straight forward to implement and does not increase inference cost. We also explore the use of importance weighting during interpolation and averaging the weights of multiple new models in order to further reduce negative flips.

Small sample sizes are common in many disciplines, which necessitates pooling roughly similar datasets across multiple institutions to study weak but relevant associations between images and disease outcomes. Such data often manifest shift/imbalance in covariates (i.e., secondary non-imaging data). Controlling for such nuisance variables is common within standard statistical analysis, but the ideas do not directly apply to overparameterized models. Consequently, recent work has shown how strategies from invariant representation learning provides a meaningful starting point, but the current repertoire of methods is limited to accounting for shifts/imbalances in just a couple of covariates at a time. In this paper, we show how viewing this problem from the perspective of Category theory provides a simple and effective solution that completely avoids elaborate multi-stage training pipelines that would otherwise be needed. We show the effectiveness of this approach via extensive experiments on real datasets. Further, we discuss how this style of formulation offers a unified perspective on at least 5+ distinct problem settings, from self-supervised learning to matching problems in 3D reconstruction.

We study the problem of single-image zero-shot 3D shape reconstruction. Recent works learn zero-shot shape reconstruction through generative modeling of 3D assets, but these models are computationally expensive at train and inference time. In contrast, the traditional approach to this problem is regression-based, where deterministic models are trained to directly regress the object shape. Such regression methods possess much higher computational efficiency than generative methods. This raises a natural question: is generative modeling necessary for high performance, or conversely, are regression-based approaches still competitive? To answer this, we design a strong regression-based model, called ZeroShape, based on the converging findings in this field and a novel insight. We also curate a large real-world evaluation benchmark, with objects from three different real-world 3D datasets. This evaluation benchmark is more diverse and an order of magnitude larger than what prior works use to quantitatively evaluate their models, aiming at reducing the evaluation variance in our field. We show that ZeroShape not only achieves superior performance over state-of-the-art methods, but also demonstrates significantly higher computational and data efficiency.

Weight decay is a broadly used technique for training state-of-the-art deep networks from image classification to large language models. Despite its widespread usage and being extensively studied in the classical literature, its role remains poorly understood for deep learning. In this work, we highlight that the role of weight decay in modern deep learning is different from its regularization effect studied in classical learning theory. For deep networks on vision tasks trained with multipass SGD, we show how weight decay modifies the optimization dynamics enhancing the ever-present implicit regularization of SGD via the loss stabilization mechanism. In contrast, for large language models trained with nearly one-epoch training, we describe how weight decay balances the bias-variance tradeoff in stochastic optimization leading to lower training loss and improved training stability. Overall, we present a unifying perspective from ResNets on vision tasks to LLMs: weight decay is never useful as an explicit regularizer but instead changes the training dynamics in a desirable way. The code is available at https://github.com/tml-epfl/why-weight-decay

The stable periodic patterns present in time series data serve as the foundation for conducting long-horizon forecasts. In this paper, we pioneer the exploration of explicitly modeling this periodicity to enhance the performance of models in long-term time series forecasting (LTSF) tasks. Specifically, we introduce the Residual Cycle Forecasting (RCF) technique, which utilizes learnable recurrent cycles to model the inherent periodic patterns within sequences, and then performs predictions on the residual components of the modeled cycles. Combining RCF with a Linear layer or a shallow MLP forms the simple yet powerful method proposed in this paper, called CycleNet. CycleNet achieves state-of-the-art prediction accuracy in multiple domains including electricity, weather, and energy, while offering significant efficiency advantages by reducing over 90% of the required parameter quantity. Furthermore, as a novel plug-and-play technique, the RCF can also significantly improve the prediction accuracy of existing models, including PatchTST and iTransformer. The source code is available at: https://github.com/ACAT-SCUT/CycleNet.

This paper focuses on developing modern, efficient, lightweight models for dense predictions while trading off parameters, FLOPs, and performance. Inverted Residual Block (IRB) serves as the infrastructure for lightweight CNNs, but no counterpart has been recognized by attention-based studies. This work rethinks lightweight infrastructure from efficient IRB and effective components of Transformer from a unified perspective, extending CNN-based IRB to attention-based models and abstracting a one-residual Meta Mobile Block (MMB) for lightweight model design. Following simple but effective design criterion, we deduce a modern Inverted Residual Mobile Block (iRMB) and build a ResNet-like Efficient MOdel (EMO) with only iRMB for down-stream tasks. Extensive experiments on ImageNet-1K, COCO2017, and ADE20K benchmarks demonstrate the superiority of our EMO over state-of-the-art methods, e.g., EMO-1M/2M/5M achieve 71.5, 75.1, and 78.4 Top-1 that surpass equal-order CNN-/Attention-based models, while trading-off the parameter, efficiency, and accuracy well: running 2.8-4.0x faster than EdgeNeXt on iPhone14.

Financial markets have a vital role in the development of modern society. They allow the deployment of economic resources. Changes in stock prices reflect changes in the market. In this study, we focus on predicting stock prices by deep learning model. This is a challenge task, because there is much noise and uncertainty in information that is related to stock prices. So this work uses sparse autoencoders with one-dimension (1-D) residual convolutional networks which is a deep learning model, to de-noise the data. Long-short term memory (LSTM) is then used to predict the stock price. The prices, indices and macroeconomic variables in past are the features used to predict the next day's price. Experiment results show that 1-D residual convolutional networks can de-noise data and extract deep features better than a model that combines wavelet transforms (WT) and stacked autoencoders (SAEs). In addition, we compare the performances of model with two different forecast targets of stock price: absolute stock price and price rate of change. The results show that predicting stock price through price rate of change is better than predicting absolute prices directly.

This study investigates the application of deep residual networks for predicting the dynamics of interacting three-dimensional rigid bodies. We present a framework combining a 3D physics simulator implemented in C++ with a deep learning model constructed using PyTorch. The simulator generates training data encompassing linear and angular motion, elastic collisions, fluid friction, gravitational effects, and damping. Our deep residual network, consisting of an input layer, multiple residual blocks, and an output layer, is designed to handle the complexities of 3D dynamics. We evaluate the network's performance using a datasetof 10,000 simulated scenarios, each involving 3-5 interacting rigid bodies. The model achieves a mean squared error of 0.015 for position predictions and 0.022 for orientation predictions, representing a 25% improvement over baseline methods. Our results demonstrate the network's ability to capture intricate physical interactions, with particular success in predicting elastic collisions and rotational dynamics. This work significantly contributes to physics-informed machine learning by showcasing the immense potential of deep residual networks in modeling complex 3D physical systems. We discuss our approach's limitations and propose future directions for improving generalization to more diverse object shapes and materials.

We propose a structural default model for portfolio-wide valuation adjustments (xVAs) and represent it as a system of coupled backward stochastic differential equations. The framework is divided into four layers, each capturing a key component: (i) clean values, (ii) initial margin and Collateral Valuation Adjustment (ColVA), (iii) Credit/Debit Valuation Adjustments (CVA/DVA) together with Margin Valuation Adjustment (MVA), and (iv) Funding Valuation Adjustment (FVA). Because these layers depend on one another through collateral and default effects, a naive Monte Carlo approach would require deeply nested simulations, making the problem computationally intractable. To address this challenge, we use an iterative deep BSDE approach, handling each layer sequentially so that earlier outputs serve as inputs to the subsequent layers. Initial margin is computed via deep quantile regression to reflect margin requirements over the Margin Period of Risk. We also adopt a change-of-measure method that highlights rare but significant defaults of the bank or counterparty, ensuring that these events are accurately captured in the training process. We further extend Han and Long's (2020) a posteriori error analysis to BSDEs on bounded domains. Due to the random exit from the domain, we obtain an order of convergence of O(h^{1/4-epsilon}) rather than the usual O(h^{1/2}). Numerical experiments illustrate that this method drastically reduces computational demands and successfully scales to high-dimensional, non-symmetric portfolios. The results confirm its effectiveness and accuracy, offering a practical alternative to nested Monte Carlo simulations in multi-counterparty xVA analyses.

In this work, we re-formulate the model compression problem into the customized compensation problem: Given a compressed model, we aim to introduce residual low-rank paths to compensate for compression errors under customized requirements from users (e.g., tasks, compression ratios), resulting in greater flexibility in adjusting overall capacity without being constrained by specific compression formats. However, naively applying SVD to derive residual paths causes suboptimal utilization of the low-rank representation capacity. Instead, we propose Training-free Eigenspace Low-Rank Approximation (EoRA), a method that directly minimizes compression-induced errors without requiring gradient-based training, achieving fast optimization in minutes using a small amount of calibration data. EoRA projects compression errors into the eigenspace of input activations, leveraging eigenvalues to effectively prioritize the reconstruction of high-importance error components. Moreover, EoRA can be seamlessly integrated with fine-tuning and quantization to further improve effectiveness and efficiency. EoRA consistently outperforms previous methods in compensating errors for compressed LLaMA2/3 models on various tasks, such as language generation, commonsense reasoning, and math reasoning tasks (e.g., 31.31%/12.88% and 9.69% improvements on ARC-Easy/ARC-Challenge and MathQA when compensating LLaMA3-8B that is quantized to 4-bit and pruned to 2:4 sparsity). EoRA offers a scalable, training-free solution to compensate for compression errors, making it a powerful tool to deploy LLMs in various capacity and efficiency requirements.

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.

This work focuses on developing parameter-efficient and lightweight models for dense predictions while trading off parameters, FLOPs, and performance. Our goal is to set up the new frontier of the 5M magnitude lightweight model on various downstream tasks. Inverted Residual Block (IRB) serves as the infrastructure for lightweight CNNs, but no counterparts have been recognized by attention-based design. Our work rethinks the lightweight infrastructure of efficient IRB and practical components in Transformer from a unified perspective, extending CNN-based IRB to attention-based models and abstracting a one-residual Meta Mobile Block (MMBlock) for lightweight model design. Following neat but effective design criterion, we deduce a modern Improved Inverted Residual Mobile Block (i2RMB) and improve a hierarchical Efficient MOdel (EMOv2) with no elaborate complex structures. Considering the imperceptible latency for mobile users when downloading models under 4G/5G bandwidth and ensuring model performance, we investigate the performance upper limit of lightweight models with a magnitude of 5M. Extensive experiments on various vision recognition, dense prediction, and image generation tasks demonstrate the superiority of our EMOv2 over state-of-the-art methods, e.g., EMOv2-1M/2M/5M achieve 72.3, 75.8, and 79.4 Top-1 that surpass equal-order CNN-/Attention-based models significantly. At the same time, EMOv2-5M equipped RetinaNet achieves 41.5 mAP for object detection tasks that surpasses the previous EMO-5M by +2.6. When employing the more robust training recipe, our EMOv2-5M eventually achieves 82.9 Top-1 accuracy, which elevates the performance of 5M magnitude models to a new level. Code is available at https://github.com/zhangzjn/EMOv2.

The growing body of research shows how to replace classical partial differential equation (PDE) integrators with neural networks. The popular strategy is to generate the input-output pairs with a PDE solver, train the neural network in the regression setting, and use the trained model as a cheap surrogate for the solver. The bottleneck in this scheme is the number of expensive queries of a PDE solver needed to generate the dataset. To alleviate the problem, we propose a computationally cheap augmentation strategy based on general covariance and simple random coordinate transformations. Our approach relies on the fact that physical laws are independent of the coordinate choice, so the change in the coordinate system preserves the type of a parametric PDE and only changes PDE's data (e.g., initial conditions, diffusion coefficient). For tried neural networks and partial differential equations, proposed augmentation improves test error by 23% on average. The worst observed result is a 17% increase in test error for multilayer perceptron, and the best case is a 80% decrease for dilated residual network.

Calibrated uncertainty estimates in machine learning are crucial to many fields such as autonomous vehicles, medicine, and weather and climate forecasting. While there is extensive literature on uncertainty calibration for classification, the classification findings do not always translate to regression. As a result, modern models for predicting uncertainty in regression settings typically produce uncalibrated and overconfident estimates. To address these gaps, we present a calibration method for regression settings that does not assume a particular uncertainty distribution over the error: Calibrating Regression Uncertainty Distributions Empirically (CRUDE). CRUDE makes the weaker assumption that error distributions have a constant arbitrary shape across the output space, shifted by predicted mean and scaled by predicted standard deviation. We detail a theoretical connection between CRUDE and conformal inference. Across an extensive set of regression tasks, CRUDE demonstrates consistently sharper, better calibrated, and more accurate uncertainty estimates than state-of-the-art techniques.

Deeper neural networks are more difficult to train. We present a residual learning framework to ease the training of networks that are substantially deeper than those used previously. We explicitly reformulate the layers as learning residual functions with reference to the layer inputs, instead of learning unreferenced functions. We provide comprehensive empirical evidence showing that these residual networks are easier to optimize, and can gain accuracy from considerably increased depth. On the ImageNet dataset we evaluate residual nets with a depth of up to 152 layers---8x deeper than VGG nets but still having lower complexity. An ensemble of these residual nets achieves 3.57% error on the ImageNet test set. This result won the 1st place on the ILSVRC 2015 classification task. We also present analysis on CIFAR-10 with 100 and 1000 layers. The depth of representations is of central importance for many visual recognition tasks. Solely due to our extremely deep representations, we obtain a 28% relative improvement on the COCO object detection dataset. Deep residual nets are foundations of our submissions to ILSVRC & COCO 2015 competitions, where we also won the 1st places on the tasks of ImageNet detection, ImageNet localization, COCO detection, and COCO segmentation.

This paper reveals a novel linear characteristic exclusive to transformer decoders, including models such as GPT, LLaMA, OPT, BLOOM and others. We analyze embedding transformations between sequential layers, uncovering a near-perfect linear relationship (Procrustes similarity score of 0.99). However, linearity decreases when the residual component is removed due to a consistently low output norm of the transformer layer. Our experiments show that removing or linearly approximating some of the most linear blocks of transformers does not affect significantly the loss or model performance. Moreover, in our pretraining experiments on smaller models we introduce a cosine-similarity-based regularization, aimed at reducing layer linearity. This regularization improves performance metrics on benchmarks like Tiny Stories and SuperGLUE and as well successfully decreases the linearity of the models. This study challenges the existing understanding of transformer architectures, suggesting that their operation may be more linear than previously assumed.

Training deep neural networks is a challenging non-convex optimization problem. Recent work has proven that the strong duality holds (which means zero duality gap) for regularized finite-width two-layer ReLU networks and consequently provided an equivalent convex training problem. However, extending this result to deeper networks remains to be an open problem. In this paper, we prove that the duality gap for deeper linear networks with vector outputs is non-zero. In contrast, we show that the zero duality gap can be obtained by stacking standard deep networks in parallel, which we call a parallel architecture, and modifying the regularization. Therefore, we prove the strong duality and existence of equivalent convex problems that enable globally optimal training of deep networks. As a by-product of our analysis, we demonstrate that the weight decay regularization on the network parameters explicitly encourages low-rank solutions via closed-form expressions. In addition, we show that strong duality holds for three-layer standard ReLU networks given rank-1 data matrices.

This work proposes a Residual Recurrent Neural Network (RRNet) for synthetically extracting spectral information, and estimating stellar atmospheric parameters together with 15 chemical element abundances for medium-resolution spectra from Large Sky Area Multi-Object Fiber Spectroscopic Telescope (LAMOST). The RRNet consists of two fundamental modules: a residual module and a recurrent module. The residual module extracts spectral features based on the longitudinally driving power from parameters, while the recurrent module recovers spectral information and restrains the negative influences from noises based on Cross-band Belief Enhancement. RRNet is trained by the spectra from common stars between LAMOST DR7 and APOGEE-Payne catalog. The 17 stellar parameters and their uncertainties for 2.37 million medium-resolution spectra from LAMOST DR7 are predicted. For spectra with S/N >= 10, the precision of estimations Teff and log g are 88 K and 0.13 dex respectively, elements C, Mg, Al, Si, Ca, Fe, Ni are 0.05 dex to 0.08 dex, and N, O, S, K, Ti, Cr, Mn are 0.09 dex to 0.14 dex, while that of Cu is 0.19 dex. Compared with StarNet and SPCANet, RRNet shows higher accuracy and robustness. In comparison to Apache Point Observatory Galactic Evolution Experiment and Galactic Archaeology with HERMES surveys, RRNet manifests good consistency within a reasonable range of bias. Finally, this work releases a catalog for 2.37 million medium-resolution spectra from the LAMOST DR7, the source code, the trained model and the experimental data respectively for astronomical science exploration and data processing algorithm research reference.

State-of-the-art methods for conditional average treatment effect (CATE) estimation make widespread use of representation learning. Here, the idea is to reduce the variance of the low-sample CATE estimation by a (potentially constrained) low-dimensional representation. However, low-dimensional representations can lose information about the observed confounders and thus lead to bias, because of which the validity of representation learning for CATE estimation is typically violated. In this paper, we propose a new, representation-agnostic framework for estimating bounds on the representation-induced confounding bias that comes from dimensionality reduction (or other constraints on the representations) in CATE estimation. First, we establish theoretically under which conditions CATEs are non-identifiable given low-dimensional (constrained) representations. Second, as our remedy, we propose to perform partial identification of CATEs or, equivalently, aim at estimating of lower and upper bounds of the representation-induced confounding bias. We demonstrate the effectiveness of our bounds in a series of experiments. In sum, our framework is of direct relevance in practice where the validity of CATE estimation is of importance.

We uncover how SGD interacts with batch normalization and can exhibit undesirable training dynamics such as divergence. More precisely, we study how Single Shuffle (SS) and Random Reshuffle (RR) -- two widely used variants of SGD -- interact surprisingly differently in the presence of batch normalization: RR leads to much more stable evolution of training loss than SS. As a concrete example, for regression using a linear network with batch normalization, we prove that SS and RR converge to distinct global optima that are "distorted" away from gradient descent. Thereafter, for classification we characterize conditions under which training divergence for SS and RR can, and cannot occur. We present explicit constructions to show how SS leads to distorted optima in regression and divergence for classification, whereas RR avoids both distortion and divergence. We validate our results by confirming them empirically in realistic settings, and conclude that the separation between SS and RR used with batch normalization is relevant in practice.

