Daily Papers

Dataset bias often leads deep learning models to exploit spurious correlations instead of task-relevant signals. We introduce the Standard Anti-Causal Model (SAM), a unifying causal framework that characterizes bias mechanisms and yields a conditional independence criterion for causal stability. Building on this theory, we propose DISCO_m and sDISCO, efficient and scalable estimators of conditional distance correlation that enable independence regularization in gradient-based models. Across six diverse datasets, our methods consistently outperform or are competitive in existing observed bias mitigation approaches, while requiring fewer hyperparameters and scaling seamlessly to multi-bias scenarios. This work bridges causal theory and practical deep learning, providing both a principled foundation and effective tools for robust prediction. Source Code: https://github.com/yakamoz5/DISCO.

A central premise in mechanistic interpretability is that meaningful concepts in language models are represented by linear features in activation space. For such features to support reliable interventions, manipulating one feature should not substantially alter the effects of others. In practice, however, feature entanglement leads to interference such that localized interventions can have unintended downstream effects. Motivated by the Independent Causal Mechanisms principle, we propose to constrain internal features to be almost orthogonal. We argue that this promotes modular representations amenable to causal intervention. We formalize this problem by characterizing the gap between an idealized isolated intervention and its realized effect on model outputs in terms of feature interference. We upper-bound the propagation of feature interference in terms of the self-coherence of the feature dictionary, and relate this discrepancy to an explicit orthogonality regularization on the dictionary itself. Empirically, we show that this regularization enables more isolated interventions on mathematical reasoning concepts while preserving model performance. Our code is available under https://github.com/mrtzmllr/sae-icm.

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.

Conditional independence testing (CIT) is essential for reliable scientific discovery. It prevents spurious findings and enables controlled feature selection. Recent CIT methods have used machine learning (ML) models as surrogates of the underlying distribution. However, model-agnostic approaches require a train-test split, which reduces statistical power. We introduce Semi-knockoffs, a CIT method that can accommodate any pre-trained model, avoids this split, and provides valid p-values and false discovery rate (FDR) control for high-dimensional settings. Unlike methods that rely on the model-X assumption (known input distribution), Semi-knockoffs only require conditional expectations for continuous variables. This makes the procedure less restrictive and more practical for machine learning integration. To ensure validity when estimating these expectations, we present two new theoretical results of independent interest: (i) stability for regularized models trained with a null feature and (ii) the double-robustness property.

Regularizing neural networks is important for anticipating model behavior in regions of the data space that are not well represented. In this work, we propose a regularization technique for enforcing a level of smoothness in the mapping between the data input space and the loss value. We specify the level of regularity by requiring that the loss of the network satisfies an elliptic operator over the data domain. To do this, we modify the usual empirical risk minimization objective such that we instead minimize a new objective that satisfies an elliptic operator over points within the domain. This allows us to use existing theory on elliptic operators to anticipate the behavior of the error for points outside the training set. We propose a tractable computational method that approximates the behavior of the elliptic operator while being computationally efficient. Finally, we analyze the properties of the proposed regularization to understand the performance on common problems of distribution shift and group imbalance. Numerical experiments confirm the utility of the proposed regularization technique.

Independence testing is a fundamental and classical statistical problem that has been extensively studied in the batch setting when one fixes the sample size before collecting data. However, practitioners often prefer procedures that adapt to the complexity of a problem at hand instead of setting sample size in advance. Ideally, such procedures should (a) allow stopping earlier on easy tasks (and later on harder tasks), hence making better use of available resources, and (b) continuously monitor the data and efficiently incorporate statistical evidence after collecting new data, while controlling the false alarm rate. It is well known that classical batch tests are not tailored for streaming data settings: valid inference after data peeking requires correcting for multiple testing but such corrections generally result in low power. Following the principle of testing by betting, we design sequential kernelized independence tests (SKITs) that overcome such shortcomings. We exemplify our broad framework using bets inspired by kernelized dependence measures, e.g, the Hilbert-Schmidt independence criterion. Our test is valid under non-i.i.d. time-varying settings, for which there exist no batch tests. We demonstrate the power of our approaches on both simulated and real data.

Through using only a well-trained classifier, model-inversion (MI) attacks can recover the data used for training the classifier, leading to the privacy leakage of the training data. To defend against MI attacks, previous work utilizes a unilateral dependency optimization strategy, i.e., minimizing the dependency between inputs (i.e., features) and outputs (i.e., labels) during training the classifier. However, such a minimization process conflicts with minimizing the supervised loss that aims to maximize the dependency between inputs and outputs, causing an explicit trade-off between model robustness against MI attacks and model utility on classification tasks. In this paper, we aim to minimize the dependency between the latent representations and the inputs while maximizing the dependency between latent representations and the outputs, named a bilateral dependency optimization (BiDO) strategy. In particular, we use the dependency constraints as a universally applicable regularizer in addition to commonly used losses for deep neural networks (e.g., cross-entropy), which can be instantiated with appropriate dependency criteria according to different tasks. To verify the efficacy of our strategy, we propose two implementations of BiDO, by using two different dependency measures: BiDO with constrained covariance (BiDO-COCO) and BiDO with Hilbert-Schmidt Independence Criterion (BiDO-HSIC). Experiments show that BiDO achieves the state-of-the-art defense performance for a variety of datasets, classifiers, and MI attacks while suffering a minor classification-accuracy drop compared to the well-trained classifier with no defense, which lights up a novel road to defend against MI attacks.

The lottery ticket hypothesis (LTH) has increased attention to pruning neural networks at initialization. We study this problem in the linear setting. We show that finding a sparse mask at initialization is equivalent to the sketching problem introduced for efficient matrix multiplication. This gives us tools to analyze the LTH problem and gain insights into it. Specifically, using the mask found at initialization, we bound the approximation error of the pruned linear model at the end of training. We theoretically justify previous empirical evidence that the search for sparse networks may be data independent. By using the sketching perspective, we suggest a generic improvement to existing algorithms for pruning at initialization, which we show to be beneficial in the data-independent case.

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

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

We propose a deep learning framework for modeling complex high-dimensional densities called Non-linear Independent Component Estimation (NICE). It is based on the idea that a good representation is one in which the data has a distribution that is easy to model. For this purpose, a non-linear deterministic transformation of the data is learned that maps it to a latent space so as to make the transformed data conform to a factorized distribution, i.e., resulting in independent latent variables. We parametrize this transformation so that computing the Jacobian determinant and inverse transform is trivial, yet we maintain the ability to learn complex non-linear transformations, via a composition of simple building blocks, each based on a deep neural network. The training criterion is simply the exact log-likelihood, which is tractable. Unbiased ancestral sampling is also easy. We show that this approach yields good generative models on four image datasets and can be used for inpainting.

We introduce a novel class of regularization functions, called Cauchy-Schwarz (CS) regularizers, which can be designed to induce a wide range of properties in solution vectors of optimization problems. To demonstrate the versatility of CS regularizers, we derive regularization functions that promote discrete-valued vectors, eigenvectors of a given matrix, and orthogonal matrices. The resulting CS regularizers are simple, differentiable, and can be free of spurious stationary points, making them suitable for gradient-based solvers and large-scale optimization problems. In addition, CS regularizers automatically adapt to the appropriate scale, which is, for example, beneficial when discretizing the weights of neural networks. To demonstrate the efficacy of CS regularizers, we provide results for solving underdetermined systems of linear equations and weight quantization in neural networks. Furthermore, we discuss specializations, variations, and generalizations, which lead to an even broader class of new and possibly more powerful regularizers.

While the phenomenon of grokking, i.e., delayed generalization, has been studied extensively, it remains an open problem whether there is a mathematical framework that characterizes what kind of features will emerge, how and in which conditions it happens, and is closely related to the gradient dynamics of the training, for complex structured inputs. We propose a novel framework, named Li_2, that captures three key stages for the grokking behavior of 2-layer nonlinear networks: (I) \textbf{L}azy learning, (II) \textbf{i}ndependent feature learning and (III) \textbf{i}nteractive feature learning. At the lazy learning stage, top layer overfits to random hidden representation and the model appears to memorize. Thanks to lazy learning and weight decay, the backpropagated gradient G_F from the top layer now carries information about the target label, with a specific structure that enables each hidden node to learn their representation independently. Interestingly, the independent dynamics follows exactly the gradient ascent of an energy function E, and its local maxima are precisely the emerging features. We study whether these local-optima induced features are generalizable, their representation power, and how they change on sample size, in group arithmetic tasks. When hidden nodes start to interact in the later stage of learning, we provably show how G_F changes to focus on missing features that need to be learned. Our study sheds lights on roles played by key hyperparameters such as weight decay, learning rate and sample sizes in grokking, leads to provable scaling laws of feature emergence, memorization and generalization, and reveals the underlying cause why recent optimizers such as Muon can be effective, from the first principles of gradient dynamics. Our analysis can be extended to multi-layer architectures.

In this work, we investigate the implicit regularization induced by teacher-student learning dynamics in self-distillation. To isolate its effect, we describe a simple experiment where we consider teachers at random initialization instead of trained teachers. Surprisingly, when distilling a student into such a random teacher, we observe that the resulting model and its representations already possess very interesting characteristics; (1) we observe a strong improvement of the distilled student over its teacher in terms of probing accuracy. (2) The learned representations are data-dependent and transferable between different tasks but deteriorate strongly if trained on random inputs. (3) The student checkpoint contains sparse subnetworks, so-called lottery tickets, and lies on the border of linear basins in the supervised loss landscape. These observations have interesting consequences for several important areas in machine learning: (1) Self-distillation can work solely based on the implicit regularization present in the gradient dynamics without relying on any dark knowledge, (2) self-supervised learning can learn features even in the absence of data augmentation and (3) training dynamics during the early phase of supervised training do not necessarily require label information. Finally, we shed light on an intriguing local property of the loss landscape: the process of feature learning is strongly amplified if the student is initialized closely to the teacher. These results raise interesting questions about the nature of the landscape that have remained unexplored so far. Code is available at https://github.com/safelix/dinopl.

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

As neural networks become deeper, the redundancy within their parameters increases. This phenomenon has led to several methods that attempt to reduce the correlation between convolutional filters. We propose a computationally efficient regularization technique that encourages orthonormality between groups of filters within the same layer. Our experiments show that when incorporated into recent adaptation methods for diffusion models and vision transformers (ViTs), this regularization improves performance on downstream tasks. We further show improved robustness when group orthogonality is enforced during adversarial training. Our code is available at https://github.com/YoavKurtz/GOR.

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.

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.

Off-policy learning (OPL) aims at finding improved policies from logged bandit data, often by minimizing the inverse propensity scoring (IPS) estimator of the risk. In this work, we investigate a smooth regularization for IPS, for which we derive a two-sided PAC-Bayes generalization bound. The bound is tractable, scalable, interpretable and provides learning certificates. In particular, it is also valid for standard IPS without making the assumption that the importance weights are bounded. We demonstrate the relevance of our approach and its favorable performance through a set of learning tasks. Since our bound holds for standard IPS, we are able to provide insight into when regularizing IPS is useful. Namely, we identify cases where regularization might not be needed. This goes against the belief that, in practice, clipped IPS often enjoys favorable performance than standard IPS in OPL.

Self-supervised representation learning has shown remarkable success in a number of domains. A common practice is to perform data augmentation via hand-crafted transformations intended to leave the semantics of the data invariant. We seek to understand the empirical success of this approach from a theoretical perspective. We formulate the augmentation process as a latent variable model by postulating a partition of the latent representation into a content component, which is assumed invariant to augmentation, and a style component, which is allowed to change. Unlike prior work on disentanglement and independent component analysis, we allow for both nontrivial statistical and causal dependencies in the latent space. We study the identifiability of the latent representation based on pairs of views of the observations and prove sufficient conditions that allow us to identify the invariant content partition up to an invertible mapping in both generative and discriminative settings. We find numerical simulations with dependent latent variables are consistent with our theory. Lastly, we introduce Causal3DIdent, a dataset of high-dimensional, visually complex images with rich causal dependencies, which we use to study the effect of data augmentations performed in practice.

Variational approaches based on neural networks are showing promise for estimating mutual information (MI) between high dimensional variables. However, they can be difficult to use in practice due to poorly understood bias/variance tradeoffs. We theoretically show that, under some conditions, estimators such as MINE exhibit variance that could grow exponentially with the true amount of underlying MI. We also empirically demonstrate that existing estimators fail to satisfy basic self-consistency properties of MI, such as data processing and additivity under independence. Based on a unified perspective of variational approaches, we develop a new estimator that focuses on variance reduction. Empirical results on standard benchmark tasks demonstrate that our proposed estimator exhibits improved bias-variance trade-offs on standard benchmark tasks.

Flow-based methods have achieved significant success in various generative modeling tasks, capturing nuanced details within complex data distributions. However, few existing works have exploited this unique capability to resolve fine-grained structural details beyond generation tasks. This paper presents a flow-inspired framework for representation learning. First, we demonstrate that a rectified flow trained using independent coupling is zero everywhere at t=0.5 if and only if the source and target distributions are identical. We term this property the zero-flow criterion. Second, we show that this criterion can certify conditional independence, thereby extracting sufficient information from the data. Third, we translate this criterion into a tractable, simulation-free loss function that enables learning amortized Markov blankets in graphical models and latent representations in self-supervised learning tasks. Experiments on both simulated and real-world datasets demonstrate the effectiveness of our approach. The code reproducing our experiments can be found at: https://github.com/probabilityFLOW/zfe.

An instance with a bad mask might make a composite image that uses it look fake. This encourages us to learn segmentation by generating realistic composite images. To achieve this, we propose a novel framework that exploits a new proposed prior called the independence prior based on Generative Adversarial Networks (GANs). The generator produces an image with multiple category-specific instance providers, a layout module and a composition module. Firstly, each provider independently outputs a category-specific instance image with a soft mask. Then the provided instances' poses are corrected by the layout module. Lastly, the composition module combines these instances into a final image. Training with adversarial loss and penalty for mask area, each provider learns a mask that is as small as possible but enough to cover a complete category-specific instance. Weakly supervised semantic segmentation methods widely use grouping cues modeling the association between image parts, which are either artificially designed or learned with costly segmentation labels or only modeled on local pairs. Unlike them, our method automatically models the dependence between any parts and learns instance segmentation. We apply our framework in two cases: (1) Foreground segmentation on category-specific images with box-level annotation. (2) Unsupervised learning of instance appearances and masks with only one image of homogeneous object cluster (HOC). We get appealing results in both tasks, which shows the independence prior is useful for instance segmentation and it is possible to unsupervisedly learn instance masks with only one image.

In disentangled representation learning, a model is asked to tease apart a dataset's underlying sources of variation and represent them independently of one another. Since the model is provided with no ground truth information about these sources, inductive biases take a paramount role in enabling disentanglement. In this work, we construct an inductive bias towards encoding to and decoding from an organized latent space. Concretely, we do this by (i) quantizing the latent space into discrete code vectors with a separate learnable scalar codebook per dimension and (ii) applying strong model regularization via an unusually high weight decay. Intuitively, the latent space design forces the encoder to combinatorially construct codes from a small number of distinct scalar values, which in turn enables the decoder to assign a consistent meaning to each value. Regularization then serves to drive the model towards this parsimonious strategy. We demonstrate the broad applicability of this approach by adding it to both basic data-reconstructing (vanilla autoencoder) and latent-reconstructing (InfoGAN) generative models. For reliable evaluation, we also propose InfoMEC, a new set of metrics for disentanglement that is cohesively grounded in information theory and fixes well-established shortcomings in previous metrics. Together with regularization, latent quantization dramatically improves the modularity and explicitness of learned representations on a representative suite of benchmark datasets. In particular, our quantized-latent autoencoder (QLAE) consistently outperforms strong methods from prior work in these key disentanglement properties without compromising data reconstruction.

Various tasks in data science are modeled utilizing the variational regularization approach, where manually selecting regularization parameters presents a challenge. The difficulty gets exacerbated when employing regularizers involving a large number of hyperparameters. To overcome this challenge, bilevel learning can be employed to learn such parameters from data. However, neither exact function values nor exact gradients with respect to the hyperparameters are attainable, necessitating methods that only rely on inexact evaluation of such quantities. State-of-the-art inexact gradient-based methods a priori select a sequence of the required accuracies and cannot identify an appropriate step size since the Lipschitz constant of the hypergradient is unknown. In this work, we propose an algorithm with backtracking line search that only relies on inexact function evaluations and hypergradients and show convergence to a stationary point. Furthermore, the proposed algorithm determines the required accuracy dynamically rather than manually selected before running it. Our numerical experiments demonstrate the efficiency and feasibility of our approach for hyperparameter estimation on a range of relevant problems in imaging and data science such as total variation and field of experts denoising and multinomial logistic regression. Particularly, the results show that the algorithm is robust to its own hyperparameters such as the initial accuracies and step size.