The ability to learn new concepts continually is necessary in this ever-changing world. However, deep neural networks suffer from catastrophic forgetting when learning new categories. Many works have been proposed to alleviate this phenomenon, whereas most of them either fall into the stability-plasticity dilemma or take too much computation or storage overhead. Inspired by the gradient boosting algorithm to gradually fit the residuals between the target model and the previous ensemble model, we propose a novel two-stage learning paradigm FOSTER, empowering the model to learn new categories adaptively. Specifically, we first dynamically expand new modules to fit the residuals between the target and the output of the original model. Next, we remove redundant parameters and feature dimensions through an effective distillation strategy to maintain the single backbone model. We validate our method FOSTER on CIFAR-100 and ImageNet-100/1000 under different settings. Experimental results show that our method achieves state-of-the-art performance. Code is available at: https://github.com/G-U-N/ECCV22-FOSTER.

This paper studies the error metric selection for long-term memory learning in sequence modelling. We examine the bias towards short-term memory in commonly used errors, including mean absolute/squared error. Our findings show that all temporally positive-weighted errors are biased towards short-term memory in learning linear functionals. To reduce this bias and improve long-term memory learning, we propose the use of a temporally rescaled error. In addition to reducing the bias towards short-term memory, this approach can also alleviate the vanishing gradient issue. We conduct numerical experiments on different long-memory tasks and sequence models to validate our claims. Numerical results confirm the importance of appropriate temporally rescaled error for effective long-term memory learning. To the best of our knowledge, this is the first work that quantitatively analyzes different errors' memory bias towards short-term memory in sequence modelling.

This paper proposes a method for the automatic creation of variables (in the case of regression) that complement the information contained in the initial input vector. The method works as a pre-processing step in which the continuous values of the variable to be regressed are discretized into a set of intervals which are then used to define value thresholds. Then classifiers are trained to predict whether the value to be regressed is less than or equal to each of these thresholds. The different outputs of the classifiers are then concatenated in the form of an additional vector of variables that enriches the initial vector of the regression problem. The implemented system can thus be considered as a generic pre-processing tool. We tested the proposed enrichment method with 5 types of regressors and evaluated it in 33 regression datasets. Our experimental results confirm the interest of the approach.

We introduce a novel class of sample-based explanations we term high-dimensional representers, that can be used to explain the predictions of a regularized high-dimensional model in terms of importance weights for each of the training samples. Our workhorse is a novel representer theorem for general regularized high-dimensional models, which decomposes the model prediction in terms of contributions from each of the training samples: with positive (negative) values corresponding to positive (negative) impact training samples to the model's prediction. We derive consequences for the canonical instances of ell_1 regularized sparse models, and nuclear norm regularized low-rank models. As a case study, we further investigate the application of low-rank models in the context of collaborative filtering, where we instantiate high-dimensional representers for specific popular classes of models. Finally, we study the empirical performance of our proposed methods on three real-world binary classification datasets and two recommender system datasets. We also showcase the utility of high-dimensional representers in explaining model recommendations.

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

Recent self-supervised methods for image representation learning are based on maximizing the agreement between embedding vectors from different views of the same image. A trivial solution is obtained when the encoder outputs constant vectors. This collapse problem is often avoided through implicit biases in the learning architecture, that often lack a clear justification or interpretation. In this paper, we introduce VICReg (Variance-Invariance-Covariance Regularization), a method that explicitly avoids the collapse problem with a simple regularization term on the variance of the embeddings along each dimension individually. VICReg combines the variance term with a decorrelation mechanism based on redundancy reduction and covariance regularization, and achieves results on par with the state of the art on several downstream tasks. In addition, we show that incorporating our new variance term into other methods helps stabilize the training and leads to performance improvements.

As the parameters of LLMs expand, the computational cost of fine-tuning the entire model becomes prohibitive. To address this challenge, we introduce a PEFT method, Principal Singular values and Singular vectors Adaptation (PiSSA), which optimizes a significantly reduced parameter space while achieving or surpassing the performance of full-parameter fine-tuning. PiSSA is inspired by Intrinsic SAID, which suggests that pre-trained, over-parametrized models inhabit a space of low intrinsic dimension. Consequently, PiSSA represents a matrix W within the model by the product of two trainable matrices A and B, plus a residual matrix W^{res} for error correction. SVD is employed to factorize W, and the principal singular values and vectors of W are utilized to initialize A and B. The residual singular values and vectors initialize the residual matrix W^{res}, which keeps frozen during fine-tuning. Notably, PiSSA shares the same architecture with LoRA. However, LoRA approximates Delta W through the product of two matrices, A, initialized with Gaussian noise, and B, initialized with zeros, while PiSSA initializes A and B with principal singular values and vectors of the original matrix W. PiSSA can better approximate the outcomes of full-parameter fine-tuning at the beginning by changing the essential parts while freezing the "noisy" parts. In comparison, LoRA freezes the original matrix and updates the "noise". This distinction enables PiSSA to convergence much faster than LoRA and also achieve better performance in the end. Due to the same architecture, PiSSA inherits many of LoRA's advantages, such as parameter efficiency and compatibility with quantization. Leveraging a fast SVD method, the initialization of PiSSA takes only a few seconds, inducing negligible cost of switching LoRA to PiSSA.

Stock prices forecasting has always been a challenging task. Although many research projects adopt machine learning and deep learning algorithms to address the problem, few of them pay attention to the varying degrees of dependencies between stock prices. In this paper we introduce a hybrid model that improves stock price prediction by emphasizing the dependencies between adjacent stock prices. The proposed model, ResNLS, is mainly composed of two neural architectures, ResNet and LSTM. ResNet serves as a feature extractor to identify dependencies between stock prices across time windows, while LSTM analyses the initial time-series data with the combination of dependencies which considered as residuals. In predicting the SSE Composite Index, our experiment reveals that when the closing price data for the previous 5 consecutive trading days is used as the input, the performance of the model (ResNLS-5) is optimal compared to those with other inputs. Furthermore, ResNLS-5 outperforms vanilla CNN, RNN, LSTM, and BiLSTM models in terms of prediction accuracy. It also demonstrates at least a 20% improvement over the current state-of-the-art baselines. To verify whether ResNLS-5 can help clients effectively avoid risks and earn profits in the stock market, we construct a quantitative trading framework for back testing. The experimental results show that the trading strategy based on predictions from ResNLS-5 can successfully mitigate losses during declining stock prices and generate profits in the periods of rising stock prices.

Inducing and leveraging sparse activations during training and inference is a promising avenue for improving the computational efficiency of deep networks, which is increasingly important as network sizes continue to grow and their application becomes more widespread. Here we use the large width Gaussian process limit to analyze the behaviour, at random initialization, of nonlinear activations that induce sparsity in the hidden outputs. A previously unreported form of training instability is proven for arguably two of the most natural candidates for hidden layer sparsification; those being a shifted ReLU (phi(x)=max(0, x-tau) for tauge 0) and soft thresholding (phi(x)=0 for |x|letau and x-sign(x)tau for |x|>tau). We show that this instability is overcome by clipping the nonlinear activation magnitude, at a level prescribed by the shape of the associated Gaussian process variance map. Numerical experiments verify the theory and show that the proposed magnitude clipped sparsifying activations can be trained with training and test fractional sparsity as high as 85\% while retaining close to full accuracy.

Deep learning has been successfully applied to the single-image super-resolution (SISR) task with great performance in recent years. However, most convolutional neural network based SR models require heavy computation, which limit their real-world applications. In this work, a lightweight SR network, named Adaptive Weighted Super-Resolution Network (AWSRN), is proposed for SISR to address this issue. A novel local fusion block (LFB) is designed in AWSRN for efficient residual learning, which consists of stacked adaptive weighted residual units (AWRU) and a local residual fusion unit (LRFU). Moreover, an adaptive weighted multi-scale (AWMS) module is proposed to make full use of features in reconstruction layer. AWMS consists of several different scale convolutions, and the redundancy scale branch can be removed according to the contribution of adaptive weights in AWMS for lightweight network. The experimental results on the commonly used datasets show that the proposed lightweight AWSRN achieves superior performance on x2, x3, x4, and x8 scale factors to state-of-the-art methods with similar parameters and computational overhead. Code is avaliable at: https://github.com/ChaofWang/AWSRN

The rehearsal strategy is widely used to alleviate the catastrophic forgetting problem in class incremental learning (CIL) by preserving limited exemplars from previous tasks. With imbalanced sample numbers between old and new classes, the classifier learning can be biased. Existing CIL methods exploit the long-tailed (LT) recognition techniques, e.g., the adjusted losses and the data re-sampling methods, to handle the data imbalance issue within each increment task. In this work, the dynamic nature of data imbalance in CIL is shown and a novel Dynamic Residual Classifier (DRC) is proposed to handle this challenging scenario. Specifically, DRC is built upon a recent advance residual classifier with the branch layer merging to handle the model-growing problem. Moreover, DRC is compatible with different CIL pipelines and substantially improves them. Combining DRC with the model adaptation and fusion (MAF) pipeline, this method achieves state-of-the-art results on both the conventional CIL and the LT-CIL benchmarks. Extensive experiments are also conducted for a detailed analysis. The code is publicly available.

Learning to denoise has emerged as a prominent paradigm to design state-of-the-art deep generative models for natural images. How to use it to model the distributions of both continuous real-valued data and categorical data has been well studied in recently proposed diffusion models. However, it is found in this paper to have limited ability in modeling some other types of data, such as count and non-negative continuous data, that are often highly sparse, skewed, heavy-tailed, and/or overdispersed. To this end, we propose learning to jump as a general recipe for generative modeling of various types of data. Using a forward count thinning process to construct learning objectives to train a deep neural network, it employs a reverse count thickening process to iteratively refine its generation through that network. We demonstrate when learning to jump is expected to perform comparably to learning to denoise, and when it is expected to perform better. For example, learning to jump is recommended when the training data is non-negative and exhibits strong sparsity, skewness, heavy-tailedness, and/or heterogeneity.

We introduce a new family of deep neural network models. Instead of specifying a discrete sequence of hidden layers, we parameterize the derivative of the hidden state using a neural network. The output of the network is computed using a black-box differential equation solver. These continuous-depth models have constant memory cost, adapt their evaluation strategy to each input, and can explicitly trade numerical precision for speed. We demonstrate these properties in continuous-depth residual networks and continuous-time latent variable models. We also construct continuous normalizing flows, a generative model that can train by maximum likelihood, without partitioning or ordering the data dimensions. For training, we show how to scalably backpropagate through any ODE solver, without access to its internal operations. This allows end-to-end training of ODEs within larger models.

Sparsity in the structure of Neural Networks can lead to less energy consumption, less memory usage, faster computation times on convenient hardware, and automated machine learning. If sparsity gives rise to certain kinds of structure, it can explain automatically obtained features during learning. We provide insights into experiments in which we show how sparsity can be achieved through prior initialization, pruning, and during learning, and answer questions on the relationship between the structure of Neural Networks and their performance. This includes the first work of inducing priors from network theory into Recurrent Neural Networks and an architectural performance prediction during a Neural Architecture Search. Within our experiments, we show how magnitude class blinded pruning achieves 97.5% on MNIST with 80% compression and re-training, which is 0.5 points more than without compression, that magnitude class uniform pruning is significantly inferior to it and how a genetic search enhanced with performance prediction achieves 82.4% on CIFAR10. Further, performance prediction for Recurrent Networks learning the Reber grammar shows an R^2 of up to 0.81 given only structural information.

We present TraDE, a self-attention-based architecture for auto-regressive density estimation with continuous and discrete valued data. Our model is trained using a penalized maximum likelihood objective, which ensures that samples from the density estimate resemble the training data distribution. The use of self-attention means that the model need not retain conditional sufficient statistics during the auto-regressive process beyond what is needed for each covariate. On standard tabular and image data benchmarks, TraDE produces significantly better density estimates than existing approaches such as normalizing flow estimators and recurrent auto-regressive models. However log-likelihood on held-out data only partially reflects how useful these estimates are in real-world applications. In order to systematically evaluate density estimators, we present a suite of tasks such as regression using generated samples, out-of-distribution detection, and robustness to noise in the training data and demonstrate that TraDE works well in these scenarios.

Flow-based generative models parameterize probability distributions through an invertible transformation and can be trained by maximum likelihood. Invertible residual networks provide a flexible family of transformations where only Lipschitz conditions rather than strict architectural constraints are needed for enforcing invertibility. However, prior work trained invertible residual networks for density estimation by relying on biased log-density estimates whose bias increased with the network's expressiveness. We give a tractable unbiased estimate of the log density using a "Russian roulette" estimator, and reduce the memory required during training by using an alternative infinite series for the gradient. Furthermore, we improve invertible residual blocks by proposing the use of activation functions that avoid derivative saturation and generalizing the Lipschitz condition to induced mixed norms. The resulting approach, called Residual Flows, achieves state-of-the-art performance on density estimation amongst flow-based models, and outperforms networks that use coupling blocks at joint generative and discriminative modeling.

We study the problem of detecting the correlation between two Gaussian databases XinR^{ntimes d} and Y^{ntimes d}, each composed of n users with d features. This problem is relevant in the analysis of social media, computational biology, etc. We formulate this as a hypothesis testing problem: under the null hypothesis, these two databases are statistically independent. Under the alternative, however, there exists an unknown permutation sigma over the set of n users (or, row permutation), such that X is rho-correlated with Y^sigma, a permuted version of Y. We determine sharp thresholds at which optimal testing exhibits a phase transition, depending on the asymptotic regime of n and d. Specifically, we prove that if rho^2dto0, as dtoinfty, then weak detection (performing slightly better than random guessing) is statistically impossible, irrespectively of the value of n. This compliments the performance of a simple test that thresholds the sum all entries of X^TY. Furthermore, when d is fixed, we prove that strong detection (vanishing error probability) is impossible for any rho<rho^star, where rho^star is an explicit function of d, while weak detection is again impossible as long as rho^2dto0. These results close significant gaps in current recent related studies.

In observational studies, balancing covariates in different treatment groups is essential to estimate treatment effects. One of the most commonly used methods for such purposes is weighting. The performance of this class of methods usually depends on strong regularity conditions for the underlying model, which might not hold in practice. In this paper, we investigate weighting methods from a functional estimation perspective and argue that the weights needed for covariate balancing could differ from those needed for treatment effects estimation under low regularity conditions. Motivated by this observation, we introduce a new framework of weighting that directly targets the treatment effects estimation. Unlike existing methods, the resulting estimator for a treatment effect under this new framework is a simple kernel-based U-statistic after applying a data-driven transformation to the observed covariates. We characterize the theoretical properties of the new estimators of treatment effects under a nonparametric setting and show that they are able to work robustly under low regularity conditions. The new framework is also applied to several numerical examples to demonstrate its practical merits.

Neural fields, a category of neural networks trained to represent high-frequency signals, have gained significant attention in recent years due to their impressive performance in modeling complex 3D data, especially large neural signed distance (SDFs) or radiance fields (NeRFs) via a single multi-layer perceptron (MLP). However, despite the power and simplicity of representing signals with an MLP, these methods still face challenges when modeling large and complex temporal signals due to the limited capacity of MLPs. In this paper, we propose an effective approach to address this limitation by incorporating temporal residual layers into neural fields, dubbed ResFields, a novel class of networks specifically designed to effectively represent complex temporal signals. We conduct a comprehensive analysis of the properties of ResFields and propose a matrix factorization technique to reduce the number of trainable parameters and enhance generalization capabilities. Importantly, our formulation seamlessly integrates with existing techniques and consistently improves results across various challenging tasks: 2D video approximation, dynamic shape modeling via temporal SDFs, and dynamic NeRF reconstruction. Lastly, we demonstrate the practical utility of ResFields by showcasing its effectiveness in capturing dynamic 3D scenes from sparse sensory inputs of a lightweight capture system.

Two different approaches exist to handle missing values for prediction: either imputation, prior to fitting any predictive algorithms, or dedicated methods able to natively incorporate missing values. While imputation is widely (and easily) use, it is unfortunately biased when low-capacity predictors (such as linear models) are applied afterward. However, in practice, naive imputation exhibits good predictive performance. In this paper, we study the impact of imputation in a high-dimensional linear model with MCAR missing data. We prove that zero imputation performs an implicit regularization closely related to the ridge method, often used in high-dimensional problems. Leveraging on this connection, we establish that the imputation bias is controlled by a ridge bias, which vanishes in high dimension. As a predictor, we argue in favor of the averaged SGD strategy, applied to zero-imputed data. We establish an upper bound on its generalization error, highlighting that imputation is benign in the d sqrt n regime. Experiments illustrate our findings.

We propose SLoPe, a Double-Pruned Sparse Plus Lazy Low-rank Adapter Pretraining method for LLMs that improves the accuracy of sparse LLMs while accelerating their pretraining and inference and reducing their memory footprint. Sparse pretraining of LLMs reduces the accuracy of the model, to overcome this, prior work uses dense models during fine-tuning. SLoPe improves the accuracy of sparsely pretrained models by adding low-rank adapters in the final 1% iterations of pretraining without adding significant overheads to the model pretraining and inference. In addition, SLoPe uses a double-pruned backward pass formulation that prunes the transposed weight matrix using N:M sparsity structures to enable an accelerated sparse backward pass. SLoPe accelerates the training and inference of models with billions of parameters up to 1.14times and 1.34times respectively (OPT-33B and OPT-66B) while reducing their memory usage by up to 0.77times and 0.51times for training and inference respectively.

Conformal prediction (CP) for regression can be challenging, especially when the output distribution is heteroscedastic, multimodal, or skewed. Some of the issues can be addressed by estimating a distribution over the output, but in reality, such approaches can be sensitive to estimation error and yield unstable intervals.~Here, we circumvent the challenges by converting regression to a classification problem and then use CP for classification to obtain CP sets for regression.~To preserve the ordering of the continuous-output space, we design a new loss function and make necessary modifications to the CP classification techniques.~Empirical results on many benchmarks shows that this simple approach gives surprisingly good results on many practical problems.