The safety alignment of large language models (LLMs) can be circumvented through adversarially crafted inputs, yet the mechanisms by which these attacks bypass safety barriers remain poorly understood. Prior work suggests that a single refusal direction in the model's activation space determines whether an LLM refuses a request. In this study, we propose a novel gradient-based approach to representation engineering and use it to identify refusal directions. Contrary to prior work, we uncover multiple independent directions and even multi-dimensional concept cones that mediate refusal. Moreover, we show that orthogonality alone does not imply independence under intervention, motivating the notion of representational independence that accounts for both linear and non-linear effects. Using this framework, we identify mechanistically independent refusal directions. We show that refusal mechanisms in LLMs are governed by complex spatial structures and identify functionally independent directions, confirming that multiple distinct mechanisms drive refusal behavior. Our gradient-based approach uncovers these mechanisms and can further serve as a foundation for future work on understanding LLMs.

Existing feature filters rely on statistical pair-wise dependence metrics to model feature-target relationships, but this approach may fail when the target depends on higher-order feature interactions rather than individual contributions. We introduce Mutual Information Neural Estimation Regularized Vetting Algorithm (MINERVA), a novel approach to supervised feature selection based on neural estimation of mutual information between features and targets. We paramaterize the approximation of mutual information with neural networks and perform feature selection using a carefully designed loss function augmented with sparsity-inducing regularizers. Our method is implemented in a two-stage process to decouple representation learning from feature selection, ensuring better generalization and a more accurate expression of feature importance. We present examples of ubiquitous dependency structures that are rarely captured in literature and show that our proposed method effectively captures these complex feature-target relationships by evaluating feature subsets as an ensemble. Experimental results on synthetic and real-life fraud datasets demonstrate the efficacy of our method and its ability to perform exact solutions.

Efficient training strategies for large-scale diffusion models have recently emphasized the importance of improving discriminative feature representations in these models. A central line of work in this direction is representation alignment with features obtained from powerful external encoders, which improves the representation quality as assessed through linear probing. Alignment-based approaches show promise but depend on large pretrained encoders, which are computationally expensive to obtain. In this work, we propose an alternative regularization for training, based on promoting the Linear SEParability (LSEP) of intermediate layer representations. LSEP eliminates the need for an auxiliary encoder and representation alignment, while incorporating linear probing directly into the network's learning dynamics rather than treating it as a simple post-hoc evaluation tool. Our results demonstrate substantial improvements in both training efficiency and generation quality on flow-based transformer architectures such as SiTs, achieving an FID of 1.46 on 256 times 256 ImageNet dataset.

We investigate how pair-wise data augmentation techniques like Mixup affect the sample complexity of finding optimal decision boundaries in a binary linear classification problem. For a family of data distributions with a separability constant kappa, we analyze how well the optimal classifier in terms of training loss aligns with the optimal one in test accuracy (i.e., Bayes optimal classifier). For vanilla training without augmentation, we uncover an interesting phenomenon named the curse of separability. As we increase kappa to make the data distribution more separable, the sample complexity of vanilla training increases exponentially in kappa; perhaps surprisingly, the task of finding optimal decision boundaries becomes harder for more separable distributions. For Mixup training, we show that Mixup mitigates this problem by significantly reducing the sample complexity. To this end, we develop new concentration results applicable to n^2 pair-wise augmented data points constructed from n independent data, by carefully dealing with dependencies between overlapping pairs. Lastly, we study other masking-based Mixup-style techniques and show that they can distort the training loss and make its minimizer converge to a suboptimal classifier in terms of test accuracy.

The separation power of a machine learning model refers to its ability to distinguish between different inputs and is often used as a proxy for its expressivity. Indeed, knowing the separation power of a family of models is a necessary condition to obtain fine-grained universality results. In this paper, we analyze the separation power of equivariant neural networks, such as convolutional and permutation-invariant networks. We first present a complete characterization of inputs indistinguishable by models derived by a given architecture. From this results, we derive how separability is influenced by hyperparameters and architectural choices-such as activation functions, depth, hidden layer width, and representation types. Notably, all non-polynomial activations, including ReLU and sigmoid, are equivalent in expressivity and reach maximum separation power. Depth improves separation power up to a threshold, after which further increases have no effect. Adding invariant features to hidden representations does not impact separation power. Finally, block decomposition of hidden representations affects separability, with minimal components forming a hierarchy in separation power that provides a straightforward method for comparing the separation power of models.

Iterative self-training (self-distillation) repeatedly refits a model on pseudo-labels generated by its own predictions. We study this procedure in overparameterized linear regression: an initial estimator is trained on noisy labels, and each subsequent iterate is trained on fresh covariates with noiseless pseudo-labels from the previous model. In the high-dimensional regime, we derive deterministic-equivalent recursions for the prediction risk and effective noise across iterations, and prove that the empirical quantities concentrate sharply around these limits. The recursion separates two competing forces: a systematic component that grows with iteration due to progressive signal forgetting, and a stochastic component that decays due to denoising via repeated data-dependent projections. Their interaction yields a U-shaped test-risk curve and an optimal early-stopping time. In spiked covariance models, iteration further acts as an iteration-dependent spectral filter that preserves strong eigendirections while suppressing weaker ones, inducing an implicit form of soft feature selection distinct from ridge regression. Finally, we propose an iterated generalized cross-validation criterion and prove its uniform consistency for estimating the risk along the self-training trajectory, enabling fully data-driven selection of the stopping time and regularization. Experiments on synthetic covariances validate the theory and illustrate the predicted denoising-forgetting trade-off.

Reconstructing 3D shapes from planar cross-sections is a challenge inspired by downstream applications like medical imaging and geographic informatics. The input is an in/out indicator function fully defined on a sparse collection of planes in space, and the output is an interpolation of the indicator function to the entire volume. Previous works addressing this sparse and ill-posed problem either produce low quality results, or rely on additional priors such as target topology, appearance information, or input normal directions. In this paper, we present OReX, a method for 3D shape reconstruction from slices alone, featuring a Neural Field as the interpolation prior. A modest neural network is trained on the input planes to return an inside/outside estimate for a given 3D coordinate, yielding a powerful prior that induces smoothness and self-similarities. The main challenge for this approach is high-frequency details, as the neural prior is overly smoothing. To alleviate this, we offer an iterative estimation architecture and a hierarchical input sampling scheme that encourage coarse-to-fine training, allowing the training process to focus on high frequencies at later stages. In addition, we identify and analyze a ripple-like effect stemming from the mesh extraction step. We mitigate it by regularizing the spatial gradients of the indicator function around input in/out boundaries during network training, tackling the problem at the root. Through extensive qualitative and quantitative experimentation, we demonstrate our method is robust, accurate, and scales well with the size of the input. We report state-of-the-art results compared to previous approaches and recent potential solutions, and demonstrate the benefit of our individual contributions through analysis and ablation studies.

Self-supervised learning (SSL) has emerged as a powerful paradigm for learning representations without labeled data, often by enforcing invariance to input transformations such as rotations or blurring. Recent studies have highlighted two pivotal properties for effective representations: (i) avoiding dimensional collapse-where the learned features occupy only a low-dimensional subspace, and (ii) enhancing uniformity of the induced distribution. In this work, we introduce T-REGS, a simple regularization framework for SSL based on the length of the Minimum Spanning Tree (MST) over the learned representation. We provide theoretical analysis demonstrating that T-REGS simultaneously mitigates dimensional collapse and promotes distribution uniformity on arbitrary compact Riemannian manifolds. Several experiments on synthetic data and on classical SSL benchmarks validate the effectiveness of our approach at enhancing representation quality.

Source separation involves the ill-posed problem of retrieving a set of source signals that have been observed through a mixing operator. Solving this problem requires prior knowledge, which is commonly incorporated by imposing regularity conditions on the source signals, or implicitly learned through supervised or unsupervised methods from existing data. While data-driven methods have shown great promise in source separation, they often require large amounts of data, which rarely exists in planetary space missions. To address this challenge, we propose an unsupervised source separation scheme for domains with limited data access that involves solving an optimization problem in the wavelet scattering covariance representation spacex2014an interpretable, low-dimensional representation of stationary processes. We present a real-data example in which we remove transient, thermally-induced microtiltsx2014known as glitchesx2014from data recorded by a seismometer during NASA's InSight mission on Mars. Thanks to the wavelet scattering covariances' ability to capture non-Gaussian properties of stochastic processes, we are able to separate glitches using only a few glitch-free data snippets.

The development of state-of-the-art (SOTA) Natural Language Processing (NLP) systems has steadily been establishing new techniques to absorb the statistics of linguistic data. These techniques often trace well-known constructs from traditional theories, and we study these connections to close gaps around key NLP methods as a means to orient future work. For this, we introduce an analytic model of the statistics learned by seminal algorithms (including GloVe and Word2Vec), and derive insights for systems that use these algorithms and the statistics of co-occurrence, in general. In this work, we derive -- to the best of our knowledge -- the first known solution to Word2Vec's softmax-optimized, skip-gram algorithm. This result presents exciting potential for future development as a direct solution to a deep learning (DL) language model's (LM's) matrix factorization. However, we use the solution to demonstrate a seemingly-universal existence of a property that word vectors exhibit and which allows for the prophylactic discernment of biases in data -- prior to their absorption by DL models. To qualify our work, we conduct an analysis of independence, i.e., on the density of statistical dependencies in co-occurrence models, which in turn renders insights on the distributional hypothesis' partial fulfillment by co-occurrence statistics.

Privacy-preserving machine learning algorithms are crucial for the increasingly common setting in which personal data, such as medical or financial records, are analyzed. We provide general techniques to produce privacy-preserving approximations of classifiers learned via (regularized) empirical risk minimization (ERM). These algorithms are private under the ε-differential privacy definition due to Dwork et al. (2006). First we apply the output perturbation ideas of Dwork et al. (2006), to ERM classification. Then we propose a new method, objective perturbation, for privacy-preserving machine learning algorithm design. This method entails perturbing the objective function before optimizing over classifiers. If the loss and regularizer satisfy certain convexity and differentiability criteria, we prove theoretical results showing that our algorithms preserve privacy, and provide generalization bounds for linear and nonlinear kernels. We further present a privacy-preserving technique for tuning the parameters in general machine learning algorithms, thereby providing end-to-end privacy guarantees for the training process. We apply these results to produce privacy-preserving analogues of regularized logistic regression and support vector machines. We obtain encouraging results from evaluating their performance on real demographic and benchmark data sets. Our results show that both theoretically and empirically, objective perturbation is superior to the previous state-of-the-art, output perturbation, in managing the inherent tradeoff between privacy and learning performance.

We show how to obtain improved active learning methods in the agnostic (adversarial noise) setting by combining marginal leverage score sampling with non-independent sampling strategies that promote spatial coverage. In particular, we propose an easily implemented method based on the pivotal sampling algorithm, which we test on problems motivated by learning-based methods for parametric PDEs and uncertainty quantification. In comparison to independent sampling, our method reduces the number of samples needed to reach a given target accuracy by up to 50%. We support our findings with two theoretical results. First, we show that any non-independent leverage score sampling method that obeys a weak one-sided ell_{infty} independence condition (which includes pivotal sampling) can actively learn d dimensional linear functions with O(dlog d) samples, matching independent sampling. This result extends recent work on matrix Chernoff bounds under ell_{infty} independence, and may be of interest for analyzing other sampling strategies beyond pivotal sampling. Second, we show that, for the important case of polynomial regression, our pivotal method obtains an improved bound of O(d) samples.

Since the introduction of deep learning, a wide scope of representation properties, such as decorrelation, whitening, disentanglement, rank, isotropy, and mutual information, have been studied to improve the quality of representation. However, manipulating such properties can be challenging in terms of implementational effectiveness and general applicability. To address these limitations, we propose to regularize von Neumann entropy~(VNE) of representation. First, we demonstrate that the mathematical formulation of VNE is superior in effectively manipulating the eigenvalues of the representation autocorrelation matrix. Then, we demonstrate that it is widely applicable in improving state-of-the-art algorithms or popular benchmark algorithms by investigating domain-generalization, meta-learning, self-supervised learning, and generative models. In addition, we formally establish theoretical connections with rank, disentanglement, and isotropy of representation. Finally, we provide discussions on the dimension control of VNE and the relationship with Shannon entropy. Code is available at: https://github.com/jaeill/CVPR23-VNE.

The ability to control for the kinds of information encoded in neural representation has a variety of use cases, especially in light of the challenge of interpreting these models. We present Iterative Null-space Projection (INLP), a novel method for removing information from neural representations. Our method is based on repeated training of linear classifiers that predict a certain property we aim to remove, followed by projection of the representations on their null-space. By doing so, the classifiers become oblivious to that target property, making it hard to linearly separate the data according to it. While applicable for multiple uses, we evaluate our method on bias and fairness use-cases, and show that our method is able to mitigate bias in word embeddings, as well as to increase fairness in a setting of multi-class classification.

A recurring challenge in self-supervised learning is preventing representation collapse. Existing solutions typically rely on global regularization, such as maximizing distances, decorrelating dimensions or enforcing certain distributions. We instead reinterpret representation learning as a discrete packing problem, where preserving information simplifies to maintaining injectivity. We operationalize this in Hypersolid, a method using short-range hard-ball repulsion to prevent local collisions. This constraint results in a high-separation geometric regime that preserves augmentation diversity, excelling on fine-grained and low-resolution classification tasks.

Several recent trends in machine learning theory and practice, from the design of state-of-the-art Gaussian Process to the convergence analysis of deep neural nets (DNNs) under stochastic gradient descent (SGD), have found it fruitful to study wide random neural networks. Central to these approaches are certain scaling limits of such networks. We unify these results by introducing a notion of a straightline tensor program that can express most neural network computations, and we characterize its scaling limit when its tensors are large and randomized. From our framework follows (1) the convergence of random neural networks to Gaussian processes for architectures such as recurrent neural networks, convolutional neural networks, residual networks, attention, and any combination thereof, with or without batch normalization; (2) conditions under which the gradient independence assumption -- that weights in backpropagation can be assumed to be independent from weights in the forward pass -- leads to correct computation of gradient dynamics, and corrections when it does not; (3) the convergence of the Neural Tangent Kernel, a recently proposed kernel used to predict training dynamics of neural networks under gradient descent, at initialization for all architectures in (1) without batch normalization. Mathematically, our framework is general enough to rederive classical random matrix results such as the semicircle and the Marchenko-Pastur laws, as well as recent results in neural network Jacobian singular values. We hope our work opens a way toward design of even stronger Gaussian Processes, initialization schemes to avoid gradient explosion/vanishing, and deeper understanding of SGD dynamics in modern architectures.

We show that deep neural networks (DNNs) can efficiently learn any composition of functions with bounded F_{1}-norm, which allows DNNs to break the curse of dimensionality in ways that shallow networks cannot. More specifically, we derive a generalization bound that combines a covering number argument for compositionality, and the F_{1}-norm (or the related Barron norm) for large width adaptivity. We show that the global minimizer of the regularized loss of DNNs can fit for example the composition of two functions f^{*}=hcirc g from a small number of observations, assuming g is smooth/regular and reduces the dimensionality (e.g. g could be the modulo map of the symmetries of f^{*}), so that h can be learned in spite of its low regularity. The measures of regularity we consider is the Sobolev norm with different levels of differentiability, which is well adapted to the F_{1} norm. We compute scaling laws empirically and observe phase transitions depending on whether g or h is harder to learn, as predicted by our theory.

Convolutional neural networks are capable of learning powerful representational spaces, which are necessary for tackling complex learning tasks. However, due to the model capacity required to capture such representations, they are often susceptible to overfitting and therefore require proper regularization in order to generalize well. In this paper, we show that the simple regularization technique of randomly masking out square regions of input during training, which we call cutout, can be used to improve the robustness and overall performance of convolutional neural networks. Not only is this method extremely easy to implement, but we also demonstrate that it can be used in conjunction with existing forms of data augmentation and other regularizers to further improve model performance. We evaluate this method by applying it to current state-of-the-art architectures on the CIFAR-10, CIFAR-100, and SVHN datasets, yielding new state-of-the-art results of 2.56%, 15.20%, and 1.30% test error respectively. Code is available at https://github.com/uoguelph-mlrg/Cutout

We investigate a variational method for ill-posed problems, named graphLa+Psi, which embeds a graph Laplacian operator in the regularization term. The novelty of this method lies in constructing the graph Laplacian based on a preliminary approximation of the solution, which is obtained using any existing reconstruction method Psi from the literature. As a result, the regularization term is both dependent on and adaptive to the observed data and noise. We demonstrate that graphLa+Psi is a regularization method and rigorously establish both its convergence and stability properties. We present selected numerical experiments in 2D computerized tomography, wherein we integrate the graphLa+Psi method with various reconstruction techniques Psi, including Filter Back Projection (graphLa+FBP), standard Tikhonov (graphLa+Tik), Total Variation (graphLa+TV), and a trained deep neural network (graphLa+Net). The graphLa+Psi approach significantly enhances the quality of the approximated solutions for each method Psi. Notably, graphLa+Net is outperforming, offering a robust and stable application of deep neural networks in solving inverse problems.