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

The goal of diffusion generative models is to align the learned distribution with the real data distribution through gradient score matching. However, inherent limitations in training data quality, modeling strategies, and architectural design lead to inevitable gap between generated outputs and real data. To reduce this gap, we propose Weak-to-Strong Diffusion (W2SD), a novel framework that utilizes the estimated difference between existing weak and strong models (i.e., weak-to-strong difference) to approximate the gap between an ideal model and a strong model. By employing a reflective operation that alternates between denoising and inversion with weak-to-strong difference, we theoretically understand that W2SD steers latent variables along sampling trajectories toward regions of the real data distribution. W2SD is highly flexible and broadly applicable, enabling diverse improvements through the strategic selection of weak-to-strong model pairs (e.g., DreamShaper vs. SD1.5, good experts vs. bad experts in MoE). Extensive experiments demonstrate that W2SD significantly improves human preference, aesthetic quality, and prompt adherence, achieving SOTA performance across various modalities (e.g., image, video), architectures (e.g., UNet-based, DiT-based, MoE), and benchmarks. For example, Juggernaut-XL with W2SD can improve with the HPSv2 winning rate up to 90% over the original results. Moreover, the performance gains achieved by W2SD markedly outweigh its additional computational overhead, while the cumulative improvements from different weak-to-strong difference further solidify its practical utility and deployability.

We study the problem of uncertainty quantification via prediction sets, in an online setting where the data distribution may vary arbitrarily over time. Recent work develops online conformal prediction techniques that leverage regret minimization algorithms from the online learning literature to learn prediction sets with approximately valid coverage and small regret. However, standard regret minimization could be insufficient for handling changing environments, where performance guarantees may be desired not only over the full time horizon but also in all (sub-)intervals of time. We develop new online conformal prediction methods that minimize the strongly adaptive regret, which measures the worst-case regret over all intervals of a fixed length. We prove that our methods achieve near-optimal strongly adaptive regret for all interval lengths simultaneously, and approximately valid coverage. Experiments show that our methods consistently obtain better coverage and smaller prediction sets than existing methods on real-world tasks, such as time series forecasting and image classification under distribution shift.

This paper addresses a regression problem in which output label values are the results of sensing the magnitude of a phenomenon. A low value of such labels can mean either that the actual magnitude of the phenomenon was low or that the sensor made an incomplete observation. This leads to a bias toward lower values in labels and the resultant learning because labels may have lower values due to incomplete observations, even if the actual magnitude of the phenomenon was high. Moreover, because an incomplete observation does not provide any tags indicating incompleteness, we cannot eliminate or impute them. To address this issue, we propose a learning algorithm that explicitly models incomplete observations corrupted with an asymmetric noise that always has a negative value. We show that our algorithm is unbiased as if it were learned from uncorrupted data that does not involve incomplete observations. We demonstrate the advantages of our algorithm through numerical experiments.

Mixture of experts (MoE) are a popular class of statistical and machine learning models that have gained attention over the years due to their flexibility and efficiency. In this work, we consider Gaussian-gated localized MoE (GLoME) and block-diagonal covariance localized MoE (BLoME) regression models to present nonlinear relationships in heterogeneous data with potential hidden graph-structured interactions between high-dimensional predictors. These models pose difficult statistical estimation and model selection questions, both from a computational and theoretical perspective. This paper is devoted to the study of the problem of model selection among a collection of GLoME or BLoME models characterized by the number of mixture components, the complexity of Gaussian mean experts, and the hidden block-diagonal structures of the covariance matrices, in a penalized maximum likelihood estimation framework. In particular, we establish non-asymptotic risk bounds that take the form of weak oracle inequalities, provided that lower bounds for the penalties hold. The good empirical behavior of our models is then demonstrated on synthetic and real datasets.

We present a novel framework to regularize Neural Radiance Field (NeRF) in a few-shot setting with a geometry-aware consistency regularization. The proposed approach leverages a rendered depth map at unobserved viewpoint to warp sparse input images to the unobserved viewpoint and impose them as pseudo ground truths to facilitate learning of NeRF. By encouraging such geometry-aware consistency at a feature-level instead of using pixel-level reconstruction loss, we regularize the NeRF at semantic and structural levels while allowing for modeling view dependent radiance to account for color variations across viewpoints. We also propose an effective method to filter out erroneous warped solutions, along with training strategies to stabilize training during optimization. We show that our model achieves competitive results compared to state-of-the-art few-shot NeRF models. Project page is available at https://ku-cvlab.github.io/GeCoNeRF/.

This paper studies the challenging problem of estimating causal effects from observational data, in the presence of unobserved confounders. The two-stage least square (TSLS) method and its variants with a standard instrumental variable (IV) are commonly used to eliminate confounding bias, including the bias caused by unobserved confounders, but they rely on the linearity assumption. Besides, the strict condition of unconfounded instruments posed on a standard IV is too strong to be practical. To address these challenging and practical problems of the standard IV method (linearity assumption and the strict condition), in this paper, we use a conditional IV (CIV) to relax the unconfounded instrument condition of standard IV and propose a non-linear CIV regression with Confounding Balancing Representation Learning, CBRL.CIV, for jointly eliminating the confounding bias from unobserved confounders and balancing the observed confounders, without the linearity assumption. We theoretically demonstrate the soundness of CBRL.CIV. Extensive experiments on synthetic and two real-world datasets show the competitive performance of CBRL.CIV against state-of-the-art IV-based estimators and superiority in dealing with the non-linear situation.

Causal effects are usually studied in terms of the means of counterfactual distributions, which may be insufficient in many scenarios. Given a class of densities known up to normalizing constants, we propose to model counterfactual distributions by minimizing kernel Stein discrepancies in a doubly robust manner. This enables the estimation of counterfactuals over large classes of distributions while exploiting the desired double robustness. We present a theoretical analysis of the proposed estimator, providing sufficient conditions for consistency and asymptotic normality, as well as an examination of its empirical performance.

Generalizing deep learning models to unknown target domain distribution with low latency has motivated research into test-time training/adaptation (TTT/TTA). Existing approaches often focus on improving test-time training performance under well-curated target domain data. As figured out in this work, many state-of-the-art methods fail to maintain the performance when the target domain is contaminated with strong out-of-distribution (OOD) data, a.k.a. open-world test-time training (OWTTT). The failure is mainly due to the inability to distinguish strong OOD samples from regular weak OOD samples. To improve the robustness of OWTTT we first develop an adaptive strong OOD pruning which improves the efficacy of the self-training TTT method. We further propose a way to dynamically expand the prototypes to represent strong OOD samples for an improved weak/strong OOD data separation. Finally, we regularize self-training with distribution alignment and the combination yields the state-of-the-art performance on 5 OWTTT benchmarks. The code is available at https://github.com/Yushu-Li/OWTTT.

We perform an effective-theory analysis of forward-backward signal propagation in wide and deep Transformers, i.e., residual neural networks with multi-head self-attention blocks and multilayer perceptron blocks. This analysis suggests particular width scalings of initialization and training hyperparameters for these models. We then take up such suggestions, training Vision and Language Transformers in practical setups.

In this manuscript we consider the problem of generalized linear estimation on Gaussian mixture data with labels given by a single-index model. Our first result is a sharp asymptotic expression for the test and training errors in the high-dimensional regime. Motivated by the recent stream of results on the Gaussian universality of the test and training errors in generalized linear estimation, we ask ourselves the question: "when is a single Gaussian enough to characterize the error?". Our formula allow us to give sharp answers to this question, both in the positive and negative directions. More precisely, we show that the sufficient conditions for Gaussian universality (or lack of thereof) crucially depend on the alignment between the target weights and the means and covariances of the mixture clusters, which we precisely quantify. In the particular case of least-squares interpolation, we prove a strong universality property of the training error, and show it follows a simple, closed-form expression. Finally, we apply our results to real datasets, clarifying some recent discussion in the literature about Gaussian universality of the errors in this context.

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

Can meta-learning discover generic ways of processing time series (TS) from a diverse dataset so as to greatly improve generalization on new TS coming from different datasets? This work provides positive evidence to this using a broad meta-learning framework which we show subsumes many existing meta-learning algorithms. Our theoretical analysis suggests that residual connections act as a meta-learning adaptation mechanism, generating a subset of task-specific parameters based on a given TS input, thus gradually expanding the expressive power of the architecture on-the-fly. The same mechanism is shown via linearization analysis to have the interpretation of a sequential update of the final linear layer. Our empirical results on a wide range of data emphasize the importance of the identified meta-learning mechanisms for successful zero-shot univariate forecasting, suggesting that it is viable to train a neural network on a source TS dataset and deploy it on a different target TS dataset without retraining, resulting in performance that is at least as good as that of state-of-practice univariate forecasting models.

Overparametrization often helps improve the generalization performance. This paper proposes a dual view of overparametrization suggesting that downsampling may also help generalize. Motivated by this dual view, we characterize two out-of-sample prediction risks of the sketched ridgeless least square estimator in the proportional regime masymp n asymp p, where m is the sketching size, n the sample size, and p the feature dimensionality. Our results reveal the statistical role of downsampling. Specifically, downsampling does not always hurt the generalization performance, and may actually help improve it in some cases. We identify the optimal sketching sizes that minimize the out-of-sample prediction risks, and find that the optimally sketched estimator has stabler risk curves that eliminates the peaks of those for the full-sample estimator. We then propose a practical procedure to empirically identify the optimal sketching size. Finally, we extend our results to cover central limit theorems and misspecified models. Numerical studies strongly support our theory.

Spurious correlations that degrade model generalization or lead the model to be right for the wrong reasons are one of the main robustness concerns for real-world deployments. However, mitigating these correlations during pre-training for large-scale models can be costly and impractical, particularly for those without access to high-performance computing resources. This paper proposes a novel approach to address spurious correlations during fine-tuning for a given domain of interest. With a focus on multi-modal models (e.g., CLIP), the proposed method leverages different modalities in these models to detect and explicitly set apart spurious attributes from the affected class, achieved through a multi-modal contrastive loss function that expresses spurious relationships through language. Our experimental results and in-depth visualizations on CLIP show that such an intervention can effectively i) improve the model's accuracy when spurious attributes are not present, and ii) directs the model's activation maps towards the actual class rather than the spurious attribute when present. In particular, on the Waterbirds dataset, our algorithm achieved a worst-group accuracy 23% higher than ERM on CLIP with a ResNet-50 backbone, and 32% higher on CLIP with a ViT backbone, while maintaining the same average accuracy as ERM.

We present ResMLP, an architecture built entirely upon multi-layer perceptrons for image classification. It is a simple residual network that alternates (i) a linear layer in which image patches interact, independently and identically across channels, and (ii) a two-layer feed-forward network in which channels interact independently per patch. When trained with a modern training strategy using heavy data-augmentation and optionally distillation, it attains surprisingly good accuracy/complexity trade-offs on ImageNet. We also train ResMLP models in a self-supervised setup, to further remove priors from employing a labelled dataset. Finally, by adapting our model to machine translation we achieve surprisingly good results. We share pre-trained models and our code based on the Timm library.

Data augmentation is becoming essential for improving regression performance in critical applications including manufacturing, climate prediction, and finance. Existing techniques for data augmentation largely focus on classification tasks and do not readily apply to regression tasks. In particular, the recent Mixup techniques for classification have succeeded in improving the model performance, which is reasonable due to the characteristics of the classification task, but has limitations in regression. We show that mixing examples that have large data distances using linear interpolations may have increasingly-negative effects on model performance. Our key idea is thus to limit the distances between examples that are mixed. We propose RegMix, a data augmentation framework for regression that learns for each example how many nearest neighbors it should be mixed with for the best model performance using a validation set. Our experiments conducted both on synthetic and real datasets show that RegMix outperforms state-of-the-art data augmentation baselines applicable to regression.

We bound the excess risk of interpolating deep linear networks trained using gradient flow. In a setting previously used to establish risk bounds for the minimum ell_2-norm interpolant, we show that randomly initialized deep linear networks can closely approximate or even match known bounds for the minimum ell_2-norm interpolant. Our analysis also reveals that interpolating deep linear models have exactly the same conditional variance as the minimum ell_2-norm solution. Since the noise affects the excess risk only through the conditional variance, this implies that depth does not improve the algorithm's ability to "hide the noise". Our simulations verify that aspects of our bounds reflect typical behavior for simple data distributions. We also find that similar phenomena are seen in simulations with ReLU networks, although the situation there is more nuanced.

In recent years, the development of diffusion models has led to significant progress in image and video generation tasks, with pre-trained models like the Stable Diffusion series playing a crucial role. Inspired by model pruning which lightens large pre-trained models by removing unimportant parameters, we propose a novel model fine-tuning method to make full use of these ineffective parameters and enable the pre-trained model with new task-specified capabilities. In this work, we first investigate the importance of parameters in pre-trained diffusion models, and discover that the smallest 10% to 20% of parameters by absolute values do not contribute to the generation process. Based on this observation, we propose a method termed SaRA that re-utilizes these temporarily ineffective parameters, equating to optimizing a sparse weight matrix to learn the task-specific knowledge. To mitigate overfitting, we propose a nuclear-norm-based low-rank sparse training scheme for efficient fine-tuning. Furthermore, we design a new progressive parameter adjustment strategy to make full use of the re-trained/finetuned parameters. Finally, we propose a novel unstructural backpropagation strategy, which significantly reduces memory costs during fine-tuning. Our method enhances the generative capabilities of pre-trained models in downstream applications and outperforms traditional fine-tuning methods like LoRA in maintaining model's generalization ability. We validate our approach through fine-tuning experiments on SD models, demonstrating significant improvements. SaRA also offers a practical advantage that requires only a single line of code modification for efficient implementation and is seamlessly compatible with existing methods.

While following different technical routes, both low-rank and orthogonal adaptation techniques can efficiently adapt large-scale pre-training models in specific tasks or domains based on a small piece of trainable parameters. In this study, we bridge the gap between these two techniques, proposing a simple but effective adaptation method based on Householder reflections. Given a pre-trained model, our method fine-tunes its layers by multiplying each frozen weight matrix with an orthogonal matrix constructed by a chain of learnable Householder reflections (HRs). This HR-based orthogonal fine-tuning is equivalent to an adaptive low-rank adaptation. Moreover, we show that the orthogonality of the reflection planes corresponding to the HRs impacts the model capacity and regularity. The analysis motivates us to regularize the orthogonality of the HRs, leading to different implementations of the proposed Householder reflection adaptation (HRA) method. Compared with state-of-the-art methods, HRA achieves superior performance with fewer learnable parameters when adapting large language models and conditional image generators. The code is available at https://github.com/DaShenZi721/HRA

Recent work has shown how denoising and contractive autoencoders implicitly capture the structure of the data-generating density, in the case where the corruption noise is Gaussian, the reconstruction error is the squared error, and the data is continuous-valued. This has led to various proposals for sampling from this implicitly learned density function, using Langevin and Metropolis-Hastings MCMC. However, it remained unclear how to connect the training procedure of regularized auto-encoders to the implicit estimation of the underlying data-generating distribution when the data are discrete, or using other forms of corruption process and reconstruction errors. Another issue is the mathematical justification which is only valid in the limit of small corruption noise. We propose here a different attack on the problem, which deals with all these issues: arbitrary (but noisy enough) corruption, arbitrary reconstruction loss (seen as a log-likelihood), handling both discrete and continuous-valued variables, and removing the bias due to non-infinitesimal corruption noise (or non-infinitesimal contractive penalty).

Recently, Visual Autoregressive (VAR) Models introduced a groundbreaking advancement in the field of image generation, offering a scalable approach through a coarse-to-fine "next-scale prediction" paradigm. However, the state-of-the-art algorithm of VAR models in [Tian, Jiang, Yuan, Peng and Wang, NeurIPS 2024] takes O(n^4) time, which is computationally inefficient. In this work, we analyze the computational limits and efficiency criteria of VAR Models through a fine-grained complexity lens. Our key contribution is identifying the conditions under which VAR computations can achieve sub-quadratic time complexity. Specifically, we establish a critical threshold for the norm of input matrices used in VAR attention mechanisms. Above this threshold, assuming the Strong Exponential Time Hypothesis (SETH) from fine-grained complexity theory, a sub-quartic time algorithm for VAR models is impossible. To substantiate our theoretical findings, we present efficient constructions leveraging low-rank approximations that align with the derived criteria. This work initiates the study of the computational efficiency of the VAR model from a theoretical perspective. Our technique will shed light on advancing scalable and efficient image generation in VAR frameworks.

Convolutional neural network training can suffer from diverse issues like exploding or vanishing gradients, scaling-based weight space symmetry and covariant-shift. In order to address these issues, researchers develop weight regularization methods and activation normalization methods. In this work we propose a weight soft-regularization method based on the Oblique manifold. The proposed method uses a loss function which pushes each weight vector to have a norm close to one, i.e. the weight matrix is smoothly steered toward the so-called Oblique manifold. We evaluate our method on the very popular CIFAR-10, CIFAR-100 and ImageNet 2012 datasets using two state-of-the-art architectures, namely the ResNet and wide-ResNet. Our method introduces negligible computational overhead and the results show that it is competitive to the state-of-the-art and in some cases superior to it. Additionally, the results are less sensitive to hyperparameter settings such as batch size and regularization factor.

We study the problem of online generalized linear regression in the stochastic setting, where the label is generated from a generalized linear model with possibly unbounded additive noise. We provide a sharp analysis of the classical follow-the-regularized-leader (FTRL) algorithm to cope with the label noise. More specifically, for sigma-sub-Gaussian label noise, our analysis provides a regret upper bound of O(sigma^2 d log T) + o(log T), where d is the dimension of the input vector, T is the total number of rounds. We also prove a Omega(sigma^2dlog(T/d)) lower bound for stochastic online linear regression, which indicates that our upper bound is nearly optimal. In addition, we extend our analysis to a more refined Bernstein noise condition. As an application, we study generalized linear bandits with heteroscedastic noise and propose an algorithm based on FTRL to achieve the first variance-aware regret bound.