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.

Supervised learning can be viewed as distilling relevant information from input data into feature representations. This process becomes difficult when supervision is noisy as the distilled information might not be relevant. In fact, recent research shows that networks can easily overfit all labels including those that are corrupted, and hence can hardly generalize to clean datasets. In this paper, we focus on the problem of learning with noisy labels and introduce compression inductive bias to network architectures to alleviate this over-fitting problem. More precisely, we revisit one classical regularization named Dropout and its variant Nested Dropout. Dropout can serve as a compression constraint for its feature dropping mechanism, while Nested Dropout further learns ordered feature representations w.r.t. feature importance. Moreover, the trained models with compression regularization are further combined with Co-teaching for performance boost. Theoretically, we conduct bias-variance decomposition of the objective function under compression regularization. We analyze it for both single model and Co-teaching. This decomposition provides three insights: (i) it shows that over-fitting is indeed an issue for learning with noisy labels; (ii) through an information bottleneck formulation, it explains why the proposed feature compression helps in combating label noise; (iii) it gives explanations on the performance boost brought by incorporating compression regularization into Co-teaching. Experiments show that our simple approach can have comparable or even better performance than the state-of-the-art methods on benchmarks with real-world label noise including Clothing1M and ANIMAL-10N. Our implementation is available at https://yingyichen-cyy.github.io/CompressFeatNoisyLabels/.

Batch Normalization is a commonly used trick to improve the training of deep neural networks. These neural networks use L2 regularization, also called weight decay, ostensibly to prevent overfitting. However, we show that L2 regularization has no regularizing effect when combined with normalization. Instead, regularization has an influence on the scale of weights, and thereby on the effective learning rate. We investigate this dependence, both in theory, and experimentally. We show that popular optimization methods such as ADAM only partially eliminate the influence of normalization on the learning rate. This leads to a discussion on other ways to mitigate this issue.

We investigate methods for combining multiple self-supervised tasks--i.e., supervised tasks where data can be collected without manual labeling--in order to train a single visual representation. First, we provide an apples-to-apples comparison of four different self-supervised tasks using the very deep ResNet-101 architecture. We then combine tasks to jointly train a network. We also explore lasso regularization to encourage the network to factorize the information in its representation, and methods for "harmonizing" network inputs in order to learn a more unified representation. We evaluate all methods on ImageNet classification, PASCAL VOC detection, and NYU depth prediction. Our results show that deeper networks work better, and that combining tasks--even via a naive multi-head architecture--always improves performance. Our best joint network nearly matches the PASCAL performance of a model pre-trained on ImageNet classification, and matches the ImageNet network on NYU depth prediction.

Our work presents extensive empirical evidence that layer rotation, i.e. the evolution across training of the cosine distance between each layer's weight vector and its initialization, constitutes an impressively consistent indicator of generalization performance. In particular, larger cosine distances between final and initial weights of each layer consistently translate into better generalization performance of the final model. Interestingly, this relation admits a network independent optimum: training procedures during which all layers' weights reach a cosine distance of 1 from their initialization consistently outperform other configurations -by up to 30% test accuracy. Moreover, we show that layer rotations are easily monitored and controlled (helpful for hyperparameter tuning) and potentially provide a unified framework to explain the impact of learning rate tuning, weight decay, learning rate warmups and adaptive gradient methods on generalization and training speed. In an attempt to explain the surprising properties of layer rotation, we show on a 1-layer MLP trained on MNIST that layer rotation correlates with the degree to which features of intermediate layers have been trained.

We identify and formalize a fundamental gradient descent phenomenon resulting in a learning proclivity in over-parameterized neural networks. Gradient Starvation arises when cross-entropy loss is minimized by capturing only a subset of features relevant for the task, despite the presence of other predictive features that fail to be discovered. This work provides a theoretical explanation for the emergence of such feature imbalance in neural networks. Using tools from Dynamical Systems theory, we identify simple properties of learning dynamics during gradient descent that lead to this imbalance, and prove that such a situation can be expected given certain statistical structure in training data. Based on our proposed formalism, we develop guarantees for a novel regularization method aimed at decoupling feature learning dynamics, improving accuracy and robustness in cases hindered by gradient starvation. We illustrate our findings with simple and real-world out-of-distribution (OOD) generalization experiments.

Contrastive learning has become a cornerstone of modern representation learning, allowing training with massive unlabeled data for both task-specific and general (foundation) models. A prototypical loss in contrastive training is InfoNCE and its variants. In this work, we show that the InfoNCE objective induces Gaussian structure in representations that emerge from contrastive training. We establish this result in two complementary regimes. First, we show that under certain alignment and concentration assumptions, projections of the high-dimensional representation asymptotically approach a multivariate Gaussian distribution. Next, under less strict assumptions, we show that adding a small asymptotically vanishing regularization term that promotes low feature norm and high feature entropy leads to similar asymptotic results. We support our analysis with experiments on synthetic and CIFAR-10 datasets across multiple encoder architectures and sizes, demonstrating consistent Gaussian behavior. This perspective provides a principled explanation for commonly observed Gaussianity in contrastive representations. The resulting Gaussian model enables principled analytical treatment of learned representations and is expected to support a wide range of applications in contrastive learning.

Optimal Transport is a useful metric to compare probability distributions and to compute a pairing given a ground cost. Its entropic regularization variant (eOT) is crucial to have fast algorithms and reflect fuzzy/noisy matchings. This work focuses on Inverse Optimal Transport (iOT), the problem of inferring the ground cost from samples drawn from a coupling that solves an eOT problem. It is a relevant problem that can be used to infer unobserved/missing links, and to obtain meaningful information about the structure of the ground cost yielding the pairing. On one side, iOT benefits from convexity, but on the other side, being ill-posed, it requires regularization to handle the sampling noise. This work presents an in-depth theoretical study of the l1 regularization to model for instance Euclidean costs with sparse interactions between features. Specifically, we derive a sufficient condition for the robust recovery of the sparsity of the ground cost that can be seen as a far reaching generalization of the Lasso's celebrated Irrepresentability Condition. To provide additional insight into this condition, we work out in detail the Gaussian case. We show that as the entropic penalty varies, the iOT problem interpolates between a graphical Lasso and a classical Lasso, thereby establishing a connection between iOT and graph estimation, an important problem in ML.

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.

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.

We introduce InstaAug, a method for automatically learning input-specific augmentations from data. Previous methods for learning augmentations have typically assumed independence between the original input and the transformation applied to that input. This can be highly restrictive, as the invariances we hope our augmentation will capture are themselves often highly input dependent. InstaAug instead introduces a learnable invariance module that maps from inputs to tailored transformation parameters, allowing local invariances to be captured. This can be simultaneously trained alongside the downstream model in a fully end-to-end manner, or separately learned for a pre-trained model. We empirically demonstrate that InstaAug learns meaningful input-dependent augmentations for a wide range of transformation classes, which in turn provides better performance on both supervised and self-supervised tasks.

Penalizing the nuclear norm of a function's Jacobian encourages it to locally behave like a low-rank linear map. Such functions vary locally along only a handful of directions, making the Jacobian nuclear norm a natural regularizer for machine learning problems. However, this regularizer is intractable for high-dimensional problems, as it requires computing a large Jacobian matrix and taking its singular value decomposition. We show how to efficiently penalize the Jacobian nuclear norm using techniques tailor-made for deep learning. We prove that for functions parametrized as compositions f = g circ h, one may equivalently penalize the average squared Frobenius norm of Jg and Jh. We then propose a denoising-style approximation that avoids the Jacobian computations altogether. Our method is simple, efficient, and accurate, enabling Jacobian nuclear norm regularization to scale to high-dimensional deep learning problems. We complement our theory with an empirical study of our regularizer's performance and investigate applications to denoising and representation learning.

In this work we present a new method for the estimation of Mutual Information (MI) between random variables. Our approach is based on an original interpretation of the Girsanov theorem, which allows us to use score-based diffusion models to estimate the Kullback Leibler divergence between two densities as a difference between their score functions. As a by-product, our method also enables the estimation of the entropy of random variables. Armed with such building blocks, we present a general recipe to measure MI, which unfolds in two directions: one uses conditional diffusion process, whereas the other uses joint diffusion processes that allow simultaneous modelling of two random variables. Our results, which derive from a thorough experimental protocol over all the variants of our approach, indicate that our method is more accurate than the main alternatives from the literature, especially for challenging distributions. Furthermore, our methods pass MI self-consistency tests, including data processing and additivity under independence, which instead are a pain-point of existing methods.

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

Causal discovery with latent confounders is an important but challenging task in many scientific areas. Despite the success of some overcomplete independent component analysis (OICA) based methods in certain domains, they are computationally expensive and can easily get stuck into local optima. We notice that interestingly, by making use of higher-order cumulants, there exists a closed-form solution to OICA in specific cases, e.g., when the mixing procedure follows the One-Latent-Component structure. In light of the power of the closed-form solution to OICA corresponding to the One-Latent-Component structure, we formulate a way to estimate the mixing matrix using the higher-order cumulants, and further propose the testable One-Latent-Component condition to identify the latent variables and determine causal orders. By iteratively removing the share identified latent components, we successfully extend the results on the One-Latent-Component structure to the Multi-Latent-Component structure and finally provide a practical and asymptotically correct algorithm to learn the causal structure with latent variables. Experimental results illustrate the asymptotic correctness and effectiveness of the proposed method.

Regularization of inverse problems is of paramount importance in computational imaging. The ability of neural networks to learn efficient image representations has been recently exploited to design powerful data-driven regularizers. While state-of-the-art plug-and-play (PnP) methods rely on an implicit regularization provided by neural denoisers, alternative Bayesian approaches consider Maximum A Posteriori (MAP) estimation in the latent space of a generative model, thus with an explicit regularization. However, state-of-the-art deep generative models require a huge amount of training data compared to denoisers. Besides, their complexity hampers the optimization involved in latent MAP derivation. In this work, we first propose to use compressive autoencoders instead. These networks, which can be seen as variational autoencoders with a flexible latent prior, are smaller and easier to train than state-of-the-art generative models. As a second contribution, we introduce the Variational Bayes Latent Estimation (VBLE) algorithm, which performs latent estimation within the framework of variational inference. Thanks to a simple yet efficient parameterization of the variational posterior, VBLE allows for fast and easy (approximate) posterior sampling. Experimental results on image datasets BSD and FFHQ demonstrate that VBLE reaches similar performance as state-of-the-art PnP methods, while being able to quantify uncertainties significantly faster than other existing posterior sampling techniques. The code associated to this paper is available in https://github.com/MaudBqrd/VBLE.

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.

Since compute grows much faster than web text available for language model pre-training, we ask how one should approach pre-training under fixed data and no compute constraints. We first show that existing data-constrained approaches of increasing epoch count and parameter count eventually overfit, and we significantly improve upon such recipes by properly tuning regularization, finding that the optimal weight decay is 30times larger than standard practice. Since our regularized recipe monotonically decreases loss following a simple power law in parameter count, we estimate its best possible performance via the asymptote of its scaling law rather than the performance at a fixed compute budget. We then identify that ensembling independently trained models achieves a significantly lower loss asymptote than the regularized recipe. Our best intervention combining epoching, regularization, parameter scaling, and ensemble scaling achieves an asymptote at 200M tokens using 5.17times less data than our baseline, and our data scaling laws predict that this improvement persists at higher token budgets. We find that our data efficiency gains can be realized at much smaller parameter counts as we can distill an ensemble into a student model that is 8times smaller and retains 83% of the ensembling benefit. Finally, our interventions designed for validation loss generalize to downstream benchmarks, achieving a 9% improvement for pre-training evals and a 17.5times data efficiency improvement over continued pre-training on math mid-training data. Our results show that simple algorithmic improvements can enable significantly more data-efficient pre-training in a compute-rich future.

We provide a rigorous analysis of implicit regularization in an overparametrized tensor factorization problem beyond the lazy training regime. For matrix factorization problems, this phenomenon has been studied in a number of works. A particular challenge has been to design universal initialization strategies which provably lead to implicit regularization in gradient-descent methods. At the same time, it has been argued by Cohen et. al. 2016 that more general classes of neural networks can be captured by considering tensor factorizations. However, in the tensor case, implicit regularization has only been rigorously established for gradient flow or in the lazy training regime. In this paper, we prove the first tensor result of its kind for gradient descent rather than gradient flow. We focus on the tubal tensor product and the associated notion of low tubal rank, encouraged by the relevance of this model for image data. We establish that gradient descent in an overparametrized tensor factorization model with a small random initialization exhibits an implicit bias towards solutions of low tubal rank. Our theoretical findings are illustrated in an extensive set of numerical simulations show-casing the dynamics predicted by our theory as well as the crucial role of using a small random initialization.

Sparse Autoencoders (SAEs) have shown promise in improving the interpretability of neural network activations, but can learn features that are not features of the input, limiting their effectiveness. We propose Mutual Feature Regularization (MFR), a regularization technique for improving feature learning by encouraging SAEs trained in parallel to learn similar features. We motivate MFR by showing that features learned by multiple SAEs are more likely to correlate with features of the input. By training on synthetic data with known features of the input, we show that MFR can help SAEs learn those features, as we can directly compare the features learned by the SAE with the input features for the synthetic data. We then scale MFR to SAEs that are trained to denoise electroencephalography (EEG) data and SAEs that are trained to reconstruct GPT-2 Small activations. We show that MFR can improve the reconstruction loss of SAEs by up to 21.21\% on GPT-2 Small, and 6.67\% on EEG data. Our results suggest that the similarity between features learned by different SAEs can be leveraged to improve SAE training, thereby enhancing performance and the usefulness of SAEs for model interpretability.

We develop a novel theoretical framework for understating OT schemes respecting a class structure. For this purpose, we propose a convex OT program with a sum-of-norms regularization term, which provably recovers the underlying class structure under geometric assumptions. Furthermore, we derive an accelerated proximal algorithm with a closed-form projection and proximal operator scheme, thereby affording a more scalable algorithm for computing optimal transport plans. We provide a novel argument for the uniqueness of the optimum even in the absence of strong convexity. Our experiments show that the new regularizer not only results in a better preservation of the class structure in the data but also yields additional robustness to the data geometry, compared to previous regularizers.

We present a new method of self-supervised learning and knowledge distillation based on the multi-views and multi-representations (MV-MR). The MV-MR is based on the maximization of dependence between learnable embeddings from augmented and non-augmented views, jointly with the maximization of dependence between learnable embeddings from augmented view and multiple non-learnable representations from non-augmented view. We show that the proposed method can be used for efficient self-supervised classification and model-agnostic knowledge distillation. Unlike other self-supervised techniques, our approach does not use any contrastive learning, clustering, or stop gradients. MV-MR is a generic framework allowing the incorporation of constraints on the learnable embeddings via the usage of image multi-representations as regularizers. Along this line, knowledge distillation is considered a particular case of such a regularization. MV-MR provides the state-of-the-art performance on the STL10 and ImageNet-1K datasets among non-contrastive and clustering-free methods. We show that a lower complexity ResNet50 model pretrained using proposed knowledge distillation based on the CLIP ViT model achieves state-of-the-art performance on STL10 linear evaluation. The code is available at: https://github.com/vkinakh/mv-mr

This paper investigates the impact of loss function selection in deep unfolding techniques for sparse signal recovery algorithms. Deep unfolding transforms iterative optimization algorithms into trainable lightweight neural networks by unfolding their iterations as network layers, with various loss functions employed for parameter learning depending on application contexts. We focus on deep unfolded versions of the fundamental iterative shrinkage thresholding algorithm (ISTA) and the iterative hard thresholding algorithm (IHT), comparing supervised learning using mean squared error with unsupervised learning using the objective function of the original optimization problem. Our simulation results reveal that the effect of the choice of loss function significantly depends on the convexity of the optimization problem. For convex ell_1-regularized problems, supervised-ISTA achieves better final recovery accuracy but fails to minimize the original objective function, whereas we empirically observe that unsupervised-ISTA converges to a nearly identical solution as conventional ISTA but with accelerated convergence. Conversely, for nonconvex ell_0-regularized problems, both supervised-IHT and unsupervised-IHT converge to better local minima than the original IHT, showing similar performance regardless of the loss function employed. These findings provide valuable insights into the design of effective deep unfolded networks for sparse signal recovery applications.