Cross-validation is the de facto standard for predictive model evaluation and selection. In proper use, it provides an unbiased estimate of a model's predictive performance. However, data sets often undergo various forms of data-dependent preprocessing, such as mean-centering, rescaling, dimensionality reduction, and outlier removal. It is often believed that such preprocessing stages, if done in an unsupervised manner (that does not incorporate the class labels or response values) are generally safe to do prior to cross-validation. In this paper, we study three commonly-practiced preprocessing procedures prior to a regression analysis: (i) variance-based feature selection; (ii) grouping of rare categorical features; and (iii) feature rescaling. We demonstrate that unsupervised preprocessing can, in fact, introduce a substantial bias into cross-validation estimates and potentially hurt model selection. This bias may be either positive or negative and its exact magnitude depends on all the parameters of the problem in an intricate manner. Further research is needed to understand the real-world impact of this bias across different application domains, particularly when dealing with small sample sizes and high-dimensional data.

The Invariant Risk Minimization (IRM) principle was first proposed by Arjovsky et al. [2019] to address the domain generalization problem by leveraging data heterogeneity from differing experimental conditions. Specifically, IRM seeks to find a data representation under which an optimal classifier remains invariant across all domains. Despite the conceptual appeal of IRM, the effectiveness of the originally proposed invariance penalty has recently been brought into question. In particular, there exists counterexamples for which that invariance penalty can be arbitrarily small for non-invariant data representations. We propose an alternative invariance penalty by revisiting the Gramian matrix of the data representation. We discuss the role of its eigenvalues in the relationship between the risk and the invariance penalty, and demonstrate that it is ill-conditioned for said counterexamples. The proposed approach is guaranteed to recover an invariant representation for linear settings under mild non-degeneracy conditions. Its effectiveness is substantiated by experiments on DomainBed and InvarianceUnitTest, two extensive test beds for domain generalization.

Detecting deepfakes has become an important task. Most existing detection methods provide only real/fake predictions without offering human-comprehensible explanations. Recent studies leveraging MLLMs for deepfake detection have shown improvements in explainability. However, the performance of pre-trained MLLMs (e.g., LLaVA) remains limited due to a lack of understanding of their capabilities for this task and strategies to enhance them. In this work, we empirically assess the strengths and weaknesses of MLLMs specifically in deepfake detection via forgery features analysis. Building on these assessments, we propose a novel framework called {X}^2-DFD, consisting of three core modules. The first module, Model Feature Assessment (MFA), measures the detection capabilities of forgery features intrinsic to MLLMs, and gives a descending ranking of these features. The second module, Strong Feature Strengthening (SFS), enhances the detection and explanation capabilities by fine-tuning the MLLM on a dataset constructed based on the top-ranked features. The third module, Weak Feature Supplementing (WFS), improves the fine-tuned MLLM's capabilities on lower-ranked features by integrating external dedicated deepfake detectors. To verify the effectiveness of this framework, we further present a practical implementation, where an automated forgery features generation, evaluation, and ranking procedure is designed for MFA module; an automated generation procedure of the fine-tuning dataset containing real and fake images with explanations based on top-ranked features is developed for SFS model; an external conventional deepfake detector focusing on blending artifact, which corresponds to a low detection capability in the pre-trained MLLM, is integrated for WFS module. Experiments show that our approach enhances both detection and explanation performance.

Recent innovations on hardware (e.g. Nvidia A100) have motivated learning N:M structured sparsity masks from scratch for fast model inference. However, state-of-the-art learning recipes in this regime (e.g. SR-STE) are proposed for non-adaptive optimizers like momentum SGD, while incurring non-trivial accuracy drop for Adam-trained models like attention-based LLMs. In this paper, we first demonstrate such gap origins from poorly estimated second moment (i.e. variance) in Adam states given by the masked weights. We conjecture that learning N:M masks with Adam should take the critical regime of variance estimation into account. In light of this, we propose STEP, an Adam-aware recipe that learns N:M masks with two phases: first, STEP calculates a reliable variance estimate (precondition phase) and subsequently, the variance remains fixed and is used as a precondition to learn N:M masks (mask-learning phase). STEP automatically identifies the switching point of two phases by dynamically sampling variance changes over the training trajectory and testing the sample concentration. Empirically, we evaluate STEP and other baselines such as ASP and SR-STE on multiple tasks including CIFAR classification, machine translation and LLM fine-tuning (BERT-Base, GPT-2). We show STEP mitigates the accuracy drop of baseline recipes and is robust to aggressive structured sparsity ratios.

In this paper, we propose a weak regularity principle which is similar to both weak K\"onig's lemma and Ramsey's theorem. We begin by studying the computational strength of this principle in the context of reverse mathematics. We then analyze different ways of generalizing this principle.

Zero-shot models like CLIP are often fine-tuned on a target dataset to improve its accuracy further, but this can compromise out-of-distribution (OOD) robustness. Robust Fine-Tuning (RFT )~wortsman2021robust, which interpolates between the zero-shot and fine-tuned models, has been proposed to address this issue. However, understanding when RFT actually improves OOD error remains limited. In this work, we empirically investigate the robustness of RFT in CLIP models, with a focus on the sharpness of the CLIP model during interpolation. First, we demonstrate that while sharpness may not serve as a reliable indicator for predicting the generalization of modern architectures like CLIP on OOD data, this challenges the conventional belief in the generalization benefits of flat minima in foundation models. However, by examining the role of the straggler layer phenomenon, we show that, unlike overall sharpness, the layer-wise sharpness of straggler layers can reliably capture the generalization performance of interpolated CLIP models on OOD data. Our extensive experiments reveal that layer-wise sharpness correlates with generalization in OOD accuracy for RFT. Furthermore, we demonstrate that by inducing sparsity in the straggler layers, we can mitigate the failure mode phenomenon in RFT. To the best of our knowledge, this is the first work to study the role of sharpness in the success of interpolation in the weight space of CLIP foundation models. Our code is available at https://github.com/alirezaabdollahpour/CLIP_Mode_Connectivity.

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

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

A sample of 60,410 bona fide optical quasars with astrometric proper motions in Gaia EDR3 and spectroscopic redshifts above 0.5 in an oval 8400 square degree area of the sky is constructed. Using orthogonal Zernike functions of polar coordinates, the proper motion fields are fitted in a weighted least-squares adjustment of the entire sample and of six equal bins of sorted redshifts. The overall fit with 37 Zernike functions reveals a statistically significant pattern, which is likely to be of instrumental origin. The main feature of this pattern is a chain of peaks and dips mostly in the R.A. component with an amplitude of 25~muas yr^{-1}. This field is subtracted from each of the six analogous fits for quasars grouped by redshifts covering the range 0.5 through 7.03, with median values 0.72, 1.00, 1.25, 1.52, 1.83, 2.34. The resulting residual patterns are noisier, with formal uncertainties up to 8~muas yr^{-1} in the central part of the area. We detect a single high-confidence Zernike term for R.A. proper motion components of quasars with redshifts around 1.52 representing a general gradient of 30 muas yr^{-1} over 150degr on the sky. We do not find any small- or medium-scale systemic variations of the residual proper motion field as functions of redshift above the 2.5,sigma significance level.

Spurious correlations allow flexible models to predict well during training but poorly on related test distributions. Recent work has shown that models that satisfy particular independencies involving correlation-inducing nuisance variables have guarantees on their test performance. Enforcing such independencies requires nuisances to be observed during training. However, nuisances, such as demographics or image background labels, are often missing. Enforcing independence on just the observed data does not imply independence on the entire population. Here we derive mmd estimators used for invariance objectives under missing nuisances. On simulations and clinical data, optimizing through these estimates achieves test performance similar to using estimators that make use of the full data.

Fine-tuned pre-trained language models (LMs) have achieved enormous success in many natural language processing (NLP) tasks, but they still require excessive labeled data in the fine-tuning stage. We study the problem of fine-tuning pre-trained LMs using only weak supervision, without any labeled data. This problem is challenging because the high capacity of LMs makes them prone to overfitting the noisy labels generated by weak supervision. To address this problem, we develop a contrastive self-training framework, COSINE, to enable fine-tuning LMs with weak supervision. Underpinned by contrastive regularization and confidence-based reweighting, this contrastive self-training framework can gradually improve model fitting while effectively suppressing error propagation. Experiments on sequence, token, and sentence pair classification tasks show that our model outperforms the strongest baseline by large margins on 7 benchmarks in 6 tasks, and achieves competitive performance with fully-supervised fine-tuning methods.

The quality of many modern machine learning models improves as model complexity increases, an effect that has been quantified, for predictive performance, with the non-monotonic double descent learning curve. Here, we address the overarching question: is there an analogous theory of double descent for models which estimate uncertainty? We provide a partially affirmative and partially negative answer in the setting of Gaussian processes (GP). Under standard assumptions, we prove that higher model quality for optimally-tuned GPs (including uncertainty prediction) under marginal likelihood is realized for larger input dimensions, and therefore exhibits a monotone error curve. After showing that marginal likelihood does not naturally exhibit double descent in the input dimension, we highlight related forms of posterior predictive loss that do exhibit non-monotonicity. Finally, we verify empirically that our results hold for real data, beyond our considered assumptions, and we explore consequences involving synthetic covariates.

In this paper, we derive a novel bound on the generalization error of Magnitude-Based pruning of overparameterized neural networks. Our work builds on the bounds in Arora et al. [2018] where the error depends on one, the approximation induced by pruning, and two, the number of parameters in the pruned model, and improves upon standard norm-based generalization bounds. The pruned estimates obtained using our new Magnitude-Based compression algorithm are close to the unpruned functions with high probability, which improves the first criteria. Using Sparse Matrix Sketching, the space of the pruned matrices can be efficiently represented in the space of dense matrices of much smaller dimensions, thereby lowering the second criterion. This leads to stronger generalization bound than many state-of-the-art methods, thereby breaking new ground in the algorithm development for pruning and bounding generalization error of overparameterized models. Beyond this, we extend our results to obtain generalization bound for Iterative Pruning [Frankle and Carbin, 2018]. We empirically verify the success of this new method on ReLU-activated Feed Forward Networks on the MNIST and CIFAR10 datasets.

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.

Representations learned via self-supervised learning (SSL) can be susceptible to dimensional collapse, where the learned representation subspace is of extremely low dimensionality and thus fails to represent the full data distribution and modalities. Dimensional collapse also known as the "underfilling" phenomenon is one of the major causes of degraded performance on downstream tasks. Previous work has investigated the dimensional collapse problem of SSL at a global level. In this paper, we demonstrate that representations can span over high dimensional space globally, but collapse locally. To address this, we propose a method called local dimensionality regularization (LDReg). Our formulation is based on the derivation of the Fisher-Rao metric to compare and optimize local distance distributions at an asymptotically small radius for each data point. By increasing the local intrinsic dimensionality, we demonstrate through a range of experiments that LDReg improves the representation quality of SSL. The results also show that LDReg can regularize dimensionality at both local and global levels.

One of the core pillars of efficient deep learning methods is architectural improvements such as the residual/skip connection, which has led to significantly better model convergence and quality. Since then the residual connection has become ubiquitous in not just convolutional neural networks but also transformer-based architectures, the backbone of LLMs. In this paper we introduce Learned Augmented Residual Layer (LAuReL) -- a novel generalization of the canonical residual connection -- with the goal to be an in-situ replacement of the latter while outperforming on both model quality and footprint metrics. Our experiments show that using \laurel can help boost performance for both vision and language models. For example, on the ResNet-50, ImageNet 1K task, it achieves 60% of the gains from adding an extra layer, while only adding 0.003% more parameters, and matches it while adding 2.6times fewer parameters.

In this paper, we introduce a novel theoretical framework for multi-task regression, applying random matrix theory to provide precise performance estimations, under high-dimensional, non-Gaussian data distributions. We formulate a multi-task optimization problem as a regularization technique to enable single-task models to leverage multi-task learning information. We derive a closed-form solution for multi-task optimization in the context of linear models. Our analysis provides valuable insights by linking the multi-task learning performance to various model statistics such as raw data covariances, signal-generating hyperplanes, noise levels, as well as the size and number of datasets. We finally propose a consistent estimation of training and testing errors, thereby offering a robust foundation for hyperparameter optimization in multi-task regression scenarios. Experimental validations on both synthetic and real-world datasets in regression and multivariate time series forecasting demonstrate improvements on univariate models, incorporating our method into the training loss and thus leveraging multivariate information.

Transformer-based architectures achieved breakthrough performance in natural language processing and computer vision, yet they remain inferior to simpler linear baselines in multivariate long-term forecasting. To better understand this phenomenon, we start by studying a toy linear forecasting problem for which we show that transformers are incapable of converging to their true solution despite their high expressive power. We further identify the attention of transformers as being responsible for this low generalization capacity. Building upon this insight, we propose a shallow lightweight transformer model that successfully escapes bad local minima when optimized with sharpness-aware optimization. We empirically demonstrate that this result extends to all commonly used real-world multivariate time series datasets. In particular, SAMformer surpasses current state-of-the-art methods and is on par with the biggest foundation model MOIRAI while having significantly fewer parameters. The code is available at https://github.com/romilbert/samformer.

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

Learning rate schedules used in practice bear little resemblance to those recommended by theory. We close much of this theory/practice gap, and as a consequence are able to derive new problem-adaptive learning rate schedules. Our key technical contribution is a refined analysis of learning rate schedules for a wide class of optimization algorithms (including SGD). In contrast to most prior works that study the convergence of the average iterate, we study the last iterate, which is what most people use in practice. When considering only worst-case analysis, our theory predicts that the best choice is the linear decay schedule: a popular choice in practice that sets the stepsize proportionally to 1 - t/T, where t is the current iteration and T is the total number of steps. To go beyond this worst-case analysis, we use the observed gradient norms to derive schedules refined for any particular task. These refined schedules exhibit learning rate warm-up and rapid learning rate annealing near the end of training. Ours is the first systematic approach to automatically yield both of these properties. We perform the most comprehensive evaluation of learning rate schedules to date, evaluating across 10 diverse deep learning problems, a series of LLMs, and a suite of logistic regression problems. We validate that overall, the linear-decay schedule matches or outperforms all commonly used default schedules including cosine annealing, and that our schedule refinement method gives further improvements.

Addressing imbalanced or long-tailed data is a major challenge in visual recognition tasks due to disparities between training and testing distributions and issues with data noise. We propose the Wrapped Cauchy Distributed Angular Softmax (WCDAS), a novel softmax function that incorporates data-wise Gaussian-based kernels into the angular correlation between feature representations and classifier weights, effectively mitigating noise and sparse sampling concerns. The class-wise distribution of angular representation becomes a sum of these kernels. Our theoretical analysis reveals that the wrapped Cauchy distribution excels the Gaussian distribution in approximating mixed distributions. Additionally, WCDAS uses trainable concentration parameters to dynamically adjust the compactness and margin of each class. Empirical results confirm label-aware behavior in these parameters and demonstrate WCDAS's superiority over other state-of-the-art softmax-based methods in handling long-tailed visual recognition across multiple benchmark datasets. The code is public available.

Representing features at multiple scales is of great importance for numerous vision tasks. Recent advances in backbone convolutional neural networks (CNNs) continually demonstrate stronger multi-scale representation ability, leading to consistent performance gains on a wide range of applications. However, most existing methods represent the multi-scale features in a layer-wise manner. In this paper, we propose a novel building block for CNNs, namely Res2Net, by constructing hierarchical residual-like connections within one single residual block. The Res2Net represents multi-scale features at a granular level and increases the range of receptive fields for each network layer. The proposed Res2Net block can be plugged into the state-of-the-art backbone CNN models, e.g., ResNet, ResNeXt, and DLA. We evaluate the Res2Net block on all these models and demonstrate consistent performance gains over baseline models on widely-used datasets, e.g., CIFAR-100 and ImageNet. Further ablation studies and experimental results on representative computer vision tasks, i.e., object detection, class activation mapping, and salient object detection, further verify the superiority of the Res2Net over the state-of-the-art baseline methods. The source code and trained models are available on https://mmcheng.net/res2net/.

Despite the widespread empirical success of ResNet, the generalization properties of deep ResNet are rarely explored beyond the lazy training regime. In this work, we investigate scaled ResNet in the limit of infinitely deep and wide neural networks, of which the gradient flow is described by a partial differential equation in the large-neural network limit, i.e., the mean-field regime. To derive the generalization bounds under this setting, our analysis necessitates a shift from the conventional time-invariant Gram matrix employed in the lazy training regime to a time-variant, distribution-dependent version. To this end, we provide a global lower bound on the minimum eigenvalue of the Gram matrix under the mean-field regime. Besides, for the traceability of the dynamic of Kullback-Leibler (KL) divergence, we establish the linear convergence of the empirical error and estimate the upper bound of the KL divergence over parameters distribution. Finally, we build the uniform convergence for generalization bound via Rademacher complexity. Our results offer new insights into the generalization ability of deep ResNet beyond the lazy training regime and contribute to advancing the understanding of the fundamental properties of deep neural networks.

Medical coding is the task of assigning medical codes to clinical free-text documentation. Healthcare professionals manually assign such codes to track patient diagnoses and treatments. Automated medical coding can considerably alleviate this administrative burden. In this paper, we reproduce, compare, and analyze state-of-the-art automated medical coding machine learning models. We show that several models underperform due to weak configurations, poorly sampled train-test splits, and insufficient evaluation. In previous work, the macro F1 score has been calculated sub-optimally, and our correction doubles it. We contribute a revised model comparison using stratified sampling and identical experimental setups, including hyperparameters and decision boundary tuning. We analyze prediction errors to validate and falsify assumptions of previous works. The analysis confirms that all models struggle with rare codes, while long documents only have a negligible impact. Finally, we present the first comprehensive results on the newly released MIMIC-IV dataset using the reproduced models. We release our code, model parameters, and new MIMIC-III and MIMIC-IV training and evaluation pipelines to accommodate fair future comparisons.