Spectral methods are popular in detecting global structures in the given data that can be represented as a matrix. However when the data matrix is sparse or noisy, classic spectral methods usually fail to work, due to localization of eigenvectors (or singular vectors) induced by the sparsity or noise. In this work, we propose a general method to solve the localization problem by learning a regularization matrix from the localized eigenvectors. Using matrix perturbation analysis, we demonstrate that the learned regularizations suppress down the eigenvalues associated with localized eigenvectors and enable us to recover the informative eigenvectors representing the global structure. We show applications of our method in several inference problems: community detection in networks, clustering from pairwise similarities, rank estimation and matrix completion problems. Using extensive experiments, we illustrate that our method solves the localization problem and works down to the theoretical detectability limits in different kinds of synthetic data. This is in contrast with existing spectral algorithms based on data matrix, non-backtracking matrix, Laplacians and those with rank-one regularizations, which perform poorly in the sparse case with noise.

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

We propose a new bound for generalization of neural networks using Koopman operators. Whereas most of existing works focus on low-rank weight matrices, we focus on full-rank weight matrices. Our bound is tighter than existing norm-based bounds when the condition numbers of weight matrices are small. Especially, it is completely independent of the width of the network if the weight matrices are orthogonal. Our bound does not contradict to the existing bounds but is a complement to the existing bounds. As supported by several existing empirical results, low-rankness is not the only reason for generalization. Furthermore, our bound can be combined with the existing bounds to obtain a tighter bound. Our result sheds new light on understanding generalization of neural networks with full-rank weight matrices, and it provides a connection between operator-theoretic analysis and generalization of neural networks.

We establish a fundamental connection between optimal structure learning and optimal conditional independence testing by showing that the minimax optimal rate for structure learning problems is determined by the minimax rate for conditional independence testing in these problems. This is accomplished by establishing a general reduction between these two problems in the case of poly-forests, and demonstrated by deriving optimal rates for several examples, including Bernoulli, Gaussian and nonparametric models. Furthermore, we show that the optimal algorithm in these settings is a suitable modification of the PC algorithm. This theoretical finding provides a unified framework for analyzing the statistical complexity of structure learning through the lens of minimax testing.

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.

The technique of data augmentation (DA) is often used in machine learning for regularization purposes to better generalize under i.i.d. settings. In this work, we present a unifying framework with topics in causal inference to make a case for the use of DA beyond just the i.i.d. setting, but for generalization across interventions as well. Specifically, we argue that when the outcome generating mechanism is invariant to our choice of DA, then such augmentations can effectively be thought of as interventions on the treatment generating mechanism itself. This can potentially help to reduce bias in causal effect estimation arising from hidden confounders. In the presence of such unobserved confounding we typically make use of instrumental variables (IVs) -- sources of treatment randomization that are conditionally independent of the outcome. However, IVs may not be as readily available as DA for many applications, which is the main motivation behind this work. By appropriately regularizing IV based estimators, we introduce the concept of IV-like (IVL) regression for mitigating confounding bias and improving predictive performance across interventions even when certain IV properties are relaxed. Finally, we cast parameterized DA as an IVL regression problem and show that when used in composition can simulate a worst-case application of such DA, further improving performance on causal estimation and generalization tasks beyond what simple DA may offer. This is shown both theoretically for the population case and via simulation experiments for the finite sample case using a simple linear example. We also present real data experiments to support our case.

Deep neural networks with millions of parameters are at the heart of many state of the art machine learning models today. However, recent works have shown that models with much smaller number of parameters can also perform just as well. In this work, we introduce the problem of architecture-learning, i.e; learning the architecture of a neural network along with weights. We introduce a new trainable parameter called tri-state ReLU, which helps in eliminating unnecessary neurons. We also propose a smooth regularizer which encourages the total number of neurons after elimination to be small. The resulting objective is differentiable and simple to optimize. We experimentally validate our method on both small and large networks, and show that it can learn models with a considerably small number of parameters without affecting prediction accuracy.

Regularization is a set of techniques that are used to improve the generalization ability of deep neural networks. In this paper, we introduce weight compander (WC), a novel effective method to improve generalization by reparameterizing each weight in deep neural networks using a nonlinear function. It is a general, intuitive, cheap and easy to implement method, which can be combined with various other regularization techniques. Large weights in deep neural networks are a sign of a more complex network that is overfitted to the training data. Moreover, regularized networks tend to have a greater range of weights around zero with fewer weights centered at zero. We introduce a weight reparameterization function which is applied to each weight and implicitly reduces overfitting by restricting the magnitude of the weights while forcing them away from zero at the same time. This leads to a more democratic decision-making in the network. Firstly, individual weights cannot have too much influence in the prediction process due to the restriction of their magnitude. Secondly, more weights are used in the prediction process, since they are forced away from zero during the training. This promotes the extraction of more features from the input data and increases the level of weight redundancy, which makes the network less sensitive to statistical differences between training and test data. We extend our method to learn the hyperparameters of the introduced weight reparameterization function. This avoids hyperparameter search and gives the network the opportunity to align the weight reparameterization with the training progress. We show experimentally that using weight compander in addition to standard regularization methods improves the performance of neural networks.

Finding interpretable directions in language-model representations is critical for understanding and controlling model behavior. Sparse autoencoders (SAEs) have become the standard tool for this purpose, but using them as the default first lens often requires training, storing, and evaluating large overcomplete dictionaries. This bottleneck limits rapid exploration and raises a fundamental question: how much interpretable structure is already visible from activation geometry before training another neural dictionary? Our intuition is simple: many interpretable directions are selective on tokens, and these directions should look less Gaussian than random directions. We therefore revisit independent component analysis (ICA), a classical method for finding non-Gaussian directions, as a compact lens for language-model interpretability. We find that ICA has been underestimated for LLM interpretability, because prior uses often relied on off-the-shelf ICA implementations that are brittle on LLM activations and lacked systematic tools for inspecting and evaluating the recovered directions. To bridge these gaps, we introduce ICALens, the first practical workflow for stable, efficient, and auditable ICA analysis of LLM representations. It combines an optimized GPU-parallel FastICA pipeline with LLM-specific stability recipes and better fitting diagnostics, enabling efficient and reliable layer-wise analysis. Across GPT-2 Small, Gemma 2 2B, and Qwen 3.5 2B Base, ICALens efficiently recovers compact, human-interpretable directions without per-layer gradient-based dictionary training. On SAEBench, ICA is competitive with public SAEs in sparse probing and outperforms them in targeted probe perturbation under small-to-medium budgets. These results suggest that ICA should not be viewed as a weak baseline, but as an efficient and complementary first lens for exploring language-model representations.

We frame the problem of unifying representations in neural models as one of sparse model recovery and introduce a framework that extends sparse autoencoders (SAEs) to lifted spaces and infinite-dimensional function spaces, enabling mechanistic interpretability of large neural operators (NO). While the Platonic Representation Hypothesis suggests that neural networks converge to similar representations across architectures, the representational properties of neural operators remain underexplored despite their growing importance in scientific computing. We compare the inference and training dynamics of SAEs, lifted-SAE, and SAE neural operators. We highlight how lifting and operator modules introduce beneficial inductive biases, enabling faster recovery, improved recovery of smooth concepts, and robust inference across varying resolutions, a property unique to neural operators.

This paper introduces Least Volume-a simple yet effective regularization inspired by geometric intuition-that can reduce the necessary number of latent dimensions needed by an autoencoder without requiring any prior knowledge of the intrinsic dimensionality of the dataset. We show that the Lipschitz continuity of the decoder is the key to making it work, provide a proof that PCA is just a linear special case of it, and reveal that it has a similar PCA-like importance ordering effect when applied to nonlinear models. We demonstrate the intuition behind the regularization on some pedagogical toy problems, and its effectiveness on several benchmark problems, including MNIST, CIFAR-10 and CelebA.

Understanding when learning is statistically possible yet computationally hard is a central challenge in high-dimensional statistics. In this work, we investigate this question in the context of single- and multi-index models, classes of functions widely studied as benchmarks to probe the ability of machine learning methods to discover features in high-dimensional data. Our main contribution is to show that a Noise Sensitivity Exponent (NSE) - a simple quantity determined by the activation function - governs the existence and magnitude of statistical-to-computational gaps within a broad regime of these models. We first establish that, in single-index models with large additive noise, the onset of a computational bottleneck is fully characterized by the NSE. We then demonstrate that the same exponent controls a statistical-computational gap in the specialization transition of large separable multi-index models, where individual components become learnable. Finally, in hierarchical multi-index models, we show that the NSE governs the optimal computational rate in which different directions are sequentially learned. Taken together, our results identify the NSE as a unifying property linking noise robustness, computational hardness, and feature specialization in high-dimensional learning.