The capability of video super-resolution (VSR) to synthesize high-resolution (HR) video from ideal datasets has been demonstrated in many works. However, applying the VSR model to real-world video with unknown and complex degradation remains a challenging task. First, existing degradation metrics in most VSR methods are not able to effectively simulate real-world noise and blur. On the contrary, simple combinations of classical degradation are used for real-world noise modeling, which led to the VSR model often being violated by out-of-distribution noise. Second, many SR models focus on noise simulation and transfer. Nevertheless, the sampled noise is monotonous and limited. To address the aforementioned problems, we propose a Negatives augmentation strategy for generalized noise modeling in Video Super-Resolution (NegVSR) task. Specifically, we first propose sequential noise generation toward real-world data to extract practical noise sequences. Then, the degeneration domain is widely expanded by negative augmentation to build up various yet challenging real-world noise sets. We further propose the augmented negative guidance loss to learn robust features among augmented negatives effectively. Extensive experiments on real-world datasets (e.g., VideoLQ and FLIR) show that our method outperforms state-of-the-art methods with clear margins, especially in visual quality.

We describe a novel attribution method which is grounded in Sensitivity Analysis and uses Sobol indices. Beyond modeling the individual contributions of image regions, Sobol indices provide an efficient way to capture higher-order interactions between image regions and their contributions to a neural network's prediction through the lens of variance. We describe an approach that makes the computation of these indices efficient for high-dimensional problems by using perturbation masks coupled with efficient estimators to handle the high dimensionality of images. Importantly, we show that the proposed method leads to favorable scores on standard benchmarks for vision (and language models) while drastically reducing the computing time compared to other black-box methods -- even surpassing the accuracy of state-of-the-art white-box methods which require access to internal representations. Our code is freely available: https://github.com/fel-thomas/Sobol-Attribution-Method

Parameter-efficient fine-tuning (PEFT) methods seek to adapt large models via updates to a small number of weights. However, much prior interpretability work has shown that representations encode rich semantic information, suggesting that editing representations might be a more powerful alternative. Here, we pursue this hypothesis by developing a family of Representation Finetuning (ReFT) methods. ReFT methods operate on a frozen base model and learn task-specific interventions on hidden representations. We define a strong instance of the ReFT family, Low-rank Linear Subspace ReFT (LoReFT). LoReFT is a drop-in replacement for existing PEFTs and learns interventions that are 10x-50x more parameter-efficient than prior state-of-the-art PEFTs. We showcase LoReFT on eight commonsense reasoning tasks, four arithmetic reasoning tasks, Alpaca-Eval v1.0, and GLUE. In all these evaluations, LoReFT delivers the best balance of efficiency and performance, and almost always outperforms state-of-the-art PEFTs. We release a generic ReFT training library publicly at https://github.com/stanfordnlp/pyreft.

We propose a penalized nonparametric approach to estimating the quantile regression process (QRP) in a nonseparable model using rectifier quadratic unit (ReQU) activated deep neural networks and introduce a novel penalty function to enforce non-crossing of quantile regression curves. We establish the non-asymptotic excess risk bounds for the estimated QRP and derive the mean integrated squared error for the estimated QRP under mild smoothness and regularity conditions. To establish these non-asymptotic risk and estimation error bounds, we also develop a new error bound for approximating C^s smooth functions with s >0 and their derivatives using ReQU activated neural networks. This is a new approximation result for ReQU networks and is of independent interest and may be useful in other problems. Our numerical experiments demonstrate that the proposed method is competitive with or outperforms two existing methods, including methods using reproducing kernels and random forests, for nonparametric quantile regression.

Deep learning has been wildly successful in practice and most state-of-the-art machine learning methods are based on neural networks. Lacking, however, is a rigorous mathematical theory that adequately explains the amazing performance of deep neural networks. In this article, we present a relatively new mathematical framework that provides the beginning of a deeper understanding of deep learning. This framework precisely characterizes the functional properties of neural networks that are trained to fit to data. The key mathematical tools which support this framework include transform-domain sparse regularization, the Radon transform of computed tomography, and approximation theory, which are all techniques deeply rooted in signal processing. This framework explains the effect of weight decay regularization in neural network training, the use of skip connections and low-rank weight matrices in network architectures, the role of sparsity in neural networks, and explains why neural networks can perform well in high-dimensional problems.

This study introduces PV-RNN, a novel variational RNN inspired by the predictive-coding ideas. The model learns to extract the probabilistic structures hidden in fluctuating temporal patterns by dynamically changing the stochasticity of its latent states. Its architecture attempts to address two major concerns of variational Bayes RNNs: how can latent variables learn meaningful representations and how can the inference model transfer future observations to the latent variables. PV-RNN does both by introducing adaptive vectors mirroring the training data, whose values can then be adapted differently during evaluation. Moreover, prediction errors during backpropagation, rather than external inputs during the forward computation, are used to convey information to the network about the external data. For testing, we introduce error regression for predicting unseen sequences as inspired by predictive coding that leverages those mechanisms. The model introduces a weighting parameter, the meta-prior, to balance the optimization pressure placed on two terms of a lower bound on the marginal likelihood of the sequential data. We test the model on two datasets with probabilistic structures and show that with high values of the meta-prior the network develops deterministic chaos through which the data's randomness is imitated. For low values, the model behaves as a random process. The network performs best on intermediate values, and is able to capture the latent probabilistic structure with good generalization. Analyzing the meta-prior's impact on the network allows to precisely study the theoretical value and practical benefits of incorporating stochastic dynamics in our model. We demonstrate better prediction performance on a robot imitation task with our model using error regression compared to a standard variational Bayes model lacking such a procedure.

Very deep convolutional networks with hundreds of layers have led to significant reductions in error on competitive benchmarks. Although the unmatched expressiveness of the many layers can be highly desirable at test time, training very deep networks comes with its own set of challenges. The gradients can vanish, the forward flow often diminishes, and the training time can be painfully slow. To address these problems, we propose stochastic depth, a training procedure that enables the seemingly contradictory setup to train short networks and use deep networks at test time. We start with very deep networks but during training, for each mini-batch, randomly drop a subset of layers and bypass them with the identity function. This simple approach complements the recent success of residual networks. It reduces training time substantially and improves the test error significantly on almost all data sets that we used for evaluation. With stochastic depth we can increase the depth of residual networks even beyond 1200 layers and still yield meaningful improvements in test error (4.91% on CIFAR-10).

We propose a deep learning methodology for multivariate regression that is based on pattern recognition that triggers fast learning over sensor data. We used a conversion of sensors-to-image which enables us to take advantage of Computer Vision architectures and training processes. In addition to this data preparation methodology, we explore the use of state-of-the-art architectures to generate regression outputs to predict agricultural crop continuous yield information. Finally, we compare with some of the top models reported in MLCAS2021. We found that using a straightforward training process, we were able to accomplish an MAE of 4.394, RMSE of 5.945, and R^2 of 0.861.

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

High demand for computation resources severely hinders deployment of large-scale Deep Neural Networks (DNN) in resource constrained devices. In this work, we propose a Structured Sparsity Learning (SSL) method to regularize the structures (i.e., filters, channels, filter shapes, and layer depth) of DNNs. SSL can: (1) learn a compact structure from a bigger DNN to reduce computation cost; (2) obtain a hardware-friendly structured sparsity of DNN to efficiently accelerate the DNNs evaluation. Experimental results show that SSL achieves on average 5.1x and 3.1x speedups of convolutional layer computation of AlexNet against CPU and GPU, respectively, with off-the-shelf libraries. These speedups are about twice speedups of non-structured sparsity; (3) regularize the DNN structure to improve classification accuracy. The results show that for CIFAR-10, regularization on layer depth can reduce 20 layers of a Deep Residual Network (ResNet) to 18 layers while improve the accuracy from 91.25% to 92.60%, which is still slightly higher than that of original ResNet with 32 layers. For AlexNet, structure regularization by SSL also reduces the error by around ~1%. Open source code is in https://github.com/wenwei202/caffe/tree/scnn

Recent works have explored the use of weight sparsity to improve the training efficiency (test accuracy w.r.t training FLOPs) of deep neural networks (DNNs). These works aim to reduce training FLOPs but training with sparse weights often leads to accuracy loss or requires longer training schedules, making the resulting training efficiency less clear. In contrast, we focus on using sparsity to increase accuracy while using the same FLOPs as the dense model and show training efficiency gains through higher accuracy. In this work, we introduce Sparse-IFT, a family of Sparse Iso-FLOP Transformations which are used as drop-in replacements for dense layers to improve their representational capacity and FLOP efficiency. Each transformation is parameterized by a single hyperparameter (sparsity level) and provides a larger search space to find optimal sparse masks. Without changing any training hyperparameters, replacing dense layers with Sparse-IFT leads to significant improvements across computer vision (CV) and natural language processing (NLP) tasks, including ResNet-18 on ImageNet (+3.5%) and GPT-3 Small on WikiText-103 (-0.4 PPL), both matching larger dense model variants that use 2x or more FLOPs. To our knowledge, this is the first work to demonstrate the use of sparsity for improving the accuracy of dense models via a simple-to-use set of sparse transformations. Code is available at: https://github.com/CerebrasResearch/Sparse-IFT.

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.

In this article, we study the consistency of the template estimation with the Fr\'echet mean in quotient spaces. The Fr\'echet mean in quotient spaces is often used when the observations are deformed or transformed by a group action. We show that in most cases this estimator is actually inconsistent. We exhibit a sufficient condition for this inconsistency, which amounts to the folding of the distribution of the noisy template when it is projected to the quotient space. This condition appears to be fulfilled as soon as the support of the noise is large enough. To quantify this inconsistency we provide lower and upper bounds of the bias as a function of the variability (the noise level). This shows that the consistency bias cannot be neglected when the variability increases.

There exists recent work in computer vision, named VAR, that proposes a new autoregressive paradigm for image generation. Diverging from the vanilla next-token prediction, VAR structurally reformulates the image generation into a coarse to fine next-scale prediction. In this paper, we show that this scale-wise autoregressive framework can be effectively decoupled into intra-scale modeling, which captures local spatial dependencies within each scale, and inter-scale modeling, which models cross-scale relationships progressively from coarse-to-fine scales. This decoupling structure allows to rebuild VAR in a more computationally efficient manner. Specifically, for intra-scale modeling -- crucial for generating high-fidelity images -- we retain the original bidirectional self-attention design to ensure comprehensive modeling; for inter-scale modeling, which semantically connects different scales but is computationally intensive, we apply linear-complexity mechanisms like Mamba to substantially reduce computational overhead. We term this new framework M-VAR. Extensive experiments demonstrate that our method outperforms existing models in both image quality and generation speed. For example, our 1.5B model, with fewer parameters and faster inference speed, outperforms the largest VAR-d30-2B. Moreover, our largest model M-VAR-d32 impressively registers 1.78 FID on ImageNet 256times256 and outperforms the prior-art autoregressive models LlamaGen/VAR by 0.4/0.19 and popular diffusion models LDM/DiT by 1.82/0.49, respectively. Code is avaiable at https://github.com/OliverRensu/MVAR.

Recurrent models are a popular choice for video enhancement tasks such as video denoising or super-resolution. In this work, we focus on their stability as dynamical systems and show that they tend to fail catastrophically at inference time on long video sequences. To address this issue, we (1) introduce a diagnostic tool which produces input sequences optimized to trigger instabilities and that can be interpreted as visualizations of temporal receptive fields, and (2) propose two approaches to enforce the stability of a model during training: constraining the spectral norm or constraining the stable rank of its convolutional layers. We then introduce Stable Rank Normalization for Convolutional layers (SRN-C), a new algorithm that enforces these constraints. Our experimental results suggest that SRN-C successfully enforces stability in recurrent video processing models without a significant performance loss.

Parameter-efficient fine-tuning optimizes large, pre-trained foundation models by updating a subset of parameters; in this class, Low-Rank Adaptation (LoRA) is particularly effective. Inspired by an effort to investigate the different roles of LoRA matrices during fine-tuning, this paper characterizes and leverages unexpected asymmetry in the importance of low-rank adapter matrices. Specifically, when updating the parameter matrices of a neural network by adding a product BA, we observe that the B and A matrices have distinct functions: A extracts features from the input, while B uses these features to create the desired output. Based on this observation, we demonstrate that fine-tuning B is inherently more effective than fine-tuning A, and that a random untrained A should perform nearly as well as a fine-tuned one. Using an information-theoretic lens, we also bound the generalization of low-rank adapters, showing that the parameter savings of exclusively training B improves the bound. We support our conclusions with experiments on RoBERTa, BART-Large, LLaMA-2, and ViTs.

Large pre-trained, zero-shot capable models have shown considerable success both for standard transfer and adaptation tasks, with particular robustness towards distribution shifts. In addition, subsequent fine-tuning can considerably improve performance on a selected downstream task. However, through naive fine-tuning, these zero-shot models lose their generalizability and robustness towards distribution shifts. This is a particular problem for tasks such as Continual Learning (CL), where continuous adaptation has to be performed as new task distributions are introduced sequentially. In this work, we showcase that where fine-tuning falls short to adapt such zero-shot capable models, simple momentum-based weight interpolation can provide consistent improvements for CL tasks in both memory-free and memory-based settings. In particular, we find improvements of over +4% on standard CL benchmarks, while reducing the error to the upper limit of jointly training on all tasks at once in parts by more than half, allowing the continual learner to inch closer to the joint training limits.

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

We develop a fast, tractable technique called Net-Trim for simplifying a trained neural network. The method is a convex post-processing module, which prunes (sparsifies) a trained network layer by layer, while preserving the internal responses. We present a comprehensive analysis of Net-Trim from both the algorithmic and sample complexity standpoints, centered on a fast, scalable convex optimization program. Our analysis includes consistency results between the initial and retrained models before and after Net-Trim application and guarantees on the number of training samples needed to discover a network that can be expressed using a certain number of nonzero terms. Specifically, if there is a set of weights that uses at most s terms that can re-create the layer outputs from the layer inputs, we can find these weights from O(slog N/s) samples, where N is the input size. These theoretical results are similar to those for sparse regression using the Lasso, and our analysis uses some of the same recently-developed tools (namely recent results on the concentration of measure and convex analysis). Finally, we propose an algorithmic framework based on the alternating direction method of multipliers (ADMM), which allows a fast and simple implementation of Net-Trim for network pruning and compression.

Score-based generative modeling, informally referred to as diffusion models, continue to grow in popularity across several important domains and tasks. While they provide high-quality and diverse samples from empirical distributions, important questions remain on the reliability and trustworthiness of these sampling procedures for their responsible use in critical scenarios. Conformal prediction is a modern tool to construct finite-sample, distribution-free uncertainty guarantees for any black-box predictor. In this work, we focus on image-to-image regression tasks and we present a generalization of the Risk-Controlling Prediction Sets (RCPS) procedure, that we term K-RCPS, which allows to (i) provide entrywise calibrated intervals for future samples of any diffusion model, and (ii) control a certain notion of risk with respect to a ground truth image with minimal mean interval length. Differently from existing conformal risk control procedures, ours relies on a novel convex optimization approach that allows for multidimensional risk control while provably minimizing the mean interval length. We illustrate our approach on two real-world image denoising problems: on natural images of faces as well as on computed tomography (CT) scans of the abdomen, demonstrating state of the art performance.

Given a matrix Ain R^{ntimes d} and a vector bin R^n, we consider the regression problem with ell_infty guarantees: finding a vector x'in R^d such that |x'-x^*|_infty leq epsilon{d}cdot |Ax^*-b|_2cdot |A^dagger| where x^*=argmin_{xin R^d}|Ax-b|_2. One popular approach for solving such ell_2 regression problem is via sketching: picking a structured random matrix Sin R^{mtimes n} with mll n and SA can be quickly computed, solve the ``sketched'' regression problem argmin_{xin R^d} |SAx-Sb|_2. In this paper, we show that in order to obtain such ell_infty guarantee for ell_2 regression, one has to use sketching matrices that are dense. To the best of our knowledge, this is the first user case in which dense sketching matrices are necessary. On the algorithmic side, we prove that there exists a distribution of dense sketching matrices with m=epsilon^{-2}dlog^3(n/delta) such that solving the sketched regression problem gives the ell_infty guarantee, with probability at least 1-delta. Moreover, the matrix SA can be computed in time O(ndlog n). Our row count is nearly-optimal up to logarithmic factors, and significantly improves the result in [Price, Song and Woodruff, ICALP'17], in which a super-linear in d rows, m=Omega(epsilon^{-2}d^{1+gamma}) for gamma=Theta(frac{loglog n{log d}}) is required. We also develop a novel analytical framework for ell_infty guarantee regression that utilizes the Oblivious Coordinate-wise Embedding (OCE) property introduced in [Song and Yu, ICML'21]. Our analysis is arguably much simpler and more general than [Price, Song and Woodruff, ICALP'17], and it extends to dense sketches for tensor product of vectors.

Recent studies suggest that with sufficiently wide models, most SGD solutions can, up to permutation, converge into the same basin. This phenomenon, known as the model re-basin regime, has significant implications for model averaging by ensuring the linear mode connectivity. However, current re-basin strategies are ineffective in many scenarios due to a lack of comprehensive understanding of underlying mechanisms. Addressing this gap, this paper provides novel insights into understanding and improving the standard practice. Firstly, we decompose re-normalization into rescaling and reshift, uncovering that rescaling plays a crucial role in re-normalization while re-basin performance is sensitive to shifts in model activation. The finding calls for a more nuanced handling of the activation shift. Secondly, we identify that the merged model suffers from the issue of activation collapse and magnitude collapse. Varying the learning rate, weight decay, and initialization method can mitigate the issues and improve model performance. Lastly, we propose a new perspective to unify the re-basin and pruning, under which a lightweight yet effective post-pruning technique is derived, which can significantly improve the model performance after pruning. Our implementation is available at https://github.com/XingyuQu/rethink-re-basin.

Many social and environmental phenomena are associated with macroscopic changes in the built environment, captured by satellite imagery on a global scale and with daily temporal resolution. While widely used for prediction, these images and especially image sequences remain underutilized for causal inference, especially in the context of randomized controlled trials (RCTs), where causal identification is established by design. In this paper, we develop and compare a set of general tools for analyzing Conditional Average Treatment Effects (CATEs) from temporal satellite data that can be applied to any RCT where geographical identifiers are available. Through a simulation study, we analyze different modeling strategies for estimating CATE in sequences of satellite images. We find that image sequence representation models with more parameters generally yield a greater ability to detect heterogeneity. To explore the role of model and data choice in practice, we apply the approaches to two influential RCTs -- Banerjee et al. (2015), a poverty study in Cusco, Peru, and Bolsen et al. (2014), a water conservation experiment in Georgia, USA. We benchmark our image sequence models against image-only, tabular-only, and combined image-tabular data sources, summarizing practical implications for investigators in a multivariate analysis. Land cover classifications over satellite images facilitate interpretation of what image features drive heterogeneity. We also show robustness to data and model choice of satellite-based generalization of the RCT results to larger geographical areas outside the original. Overall, this paper shows how satellite sequence data can be incorporated into the analysis of RCTs, and provides evidence about the implications of data, model, and evaluation metric choice for causal analysis.

Layer-sequential unit-variance (LSUV) initialization - a simple method for weight initialization for deep net learning - is proposed. The method consists of the two steps. First, pre-initialize weights of each convolution or inner-product layer with orthonormal matrices. Second, proceed from the first to the final layer, normalizing the variance of the output of each layer to be equal to one. Experiment with different activation functions (maxout, ReLU-family, tanh) show that the proposed initialization leads to learning of very deep nets that (i) produces networks with test accuracy better or equal to standard methods and (ii) is at least as fast as the complex schemes proposed specifically for very deep nets such as FitNets (Romero et al. (2015)) and Highway (Srivastava et al. (2015)). Performance is evaluated on GoogLeNet, CaffeNet, FitNets and Residual nets and the state-of-the-art, or very close to it, is achieved on the MNIST, CIFAR-10/100 and ImageNet datasets.

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

In this study, we propose Feature-aligned N-BEATS as a domain generalization model for univariate time series forecasting problems. The proposed model is an extension of the doubly residual stacking architecture of N-BEATS (Oreshkin et al. [34]) into a representation learning framework. The model is a new structure that involves marginal feature probability measures (i.e., pushforward measures of multiple source domains) induced by the intricate composition of residual operators of N-BEATS in each stack and aligns them stack-wise via an entropic regularized Wasserstein distance referred to as the Sinkhorn divergence (Genevay et al. [14]). The loss function consists of a typical forecasting loss for multiple source domains and an alignment loss calculated with the Sinkhorn divergence, which allows the model to learn invariant features stack-wise across multiple source data sequences while retaining N-BEATS's interpretable design. We conduct a comprehensive experimental evaluation of the proposed approach and the results demonstrate the model's forecasting and generalization capabilities in comparison with methods based on the original N-BEATS.

We introduce a novel machine learning model for credit risk by combining tree-boosting with a latent spatio-temporal Gaussian process model accounting for frailty correlation. This allows for modeling non-linearities and interactions among predictor variables in a flexible data-driven manner and for accounting for spatio-temporal variation that is not explained by observable predictor variables. We also show how estimation and prediction can be done in a computationally efficient manner. In an application to a large U.S. mortgage credit risk data set, we find that both predictive default probabilities for individual loans and predictive loan portfolio loss distributions obtained with our novel approach are more accurate compared to conventional independent linear hazard models and also linear spatio-temporal models. Using interpretability tools for machine learning models, we find that the likely reasons for this outperformance are strong interaction and non-linear effects in the predictor variables and the presence of large spatio-temporal frailty effects.

Deep learning models are challenged by the distribution shift between the training data and test data. Recently, the large models pre-trained on diverse data have demonstrated unprecedented robustness to various distribution shifts. However, fine-tuning these models can lead to a trade-off between in-distribution (ID) performance and out-of-distribution (OOD) robustness. Existing methods for tackling this trade-off do not explicitly address the OOD robustness problem. In this paper, based on causal analysis of the aforementioned problems, we propose a novel fine-tuning method, which uses masked images as counterfactual samples that help improve the robustness of the fine-tuning model. Specifically, we mask either the semantics-related or semantics-unrelated patches of the images based on class activation map to break the spurious correlation, and refill the masked patches with patches from other images. The resulting counterfactual samples are used in feature-based distillation with the pre-trained model. Extensive experiments verify that regularizing the fine-tuning with the proposed masked images can achieve a better trade-off between ID and OOD performance, surpassing previous methods on the OOD performance. Our code is available at https://github.com/Coxy7/robust-finetuning.

Real-world data tends to follow a long-tailed distribution, where the class imbalance results in dominance of the head classes during training. In this paper, we propose a frustratingly simple but effective step-wise learning framework to gradually enhance the capability of the model in detecting all categories of long-tailed datasets. Specifically, we build smooth-tail data where the long-tailed distribution of categories decays smoothly to correct the bias towards head classes. We pre-train a model on the whole long-tailed data to preserve discriminability between all categories. We then fine-tune the class-agnostic modules of the pre-trained model on the head class dominant replay data to get a head class expert model with improved decision boundaries from all categories. Finally, we train a unified model on the tail class dominant replay data while transferring knowledge from the head class expert model to ensure accurate detection of all categories. Extensive experiments on long-tailed datasets LVIS v0.5 and LVIS v1.0 demonstrate the superior performance of our method, where we can improve the AP with ResNet-50 backbone from 27.0% to 30.3% AP, and especially for the rare categories from 15.5% to 24.9% AP. Our best model using ResNet-101 backbone can achieve 30.7% AP, which suppresses all existing detectors using the same backbone.

Proximal causal learning is a promising framework for identifying the causal effect under the existence of unmeasured confounders. Within this framework, the doubly robust (DR) estimator was derived and has shown its effectiveness in estimation, especially when the model assumption is violated. However, the current form of the DR estimator is restricted to binary treatments, while the treatment can be continuous in many real-world applications. The primary obstacle to continuous treatments resides in the delta function present in the original DR estimator, making it infeasible in causal effect estimation and introducing a heavy computational burden in nuisance function estimation. To address these challenges, we propose a kernel-based DR estimator that can well handle continuous treatments. Equipped with its smoothness, we show that its oracle form is a consistent approximation of the influence function. Further, we propose a new approach to efficiently solve the nuisance functions. We then provide a comprehensive convergence analysis in terms of the mean square error. We demonstrate the utility of our estimator on synthetic datasets and real-world applications.

Pseudo-relevance feedback (PRF) has proven to be an effective query reformulation technique to improve retrieval accuracy. It aims to alleviate the mismatch of linguistic expressions between a query and its potential relevant documents. Existing PRF methods independently treat revised queries originating from the same query but using different numbers of feedback documents, resulting in severe query drift. Without comparing the effects of two different revisions from the same query, a PRF model may incorrectly focus on the additional irrelevant information increased in the more feedback, and thus reformulate a query that is less effective than the revision using the less feedback. Ideally, if a PRF model can distinguish between irrelevant and relevant information in the feedback, the more feedback documents there are, the better the revised query will be. To bridge this gap, we propose the Loss-over-Loss (LoL) framework to compare the reformulation losses between different revisions of the same query during training. Concretely, we revise an original query multiple times in parallel using different amounts of feedback and compute their reformulation losses. Then, we introduce an additional regularization loss on these reformulation losses to penalize revisions that use more feedback but gain larger losses. With such comparative regularization, the PRF model is expected to learn to suppress the extra increased irrelevant information by comparing the effects of different revised queries. Further, we present a differentiable query reformulation method to implement this framework. This method revises queries in the vector space and directly optimizes the retrieval performance of query vectors, applicable for both sparse and dense retrieval models. Empirical evaluation demonstrates the effectiveness and robustness of our method for two typical sparse and dense retrieval models.

Recent advancements in the text-to-3D task leverage finetuned text-to-image diffusion models to generate multi-view images, followed by NeRF reconstruction. Yet, existing supervised finetuned (SFT) diffusion models still suffer from multi-view inconsistency and the resulting NeRF artifacts. Although training longer with SFT improves consistency, it also causes distribution shift, which reduces diversity and realistic details. We argue that the SFT of multi-view diffusion models resembles the instruction finetuning stage of the LLM alignment pipeline and can benefit from RL finetuning (RLFT) methods. Essentially, RLFT methods optimize models beyond their SFT data distribution by using their own outputs, effectively mitigating distribution shift. To this end, we introduce Carve3D, a RLFT method coupled with the Multi-view Reconstruction Consistency (MRC) metric, to improve the consistency of multi-view diffusion models. To compute MRC on a set of multi-view images, we compare them with their corresponding renderings of the reconstructed NeRF at the same viewpoints. We validate the robustness of MRC with extensive experiments conducted under controlled inconsistency levels. We enhance the base RLFT algorithm to stabilize the training process, reduce distribution shift, and identify scaling laws. Through qualitative and quantitative experiments, along with a user study, we demonstrate Carve3D's improved multi-view consistency, the resulting superior NeRF reconstruction quality, and minimal distribution shift compared to longer SFT. Project webpage: https://desaixie.github.io/carve-3d.

The outstanding performance of Large Multimodal Models (LMMs) has made them widely applied in vision-related tasks. However, various corruptions in the real world mean that images will not be as ideal as in simulations, presenting significant challenges for the practical application of LMMs. To address this issue, we introduce R-Bench, a benchmark focused on the **Real-world Robustness of LMMs**. Specifically, we: (a) model the complete link from user capture to LMMs reception, comprising 33 corruption dimensions, including 7 steps according to the corruption sequence, and 7 groups based on low-level attributes; (b) collect reference/distorted image dataset before/after corruption, including 2,970 question-answer pairs with human labeling; (c) propose comprehensive evaluation for absolute/relative robustness and benchmark 20 mainstream LMMs. Results show that while LMMs can correctly handle the original reference images, their performance is not stable when faced with distorted images, and there is a significant gap in robustness compared to the human visual system. We hope that R-Bench will inspire improving the robustness of LMMs, **extending them from experimental simulations to the real-world application**. Check https://q-future.github.io/R-Bench for details.

Deep convolutional neural networks perform better on images containing spatially invariant noise (synthetic noise); however, their performance is limited on real-noisy photographs and requires multiple stage network modeling. To advance the practicability of denoising algorithms, this paper proposes a novel single-stage blind real image denoising network (RIDNet) by employing a modular architecture. We use a residual on the residual structure to ease the flow of low-frequency information and apply feature attention to exploit the channel dependencies. Furthermore, the evaluation in terms of quantitative metrics and visual quality on three synthetic and four real noisy datasets against 19 state-of-the-art algorithms demonstrate the superiority of our RIDNet.

Projection maintenance is one of the core data structure tasks. Efficient data structures for projection maintenance have led to recent breakthroughs in many convex programming algorithms. In this work, we further extend this framework to the Kronecker product structure. Given a constraint matrix {sf A} and a positive semi-definite matrix Win R^{ntimes n} with a sparse eigenbasis, we consider the task of maintaining the projection in the form of {sf B}^top({sf B}{sf B}^top)^{-1}{sf B}, where {sf B}={sf A}(Wotimes I) or {sf B}={sf A}(W^{1/2}otimes W^{1/2}). At each iteration, the weight matrix W receives a low rank change and we receive a new vector h. The goal is to maintain the projection matrix and answer the query {sf B}^top({sf B}{sf B}^top)^{-1}{sf B}h with good approximation guarantees. We design a fast dynamic data structure for this task and it is robust against an adaptive adversary. Following the beautiful and pioneering work of [Beimel, Kaplan, Mansour, Nissim, Saranurak and Stemmer, STOC'22], we use tools from differential privacy to reduce the randomness required by the data structure and further improve the running time.

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.

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

Graph autoencoders are efficient at embedding graph-based data sets. Most graph autoencoder architectures have shallow depths which limits their ability to capture meaningful relations between nodes separated by multi-hops. In this paper, we propose Residual Variational Graph Autoencoder, ResVGAE, a deep variational graph autoencoder model with multiple residual modules. We show that our multiple residual modules, a convolutional layer with residual connection, improve the average precision of the graph autoencoders. Experimental results suggest that our proposed model with residual modules outperforms the models without residual modules and achieves similar results when compared with other state-of-the-art methods.

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

The profound accumulation of precipitation during intense rainfall events can markedly degrade the quality of images, leading to the erosion of textural details. Despite the improvements observed in existing learning-based methods specialized for heavy rain removal, it is discerned that a significant proportion of these methods tend to overlook the precise reconstruction of the intricate details. In this work, we introduce a simple dual-stage progressive enhancement network, denoted as DPENet, aiming to achieve effective deraining while preserving the structural accuracy of rain-free images. This approach comprises two key modules, a rain streaks removal network (R^2Net) focusing on accurate rain removal, and a details reconstruction network (DRNet) designed to recover the textural details of rain-free images. Firstly, we introduce a dilated dense residual block (DDRB) within R^2Net, enabling the aggregation of high-level and low-level features. Secondly, an enhanced residual pixel-wise attention block (ERPAB) is integrated into DRNet to facilitate the incorporation of contextual information. To further enhance the fidelity of our approach, we employ a comprehensive loss function that accentuates both the marginal and regional accuracy of rain-free images. Extensive experiments conducted on publicly available benchmarks demonstrates the noteworthy efficiency and effectiveness of our proposed DPENet. The source code and pre-trained models are currently available at https://github.com/chdwyb/DPENet.

As advanced image manipulation techniques emerge, detecting the manipulation becomes increasingly important. Despite the success of recent learning-based approaches for image manipulation detection, they typically require expensive pixel-level annotations to train, while exhibiting degraded performance when testing on images that are differently manipulated compared with training images. To address these limitations, we propose weakly-supervised image manipulation detection, such that only binary image-level labels (authentic or tampered with) are required for training purpose. Such a weakly-supervised setting can leverage more training images and has the potential to adapt quickly to new manipulation techniques. To improve the generalization ability, we propose weakly-supervised self-consistency learning (WSCL) to leverage the weakly annotated images. Specifically, two consistency properties are learned: multi-source consistency (MSC) and inter-patch consistency (IPC). MSC exploits different content-agnostic information and enables cross-source learning via an online pseudo label generation and refinement process. IPC performs global pair-wise patch-patch relationship reasoning to discover a complete region of manipulation. Extensive experiments validate that our WSCL, even though is weakly supervised, exhibits competitive performance compared with fully-supervised counterpart under both in-distribution and out-of-distribution evaluations, as well as reasonable manipulation localization ability.

Neural networks performance has been significantly improved in the last few years, at the cost of an increasing number of floating point operations per second (FLOPs). However, more FLOPs can be an issue when computational resources are limited. As an attempt to solve this problem, pruning filters is a common solution, but most existing pruning methods do not preserve the model accuracy efficiently and therefore require a large number of finetuning epochs. In this paper, we propose an automatic pruning method that learns which neurons to preserve in order to maintain the model accuracy while reducing the FLOPs to a predefined target. To accomplish this task, we introduce a trainable bottleneck that only requires one single epoch with 25.6% (CIFAR-10) or 7.49% (ILSVRC2012) of the dataset to learn which filters to prune. Experiments on various architectures and datasets show that the proposed method can not only preserve the accuracy after pruning but also outperform existing methods after finetuning. We achieve a 52.00% FLOPs reduction on ResNet-50, with a Top-1 accuracy of 47.51% after pruning and a state-of-the-art (SOTA) accuracy of 76.63% after finetuning on ILSVRC2012. Code available at https://github.com/nota-github/autobot_AAAI23.

Deep neural networks exploiting millions of parameters are nowadays the norm in deep learning applications. This is a potential issue because of the great amount of computational resources needed for training, and of the possible loss of generalization performance of overparametrized networks. We propose in this paper a method for learning sparse neural topologies via a regularization technique which identifies non relevant weights and selectively shrinks their norm, while performing a classic update for relevant ones. This technique, which is an improvement of classical weight decay, is based on the definition of a regularization term which can be added to any loss functional regardless of its form, resulting in a unified general framework exploitable in many different contexts. The actual elimination of parameters identified as irrelevant is handled by an iterative pruning algorithm. We tested the proposed technique on different image classification and Natural language generation tasks, obtaining results on par or better then competitors in terms of sparsity and metrics, while achieving strong models compression.

In recent years, multiple notions of algorithmic fairness have arisen. One such notion is individual fairness (IF), which requires that individuals who are similar receive similar treatment. In parallel, matrix estimation (ME) has emerged as a natural paradigm for handling noisy data with missing values. In this work, we connect the two concepts. We show that pre-processing data using ME can improve an algorithm's IF without sacrificing performance. Specifically, we show that using a popular ME method known as singular value thresholding (SVT) to pre-process the data provides a strong IF guarantee under appropriate conditions. We then show that, under analogous conditions, SVT pre-processing also yields estimates that are consistent and approximately minimax optimal. As such, the ME pre-processing step does not, under the stated conditions, increase the prediction error of the base algorithm, i.e., does not impose a fairness-performance trade-off. We verify these results on synthetic and real data.

Despite the success of physics-informed neural networks (PINNs) in approximating partial differential equations (PDEs), PINNs can sometimes fail to converge to the correct solution in problems involving complicated PDEs. This is reflected in several recent studies on characterizing the "failure modes" of PINNs, although a thorough understanding of the connection between PINN failure modes and sampling strategies is missing. In this paper, we provide a novel perspective of failure modes of PINNs by hypothesizing that training PINNs relies on successful "propagation" of solution from initial and/or boundary condition points to interior points. We show that PINNs with poor sampling strategies can get stuck at trivial solutions if there are propagation failures, characterized by highly imbalanced PDE residual fields. To mitigate propagation failures, we propose a novel Retain-Resample-Release sampling (R3) algorithm that can incrementally accumulate collocation points in regions of high PDE residuals with little to no computational overhead. We provide an extension of R3 sampling to respect the principle of causality while solving time-dependent PDEs. We theoretically analyze the behavior of R3 sampling and empirically demonstrate its efficacy and efficiency in comparison with baselines on a variety of PDE problems.

Existing monocular depth estimation methods have achieved excellent robustness in diverse scenes, but they can only retrieve affine-invariant depth, up to an unknown scale and shift. However, in some video-based scenarios such as video depth estimation and 3D scene reconstruction from a video, the unknown scale and shift residing in per-frame prediction may cause the depth inconsistency. To solve this problem, we propose a locally weighted linear regression method to recover the scale and shift with very sparse anchor points, which ensures the scale consistency along consecutive frames. Extensive experiments show that our method can boost the performance of existing state-of-the-art approaches by 50% at most over several zero-shot benchmarks. Besides, we merge over 6.3 million RGBD images to train strong and robust depth models. Our produced ResNet50-backbone model even outperforms the state-of-the-art DPT ViT-Large model. Combining with geometry-based reconstruction methods, we formulate a new dense 3D scene reconstruction pipeline, which benefits from both the scale consistency of sparse points and the robustness of monocular methods. By performing the simple per-frame prediction over a video, the accurate 3D scene shape can be recovered.

The posterior collapse phenomenon in variational autoencoder (VAE), where the variational posterior distribution closely matches the prior distribution, can hinder the quality of the learned latent variables. As a consequence of posterior collapse, the latent variables extracted by the encoder in VAE preserve less information from the input data and thus fail to produce meaningful representations as input to the reconstruction process in the decoder. While this phenomenon has been an actively addressed topic related to VAE performance, the theory for posterior collapse remains underdeveloped, especially beyond the standard VAE. In this work, we advance the theoretical understanding of posterior collapse to two important and prevalent yet less studied classes of VAE: conditional VAE and hierarchical VAE. Specifically, via a non-trivial theoretical analysis of linear conditional VAE and hierarchical VAE with two levels of latent, we prove that the cause of posterior collapses in these models includes the correlation between the input and output of the conditional VAE and the effect of learnable encoder variance in the hierarchical VAE. We empirically validate our theoretical findings for linear conditional and hierarchical VAE and demonstrate that these results are also predictive for non-linear cases with extensive experiments.

Inferring unbiased treatment effects has received widespread attention in the machine learning community. In recent years, our community has proposed numerous solutions in standard settings, high-dimensional treatment settings, and even longitudinal settings. While very diverse, the solution has mostly relied on neural networks for inference and simultaneous correction of assignment bias. New approaches typically build on top of previous approaches by proposing new (or refined) architectures and learning algorithms. However, the end result -- a neural-network-based inference machine -- remains unchallenged. In this paper, we introduce a different type of solution in the longitudinal setting: a closed-form ordinary differential equation (ODE). While we still rely on continuous optimization to learn an ODE, the resulting inference machine is no longer a neural network. Doing so yields several advantages such as interpretability, irregular sampling, and a different set of identification assumptions. Above all, we consider the introduction of a completely new type of solution to be our most important contribution as it may spark entirely new innovations in treatment effects in general. We facilitate this by formulating our contribution as a framework that can transform any ODE discovery method into a treatment effects method.

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

We introduce StreamDiffusion, a real-time diffusion pipeline designed for interactive image generation. Existing diffusion models are adept at creating images from text or image prompts, yet they often fall short in real-time interaction. This limitation becomes particularly evident in scenarios involving continuous input, such as Metaverse, live video streaming, and broadcasting, where high throughput is imperative. To address this, we present a novel approach that transforms the original sequential denoising into the batching denoising process. Stream Batch eliminates the conventional wait-and-interact approach and enables fluid and high throughput streams. To handle the frequency disparity between data input and model throughput, we design a novel input-output queue for parallelizing the streaming process. Moreover, the existing diffusion pipeline uses classifier-free guidance(CFG), which requires additional U-Net computation. To mitigate the redundant computations, we propose a novel residual classifier-free guidance (RCFG) algorithm that reduces the number of negative conditional denoising steps to only one or even zero. Besides, we introduce a stochastic similarity filter(SSF) to optimize power consumption. Our Stream Batch achieves around 1.5x speedup compared to the sequential denoising method at different denoising levels. The proposed RCFG leads to speeds up to 2.05x higher than the conventional CFG. Combining the proposed strategies and existing mature acceleration tools makes the image-to-image generation achieve up-to 91.07fps on one RTX4090, improving the throughputs of AutoPipline developed by Diffusers over 59.56x. Furthermore, our proposed StreamDiffusion also significantly reduces the energy consumption by 2.39x on one RTX3060 and 1.99x on one RTX4090, respectively.

Recent works have shown a reduction from contextual bandits to online regression under a realizability assumption [Foster and Rakhlin, 2020, Foster and Krishnamurthy, 2021]. In this work, we investigate the use of neural networks for such online regression and associated Neural Contextual Bandits (NeuCBs). Using existing results for wide networks, one can readily show a {O}(T) regret for online regression with square loss, which via the reduction implies a {O}(K T^{3/4}) regret for NeuCBs. Departing from this standard approach, we first show a O(log T) regret for online regression with almost convex losses that satisfy QG (Quadratic Growth) condition, a generalization of the PL (Polyak-\L ojasiewicz) condition, and that have a unique minima. Although not directly applicable to wide networks since they do not have unique minima, we show that adding a suitable small random perturbation to the network predictions surprisingly makes the loss satisfy QG with unique minima. Based on such a perturbed prediction, we show a {O}(log T) regret for online regression with both squared loss and KL loss, and subsequently convert these respectively to mathcal{O}(KT) and mathcal{O}(KL^* + K) regret for NeuCB, where L^* is the loss of the best policy. Separately, we also show that existing regret bounds for NeuCBs are Omega(T) or assume i.i.d. contexts, unlike this work. Finally, our experimental results on various datasets demonstrate that our algorithms, especially the one based on KL loss, persistently outperform existing algorithms.

This paper studies distributional model risk in marginal problems, where each marginal measure is assumed to lie in a Wasserstein ball centered at a fixed reference measure with a given radius. Theoretically, we establish several fundamental results including strong duality, finiteness of the proposed Wasserstein distributional model risk, and the existence of an optimizer at each radius. In addition, we show continuity of the Wasserstein distributional model risk as a function of the radius. Using strong duality, we extend the well-known Makarov bounds for the distribution function of the sum of two random variables with given marginals to Wasserstein distributionally robust Markarov bounds. Practically, we illustrate our results on four distinct applications when the sample information comes from multiple data sources and only some marginal reference measures are identified. They are: partial identification of treatment effects; externally valid treatment choice via robust welfare functions; Wasserstein distributionally robust estimation under data combination; and evaluation of the worst aggregate risk measures.

The demand for efficient processing of deep neural networks (DNNs) on embedded devices is a significant challenge limiting their deployment. Exploiting sparsity in the network's feature maps is one of the ways to reduce its inference latency. It is known that unstructured sparsity results in lower accuracy degradation with respect to structured sparsity but the former needs extensive inference engine changes to get latency benefits. To tackle this challenge, we propose a solution to induce semi-structured activation sparsity exploitable through minor runtime modifications. To attain high speedup levels at inference time, we design a sparse training procedure with awareness of the final position of the activations while computing the General Matrix Multiplication (GEMM). We extensively evaluate the proposed solution across various models for image classification and object detection tasks. Remarkably, our approach yields a speed improvement of 1.25 times with a minimal accuracy drop of 1.1% for the ResNet18 model on the ImageNet dataset. Furthermore, when combined with a state-of-the-art structured pruning method, the resulting models provide a good latency-accuracy trade-off, outperforming models that solely employ structured pruning techniques.

Machine learning models often perform poorly on subgroups that are underrepresented in the training data. Yet, little is understood on the variation in mechanisms that cause subpopulation shifts, and how algorithms generalize across such diverse shifts at scale. In this work, we provide a fine-grained analysis of subpopulation shift. We first propose a unified framework that dissects and explains common shifts in subgroups. We then establish a comprehensive benchmark of 20 state-of-the-art algorithms evaluated on 12 real-world datasets in vision, language, and healthcare domains. With results obtained from training over 10,000 models, we reveal intriguing observations for future progress in this space. First, existing algorithms only improve subgroup robustness over certain types of shifts but not others. Moreover, while current algorithms rely on group-annotated validation data for model selection, we find that a simple selection criterion based on worst-class accuracy is surprisingly effective even without any group information. Finally, unlike existing works that solely aim to improve worst-group accuracy (WGA), we demonstrate the fundamental tradeoff between WGA and other important metrics, highlighting the need to carefully choose testing metrics. Code and data are available at: https://github.com/YyzHarry/SubpopBench.

Cosine-similarity is the cosine of the angle between two vectors, or equivalently the dot product between their normalizations. A popular application is to quantify semantic similarity between high-dimensional objects by applying cosine-similarity to a learned low-dimensional feature embedding. This can work better but sometimes also worse than the unnormalized dot-product between embedded vectors in practice. To gain insight into this empirical observation, we study embeddings derived from regularized linear models, where closed-form solutions facilitate analytical insights. We derive analytically how cosine-similarity can yield arbitrary and therefore meaningless `similarities.' For some linear models the similarities are not even unique, while for others they are implicitly controlled by the regularization. We discuss implications beyond linear models: a combination of different regularizations are employed when learning deep models; these have implicit and unintended effects when taking cosine-similarities of the resulting embeddings, rendering results opaque and possibly arbitrary. Based on these insights, we caution against blindly using cosine-similarity and outline alternatives.

Modern machine learning models deployed in the wild can encounter both covariate and semantic shifts, giving rise to the problems of out-of-distribution (OOD) generalization and OOD detection respectively. While both problems have received significant research attention lately, they have been pursued independently. This may not be surprising, since the two tasks have seemingly conflicting goals. This paper provides a new unified approach that is capable of simultaneously generalizing to covariate shifts while robustly detecting semantic shifts. We propose a margin-based learning framework that exploits freely available unlabeled data in the wild that captures the environmental test-time OOD distributions under both covariate and semantic shifts. We show both empirically and theoretically that the proposed margin constraint is the key to achieving both OOD generalization and detection. Extensive experiments show the superiority of our framework, outperforming competitive baselines that specialize in either OOD generalization or OOD detection. Code is publicly available at https://github.com/deeplearning-wisc/scone.

In this work, we propose "Residual Attention Network", a convolutional neural network using attention mechanism which can incorporate with state-of-art feed forward network architecture in an end-to-end training fashion. Our Residual Attention Network is built by stacking Attention Modules which generate attention-aware features. The attention-aware features from different modules change adaptively as layers going deeper. Inside each Attention Module, bottom-up top-down feedforward structure is used to unfold the feedforward and feedback attention process into a single feedforward process. Importantly, we propose attention residual learning to train very deep Residual Attention Networks which can be easily scaled up to hundreds of layers. Extensive analyses are conducted on CIFAR-10 and CIFAR-100 datasets to verify the effectiveness of every module mentioned above. Our Residual Attention Network achieves state-of-the-art object recognition performance on three benchmark datasets including CIFAR-10 (3.90% error), CIFAR-100 (20.45% error) and ImageNet (4.8% single model and single crop, top-5 error). Note that, our method achieves 0.6% top-1 accuracy improvement with 46% trunk depth and 69% forward FLOPs comparing to ResNet-200. The experiment also demonstrates that our network is robust against noisy labels.

We study regressions with multiple treatments and a set of controls that is flexible enough to purge omitted variable bias. We show that these regressions generally fail to estimate convex averages of heterogeneous treatment effects -- instead, estimates of each treatment's effect are contaminated by non-convex averages of the effects of other treatments. We discuss three estimation approaches that avoid such contamination bias, including the targeting of easiest-to-estimate weighted average effects. A re-analysis of nine empirical applications finds economically and statistically meaningful contamination bias in observational studies; contamination bias in experimental studies is more limited due to smaller variability in propensity scores.

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.

In this paper, we provide 20,000 non-trivial human annotations on popular datasets as a first step to bridge gap to studying how natural semantic spurious features affect image classification, as prior works often study datasets mixing low-level features due to limitations in accessing realistic datasets. We investigate how natural background colors play a role as spurious features by annotating the test sets of CIFAR10 and CIFAR100 into subgroups based on the background color of each image. We name our datasets CIFAR10-B and CIFAR100-B and integrate them with CIFAR-Cs. We find that overall human-level accuracy does not guarantee consistent subgroup performances, and the phenomenon remains even on models pre-trained on ImageNet or after data augmentation (DA). To alleviate this issue, we propose FlowAug, a semantic DA that leverages decoupled semantic representations captured by a pre-trained generative flow. Experimental results show that FlowAug achieves more consistent subgroup results than other types of DA methods on CIFAR10/100 and on CIFAR10/100-C. Additionally, it shows better generalization performance. Furthermore, we propose a generic metric, MacroStd, for studying model robustness to spurious correlations, where we take a macro average on the weighted standard deviations across different classes. We show MacroStd being more predictive of better performances; per our metric, FlowAug demonstrates improvements on subgroup discrepancy. Although this metric is proposed to study our curated datasets, it applies to all datasets that have subgroups or subclasses. Lastly, we also show superior out-of-distribution results on CIFAR10.1.

Current diffusion-based image restoration methods feed degraded input images as conditions into the noise estimation network. However, interpreting this diffusion process is challenging since it essentially generates the target image from the noise. To establish a unified and more interpretable model for image generation and restoration, we propose residual denoising diffusion models (RDDM). In contrast to existing diffusion models (e.g., DDPM or DDIM) that focus solely on noise estimation, our RDDM predicts residuals to represent directional diffusion from the target domain to the input domain, while concurrently estimating noise to account for random perturbations in the diffusion process. The introduction of residuals allows us to redefine the forward diffusion process, wherein the target image progressively diffuses into a purely noisy image or a noise-carrying input image, thus unifying image generation and restoration. We demonstrate that our sampling process is consistent with that of DDPM and DDIM through coefficient transformation, and propose a partially path-independent generation process to better understand the reverse process. Notably, with native support for conditional inputs, our RDDM enables a generic UNet, trained with only an ell _1 loss and a batch size of 1, to compete with state-of-the-art image restoration methods. We provide code and pre-trained models to encourage further exploration, application, and development of our innovative framework (https://github.com/nachifur/RDDM).

The trade-off between regret and computational cost is a fundamental problem for online kernel regression, and previous algorithms worked on the trade-off can not keep optimal regret bounds at a sublinear computational complexity. In this paper, we propose two new algorithms, AOGD-ALD and NONS-ALD, which can keep nearly optimal regret bounds at a sublinear computational complexity, and give sufficient conditions under which our algorithms work. Both algorithms dynamically maintain a group of nearly orthogonal basis used to approximate the kernel mapping, and keep nearly optimal regret bounds by controlling the approximate error. The number of basis depends on the approximate error and the decay rate of eigenvalues of the kernel matrix. If the eigenvalues decay exponentially, then AOGD-ALD and NONS-ALD separately achieves a regret of O(L(f)) and O(d_{eff}(mu)T) at a computational complexity in O(ln^2{T}). If the eigenvalues decay polynomially with degree pgeq 1, then our algorithms keep the same regret bounds at a computational complexity in o(T) in the case of p>4 and pgeq 10, respectively. L(f) is the cumulative losses of f and d_{eff}(mu) is the effective dimension of the problem. The two regret bounds are nearly optimal and are not comparable.

Partial correlations quantify linear association between two variables adjusting for the influence of the remaining variables. They form the backbone for graphical models and are readily obtained from the inverse of the covariance matrix. For compositional data, the covariance structure is specified from log ratios of variables, so unless we try to "open" the data via a normalization, this implies changes in the definition and interpretation of partial correlations. In the present work, we elucidate how results derived by Aitchison (1986) lead to a natural definition of partial correlation that has a number of advantages over current measures of association. For this, we show that the residuals of log-ratios between a variable with a reference, when adjusting for all remaining variables including the reference, are reference-independent. Since the reference itself can be controlled for, correlations between residuals are defined for the variables directly without the necessity to recur to ratios except when specifying which variables are partialled out. Thus, perhaps surprisingly, partial correlations do not have the problems commonly found with measures of pairwise association on compositional data. They are well-defined between two variables, are properly scaled, and allow for negative association. By design, they are subcompositionally incoherent, but they share this property with conventional partial correlations (where results change when adjusting for the influence of fewer variables). We discuss the equivalence with normalization-based approaches whenever the normalizing variables are controlled for. We also discuss the partial variances and correlations we obtain from a previously studied data set of Roman glass cups.

Developing autonomous agents that can interact with changing environments is an open challenge in machine learning. Robustness is particularly important in these settings as agents are often fit offline on expert demonstrations but deployed online where they must generalize to the closed feedback loop within the environment. In this work, we explore the application of recurrent neural networks to tasks of this nature and understand how a parameterization of their recurrent connectivity influences robustness in closed-loop settings. Specifically, we represent the recurrent connectivity as a function of rank and sparsity and show both theoretically and empirically that modulating these two variables has desirable effects on network dynamics. The proposed low-rank, sparse connectivity induces an interpretable prior on the network that proves to be most amenable for a class of models known as closed-form continuous-time neural networks (CfCs). We find that CfCs with fewer parameters can outperform their full-rank, fully-connected counterparts in the online setting under distribution shift. This yields memory-efficient and robust agents while opening a new perspective on how we can modulate network dynamics through connectivity.

Recent success in deep learning has partially been driven by training increasingly overparametrized networks on ever larger datasets. It is therefore natural to ask: how much of the data is superfluous, which examples are important for generalization, and how do we find them? In this work, we make the striking observation that, in standard vision datasets, simple scores averaged over several weight initializations can be used to identify important examples very early in training. We propose two such scores -- the Gradient Normed (GraNd) and the Error L2-Norm (EL2N) scores -- and demonstrate their efficacy on a range of architectures and datasets by pruning significant fractions of training data without sacrificing test accuracy. In fact, using EL2N scores calculated a few epochs into training, we can prune half of the CIFAR10 training set while slightly improving test accuracy. Furthermore, for a given dataset, EL2N scores from one architecture or hyperparameter configuration generalize to other configurations. Compared to recent work that prunes data by discarding examples that are rarely forgotten over the course of training, our scores use only local information early in training. We also use our scores to detect noisy examples and study training dynamics through the lens of important examples -- we investigate how the data distribution shapes the loss surface and identify subspaces of the model's data representation that are relatively stable over training.

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

While current high-resolution depth estimation methods achieve strong results, they often suffer from computational inefficiencies due to reliance on heavyweight models and multiple inference steps, increasing inference time. To address this, we introduce PatchRefiner V2 (PRV2), which replaces heavy refiner models with lightweight encoders. This reduces model size and inference time but introduces noisy features. To overcome this, we propose a Coarse-to-Fine (C2F) module with a Guided Denoising Unit for refining and denoising the refiner features and a Noisy Pretraining strategy to pretrain the refiner branch to fully exploit the potential of the lightweight refiner branch. Additionally, we introduce a Scale-and-Shift Invariant Gradient Matching (SSIGM) loss to enhance synthetic-to-real domain transfer. PRV2 outperforms state-of-the-art depth estimation methods on UnrealStereo4K in both accuracy and speed, using fewer parameters and faster inference. It also shows improved depth boundary delineation on real-world datasets like CityScape, ScanNet++, and KITTI, demonstrating its versatility across domains.

In this work, we present a variety of novel information-theoretic generalization bounds for learning algorithms, from the supersample setting of Steinke & Zakynthinou (2020)-the setting of the "conditional mutual information" framework. Our development exploits projecting the loss pair (obtained from a training instance and a testing instance) down to a single number and correlating loss values with a Rademacher sequence (and its shifted variants). The presented bounds include square-root bounds, fast-rate bounds, including those based on variance and sharpness, and bounds for interpolating algorithms etc. We show theoretically or empirically that these bounds are tighter than all information-theoretic bounds known to date on the same supersample setting.

In this work, we study the performance of sub-gradient method (SubGM) on a natural nonconvex and nonsmooth formulation of low-rank matrix recovery with ell_1-loss, where the goal is to recover a low-rank matrix from a limited number of measurements, a subset of which may be grossly corrupted with noise. We study a scenario where the rank of the true solution is unknown and over-estimated instead. The over-estimation of the rank gives rise to an over-parameterized model in which there are more degrees of freedom than needed. Such over-parameterization may lead to overfitting, or adversely affect the performance of the algorithm. We prove that a simple SubGM with small initialization is agnostic to both over-parameterization and noise in the measurements. In particular, we show that small initialization nullifies the effect of over-parameterization on the performance of SubGM, leading to an exponential improvement in its convergence rate. Moreover, we provide the first unifying framework for analyzing the behavior of SubGM under both outlier and Gaussian noise models, showing that SubGM converges to the true solution, even under arbitrarily large and arbitrarily dense noise values, and--perhaps surprisingly--even if the globally optimal solutions do not correspond to the ground truth. At the core of our results is a robust variant of restricted isometry property, called Sign-RIP, which controls the deviation of the sub-differential of the ell_1-loss from that of an ideal, expected loss. As a byproduct of our results, we consider a subclass of robust low-rank matrix recovery with Gaussian measurements, and show that the number of required samples to guarantee the global convergence of SubGM is independent of the over-parameterized rank.

When facing data with imbalanced classes or groups, practitioners follow an intriguing strategy to achieve best results. They throw away examples until the classes or groups are balanced in size, and then perform empirical risk minimization on the reduced training set. This opposes common wisdom in learning theory, where the expected error is supposed to decrease as the dataset grows in size. In this work, we leverage extreme value theory to address this apparent contradiction. Our results show that the tails of the data distribution play an important role in determining the worst-group-accuracy of linear classifiers. When learning on data with heavy tails, throwing away data restores the geometric symmetry of the resulting classifier, and therefore improves its worst-group generalization.

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

Multimodal variational autoencoders (VAEs) have shown promise as efficient generative models for weakly-supervised data. Yet, despite their advantage of weak supervision, they exhibit a gap in generative quality compared to unimodal VAEs, which are completely unsupervised. In an attempt to explain this gap, we uncover a fundamental limitation that applies to a large family of mixture-based multimodal VAEs. We prove that the sub-sampling of modalities enforces an undesirable upper bound on the multimodal ELBO and thereby limits the generative quality of the respective models. Empirically, we showcase the generative quality gap on both synthetic and real data and present the tradeoffs between different variants of multimodal VAEs. We find that none of the existing approaches fulfills all desired criteria of an effective multimodal generative model when applied on more complex datasets than those used in previous benchmarks. In summary, we identify, formalize, and validate fundamental limitations of VAE-based approaches for modeling weakly-supervised data and discuss implications for real-world applications.

Single-image shadow removal is a significant task that is still unresolved. Most existing deep learning-based approaches attempt to remove the shadow directly, which can not deal with the shadow well. To handle this issue, we consider removing the shadow in a coarse-to-fine fashion and propose a simple but effective Progressive Recurrent Network (PRNet). The network aims to remove the shadow progressively, enabing us to flexibly adjust the number of iterations to strike a balance between performance and time. Our network comprises two parts: shadow feature extraction and progressive shadow removal. Specifically, the first part is a shallow ResNet which constructs the representations of the input shadow image on its original size, preventing the loss of high-frequency details caused by the downsampling operation. The second part has two critical components: the re-integration module and the update module. The proposed re-integration module can fully use the outputs of the previous iteration, providing input for the update module for further shadow removal. In this way, the proposed PRNet makes the whole process more concise and only uses 29% network parameters than the best published method. Extensive experiments on the three benchmarks, ISTD, ISTD+, and SRD, demonstrate that our method can effectively remove shadows and achieve superior performance.

Variational Autoencoders (VAEs) have become a cornerstone in generative modeling and representation learning within machine learning. This paper explores a nuanced aspect of VAEs, focusing on interpreting the Kullback-Leibler (KL) Divergence, a critical component within the Evidence Lower Bound (ELBO) that governs the trade-off between reconstruction accuracy and regularization. Meanwhile, the KL Divergence enforces alignment between latent variable distributions and a prior imposing a structure on the overall latent space but leaves individual variable distributions unconstrained. The proposed method redefines the ELBO with a mixture of Gaussians for the posterior probability, introduces a regularization term to prevent variance collapse, and employs a PatchGAN discriminator to enhance texture realism. Implementation details involve ResNetV2 architectures for both the Encoder and Decoder. The experiments demonstrate the ability to generate realistic faces, offering a promising solution for enhancing VAE-based generative models.

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

Despite apparent human-level performances of deep neural networks (DNN), they behave fundamentally differently from humans. They easily change predictions when small corruptions such as blur and noise are applied on the input (lack of robustness), and they often produce confident predictions on out-of-distribution samples (improper uncertainty measure). While a number of researches have aimed to address those issues, proposed solutions are typically expensive and complicated (e.g. Bayesian inference and adversarial training). Meanwhile, many simple and cheap regularization methods have been developed to enhance the generalization of classifiers. Such regularization methods have largely been overlooked as baselines for addressing the robustness and uncertainty issues, as they are not specifically designed for that. In this paper, we provide extensive empirical evaluations on the robustness and uncertainty estimates of image classifiers (CIFAR-100 and ImageNet) trained with state-of-the-art regularization methods. Furthermore, experimental results show that certain regularization methods can serve as strong baseline methods for robustness and uncertainty estimation of DNNs.

In this paper, we propose to use the general L^2-based Sobolev norms, i.e., H^s norms where sin R, to measure the data discrepancy due to noise in image processing tasks that are formulated as optimization problems. As opposed to a popular trend of developing regularization methods, we emphasize that an implicit regularization effect can be achieved through the class of Sobolev norms as the data-fitting term. Specifically, we analyze that the implicit regularization comes from the weights that the H^s norm imposes on different frequency contents of an underlying image. We further analyze the underlying noise assumption of using the Sobolev norm as the data-fitting term from a Bayesian perspective, build the connections with the Sobolev gradient-based methods and discuss the preconditioning effects on the convergence rate of the gradient descent algorithm, leading to a better understanding of functional spaces/metrics and the optimization process involved in image processing. Numerical results in full waveform inversion, image denoising and deblurring demonstrate the implicit regularization effects.

Semi-supervised semantic segmentation (SSS) is an important task that utilizes both labeled and unlabeled data to reduce expenses on labeling training examples. However, the effectiveness of SSS algorithms is limited by the difficulty of fully exploiting the potential of unlabeled data. To address this, we propose a dual-level Siamese structure network (DSSN) for pixel-wise contrastive learning. By aligning positive pairs with a pixel-wise contrastive loss using strong augmented views in both low-level image space and high-level feature space, the proposed DSSN is designed to maximize the utilization of available unlabeled data. Additionally, we introduce a novel class-aware pseudo-label selection strategy for weak-to-strong supervision, which addresses the limitations of most existing methods that do not perform selection or apply a predefined threshold for all classes. Specifically, our strategy selects the top high-confidence prediction of the weak view for each class to generate pseudo labels that supervise the strong augmented views. This strategy is capable of taking into account the class imbalance and improving the performance of long-tailed classes. Our proposed method achieves state-of-the-art results on two datasets, PASCAL VOC 2012 and Cityscapes, outperforming other SSS algorithms by a significant margin.

Learning the tail behavior of a distribution is a notoriously difficult problem. By definition, the number of samples from the tail is small, and deep generative models, such as normalizing flows, tend to concentrate on learning the body of the distribution. In this paper, we focus on improving the ability of normalizing flows to correctly capture the tail behavior and, thus, form more accurate models. We prove that the marginal tailedness of an autoregressive flow can be controlled via the tailedness of the marginals of its base distribution. This theoretical insight leads us to a novel type of flows based on flexible base distributions and data-driven linear layers. An empirical analysis shows that the proposed method improves on the accuracy -- especially on the tails of the distribution -- and is able to generate heavy-tailed data. We demonstrate its application on a weather and climate example, in which capturing the tail behavior is essential.

Temporal Difference (TD) algorithms are widely used in Deep Reinforcement Learning (RL). Their performance is heavily influenced by the size of the neural network. While in supervised learning, the regime of over-parameterization and its benefits are well understood, the situation in RL is much less clear. In this paper, we present a theoretical analysis of the influence of network size and l_2-regularization on performance. We identify the ratio between the number of parameters and the number of visited states as a crucial factor and define over-parameterization as the regime when it is larger than one. Furthermore, we observe a double descent phenomenon, i.e., a sudden drop in performance around the parameter/state ratio of one. Leveraging random features and the lazy training regime, we study the regularized Least-Square Temporal Difference (LSTD) algorithm in an asymptotic regime, as both the number of parameters and states go to infinity, maintaining a constant ratio. We derive deterministic limits of both the empirical and the true Mean-Squared Bellman Error (MSBE) that feature correction terms responsible for the double descent. Correction terms vanish when the l_2-regularization is increased or the number of unvisited states goes to zero. Numerical experiments with synthetic and small real-world environments closely match the theoretical predictions.

L_2 regularization and weight decay regularization are equivalent for standard stochastic gradient descent (when rescaled by the learning rate), but as we demonstrate this is not the case for adaptive gradient algorithms, such as Adam. While common implementations of these algorithms employ L_2 regularization (often calling it "weight decay" in what may be misleading due to the inequivalence we expose), we propose a simple modification to recover the original formulation of weight decay regularization by decoupling the weight decay from the optimization steps taken w.r.t. the loss function. We provide empirical evidence that our proposed modification (i) decouples the optimal choice of weight decay factor from the setting of the learning rate for both standard SGD and Adam and (ii) substantially improves Adam's generalization performance, allowing it to compete with SGD with momentum on image classification datasets (on which it was previously typically outperformed by the latter). Our proposed decoupled weight decay has already been adopted by many researchers, and the community has implemented it in TensorFlow and PyTorch; the complete source code for our experiments is available at https://github.com/loshchil/AdamW-and-SGDW

Neural Radiance Field (NeRF) and its variants have recently emerged as successful methods for novel view synthesis and 3D scene reconstruction. However, most current NeRF models either achieve high accuracy using large model sizes, or achieve high memory-efficiency by trading off accuracy. This limits the applicable scope of any single model, since high-accuracy models might not fit in low-memory devices, and memory-efficient models might not satisfy high-quality requirements. To this end, we present SlimmeRF, a model that allows for instant test-time trade-offs between model size and accuracy through slimming, thus making the model simultaneously suitable for scenarios with different computing budgets. We achieve this through a newly proposed algorithm named Tensorial Rank Incrementation (TRaIn) which increases the rank of the model's tensorial representation gradually during training. We also observe that our model allows for more effective trade-offs in sparse-view scenarios, at times even achieving higher accuracy after being slimmed. We credit this to the fact that erroneous information such as floaters tend to be stored in components corresponding to higher ranks. Our implementation is available at https://github.com/Shiran-Yuan/SlimmeRF.

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.

Super-Resolution convolutional neural networks have recently demonstrated high-quality restoration for single images. However, existing algorithms often require very deep architectures and long training times. Furthermore, current convolutional neural networks for super-resolution are unable to exploit features at multiple scales and weigh them equally, limiting their learning capability. In this exposition, we present a compact and accurate super-resolution algorithm namely, Densely Residual Laplacian Network (DRLN). The proposed network employs cascading residual on the residual structure to allow the flow of low-frequency information to focus on learning high and mid-level features. In addition, deep supervision is achieved via the densely concatenated residual blocks settings, which also helps in learning from high-level complex features. Moreover, we propose Laplacian attention to model the crucial features to learn the inter and intra-level dependencies between the feature maps. Furthermore, comprehensive quantitative and qualitative evaluations on low-resolution, noisy low-resolution, and real historical image benchmark datasets illustrate that our DRLN algorithm performs favorably against the state-of-the-art methods visually and accurately.

We propose an adaptive training scheme for unsupervised medical image registration. Existing methods rely on image reconstruction as the primary supervision signal. However, nuisance variables (e.g. noise and covisibility), violation of the Lambertian assumption in physical waves (e.g. ultrasound), and inconsistent image acquisition can all cause a loss of correspondence between medical images. As the unsupervised learning scheme relies on intensity constancy between images to establish correspondence for reconstruction, this introduces spurious error residuals that are not modeled by the typical training objective. To mitigate this, we propose an adaptive framework that re-weights the error residuals with a correspondence scoring map during training, preventing the parametric displacement estimator from drifting away due to noisy gradients, which leads to performance degradation. To illustrate the versatility and effectiveness of our method, we tested our framework on three representative registration architectures across three medical image datasets along with other baselines. Our adaptive framework consistently outperforms other methods both quantitatively and qualitatively. Paired t-tests show that our improvements are statistically significant. Code available at: https://voldemort108x.github.io/AdaCS/.

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

Dynamic Sparse Training (DST) methods achieve state-of-the-art results in sparse neural network training, matching the generalization of dense models while enabling sparse training and inference. Although the resulting models are highly sparse and theoretically less computationally expensive, achieving speedups with unstructured sparsity on real-world hardware is challenging. In this work, we propose a sparse-to-sparse DST method, Structured RigL (SRigL), to learn a variant of fine-grained structured N:M sparsity by imposing a constant fan-in constraint. Using our empirical analysis of existing DST methods at high sparsity, we additionally employ a neuron ablation method which enables SRigL to achieve state-of-the-art sparse-to-sparse structured DST performance on a variety of Neural Network (NN) architectures. We demonstrate reduced real-world timings on CPU for online inference -- 3.6x/2x faster at 90% sparsity than equivalent dense/unstructured sparse layers, respectively. Our source code is available at https://github.com/calgaryml/condensed-sparsity

A ranker plays an indispensable role in the de facto 'retrieval & rerank' pipeline, but its training still lags behind -- learning from moderate negatives or/and serving as an auxiliary module for a retriever. In this work, we first identify two major barriers to a robust ranker, i.e., inherent label noises caused by a well-trained retriever and non-ideal negatives sampled for a high-capable ranker. Thereby, we propose multiple retrievers as negative generators improve the ranker's robustness, where i) involving extensive out-of-distribution label noises renders the ranker against each noise distribution, and ii) diverse hard negatives from a joint distribution are relatively close to the ranker's negative distribution, leading to more challenging thus effective training. To evaluate our robust ranker (dubbed R^2anker), we conduct experiments in various settings on the popular passage retrieval benchmark, including BM25-reranking, full-ranking, retriever distillation, etc. The empirical results verify the new state-of-the-art effectiveness of our model.

Continuous-valued Autoregressive (AR) image generation models have demonstrated notable superiority over their discrete-token counterparts, showcasing considerable reconstruction quality and higher generation fidelity. However, the computational demands of the autoregressive framework result in significant inference overhead. While speculative decoding has proven effective in accelerating Large Language Models (LLMs), their adaptation to continuous-valued visual autoregressive models remains unexplored. This work generalizes the speculative decoding algorithm from discrete tokens to continuous space. By analyzing the intrinsic properties of output distribution, we establish a tailored acceptance criterion for the diffusion distributions prevalent in such models. To overcome the inconsistency that occurred in speculative decoding output distributions, we introduce denoising trajectory alignment and token pre-filling methods. Additionally, we identify the hard-to-sample distribution in the rejection phase. To mitigate this issue, we propose a meticulous acceptance-rejection sampling method with a proper upper bound, thereby circumventing complex integration. Experimental results show that our continuous speculative decoding achieves a remarkable 2.33times speed-up on off-the-shelf models while maintaining the output distribution. Codes will be available at https://github.com/MarkXCloud/CSpD

In recent years, deep learning methods have been successfully applied to single-image super-resolution tasks. Despite their great performances, deep learning methods cannot be easily applied to real-world applications due to the requirement of heavy computation. In this paper, we address this issue by proposing an accurate and lightweight deep network for image super-resolution. In detail, we design an architecture that implements a cascading mechanism upon a residual network. We also present variant models of the proposed cascading residual network to further improve efficiency. Our extensive experiments show that even with much fewer parameters and operations, our models achieve performance comparable to that of state-of-the-art methods.