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

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.

Dropout is a widely utilized regularization technique in the training of neural networks, nevertheless, its underlying mechanism and its impact on achieving good generalization abilities remain poorly understood. In this work, we derive the stochastic modified equations for analyzing the dynamics of dropout, where its discrete iteration process is approximated by a class of stochastic differential equations. In order to investigate the underlying mechanism by which dropout facilitates the identification of flatter minima, we study the noise structure of the derived stochastic modified equation for dropout. By drawing upon the structural resemblance between the Hessian and covariance through several intuitive approximations, we empirically demonstrate the universal presence of the inverse variance-flatness relation and the Hessian-variance relation, throughout the training process of dropout. These theoretical and empirical findings make a substantial contribution to our understanding of the inherent tendency of dropout to locate flatter minima.

Imposing orthogonality on the layers of neural networks is known to facilitate the learning by limiting the exploding/vanishing of the gradient; decorrelate the features; improve the robustness. This paper studies the theoretical properties of orthogonal convolutional layers.We establish necessary and sufficient conditions on the layer architecture guaranteeing the existence of an orthogonal convolutional transform. The conditions prove that orthogonal convolutional transforms exist for almost all architectures used in practice for 'circular' padding.We also exhibit limitations with 'valid' boundary conditions and 'same' boundary conditions with zero-padding.Recently, a regularization term imposing the orthogonality of convolutional layers has been proposed, and impressive empirical results have been obtained in different applications (Wang et al. 2020).The second motivation of the present paper is to specify the theory behind this.We make the link between this regularization term and orthogonality measures. In doing so, we show that this regularization strategy is stable with respect to numerical and optimization errors and that, in the presence of small errors and when the size of the signal/image is large, the convolutional layers remain close to isometric.The theoretical results are confirmed with experiments and the landscape of the regularization term is studied. Experiments on real data sets show that when orthogonality is used to enforce robustness, the parameter multiplying the regularization termcan be used to tune a tradeoff between accuracy and orthogonality, for the benefit of both accuracy and robustness.Altogether, the study guarantees that the regularization proposed in Wang et al. (2020) is an efficient, flexible and stable numerical strategy to learn orthogonal convolutional layers.

The Information Bottleneck (IB) method frequently suffers from unstable optimization, characterized by abrupt representation shifts near critical points of the IB trade-off parameter, beta. In this paper, I introduce a novel approach to achieve stable and convex IB optimization through symbolic continuation and entropy-regularized trajectories. I analytically prove convexity and uniqueness of the IB solution path when an entropy regularization term is included, and demonstrate how this stabilizes representation learning across a wide range of eta values. Additionally, I provide extensive sensitivity analyses around critical points (beta) with statistically robust uncertainty quantification (95% confidence intervals). The open-source implementation, experimental results, and reproducibility framework included in this work offer a clear path for practical deployment and future extension of my proposed method.

Neural networks require a careful design in order to perform properly on a given task. In particular, selecting a good activation function (possibly in a data-dependent fashion) is a crucial step, which remains an open problem in the research community. Despite a large amount of investigations, most current implementations simply select one fixed function from a small set of candidates, which is not adapted during training, and is shared among all neurons throughout the different layers. However, neither two of these assumptions can be supposed optimal in practice. In this paper, we present a principled way to have data-dependent adaptation of the activation functions, which is performed independently for each neuron. This is achieved by leveraging over past and present advances on cubic spline interpolation, allowing for local adaptation of the functions around their regions of use. The resulting algorithm is relatively cheap to implement, and overfitting is counterbalanced by the inclusion of a novel damping criterion, which penalizes unwanted oscillations from a predefined shape. Experimental results validate the proposal over two well-known benchmarks.

Gradients can be employed for sensitivity analysis. Here, we leverage the advantages of the Loss Landscape to comprehend which independent variables impact the dependent variable. We seek to grasp the loss landscape by utilizing first, second, and third derivatives through automatic differentiation. we know that Spearman's rank correlation coefficient can detect the monotonic relationship between two variables. However, I have found that second-order gradients, with certain configurations and parameters, provide information that can be visualized similarly to Spearman results, In this approach, we incorporate a loss function with an activation function, resulting in a non-linear pattern. Each exploration of the loss landscape through retraining yields new valuable information. Furthermore, the first and third derivatives are also beneficial, as they indicate the extent to which independent variables influence the dependent variable.

This paper investigates the distinctions between gradient methods applied to non-differentiable functions (NGDMs) and classical gradient descents (GDs) designed for differentiable functions. First, we demonstrate significant differences in the convergence properties of NGDMs compared to GDs, challenging the applicability of the extensive neural network convergence literature based on L-smoothness to non-smooth neural networks. Next, we demonstrate the paradoxical nature of NGDM solutions for L_{1}-regularized problems, showing that increasing the regularization penalty leads to an increase in the L_{1} norm of optimal solutions in NGDMs. Consequently, we show that widely adopted L_{1} penalization-based techniques for network pruning do not yield expected results. Finally, we explore the Edge of Stability phenomenon, indicating its inapplicability even to Lipschitz continuous convex differentiable functions, leaving its relevance to non-convex non-differentiable neural networks inconclusive. Our analysis exposes misguided interpretations of NGDMs in widely referenced papers and texts due to an overreliance on strong smoothness assumptions, emphasizing the necessity for a nuanced understanding of foundational assumptions in the analysis of these systems.

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

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

Self-distillation (SD) is the process of retraining a student on a mixture of ground-truth labels and the teacher's own predictions using the same architecture and training data. Although SD has been empirically shown to often improve generalization, its formal guarantees remain limited. We study SD for ridge regression in unconstrained setting in which the mixing weight ξ may be outside the unit interval. Conditioned on the training data and without any distributional assumptions, we prove that for any squared prediction risk (including out-of-distribution), the optimally mixed student strictly improves upon the ridge teacher for every regularization level λ> 0 at which the teacher ridge risk R(λ) is nonstationary (i.e., R'(λ) neq 0). We obtain a closed-form expression for the optimal mixing weight ξ^star(λ) for any value of λ and show that it obeys the sign rule: sign(ξ^star(λ))=-sign(R'(λ)). In particular, ξ^star(λ) can be negative, which is the case in over-regularized regimes. To quantify the risk improvement due to SD, we derive exact deterministic equivalents for the optimal SD risk in the proportional asymptotics regime (where the sample and feature sizes n and p both diverge but their aspect ratio p/n converges) under general anisotropic covariance and deterministic signals. Our asymptotic analysis extends standard second-order ridge deterministic equivalents to their fourth-order analogs using block linearization, which may be of independent interest. From a practical standpoint, we propose a consistent one-shot tuning method to estimate ξ^star without grid search, sample splitting, or refitting. Experiments on real-world datasets and pretrained neural network features support our theory and the one-shot tuning method.

This paper focuses on the development of a space-variant regularization model for solving an under-determined linear inverse problem. The case study is a medical image reconstruction from few-view tomographic noisy data. The primary objective of the proposed optimization model is to achieve a good balance between denoising and the preservation of fine details and edges, overcoming the performance of the popular and largely used Total Variation (TV) regularization through the application of appropriate pixel-dependent weights. The proposed strategy leverages the role of gradient approximations for the computation of the space-variant TV weights. For this reason, a convolutional neural network is designed, to approximate both the ground truth image and its gradient using an elastic loss function in its training. Additionally, the paper provides a theoretical analysis of the proposed model, showing the uniqueness of its solution, and illustrates a Chambolle-Pock algorithm tailored to address the specific problem at hand. This comprehensive framework integrates innovative regularization techniques with advanced neural network capabilities, demonstrating promising results in achieving high-quality reconstructions from low-sampled tomographic data.

Despite their remarkable effectiveness and broad application, the drivers of success underlying ensembles of trees are still not fully understood. In this paper, we highlight how interpreting tree ensembles as adaptive and self-regularizing smoothers can provide new intuition and deeper insight to this topic. We use this perspective to show that, when studied as smoothers, randomized tree ensembles not only make predictions that are quantifiably more smooth than the predictions of the individual trees they consist of, but also further regulate their smoothness at test-time based on the dissimilarity between testing and training inputs. First, we use this insight to revisit, refine and reconcile two recent explanations of forest success by providing a new way of quantifying the conjectured behaviors of tree ensembles objectively by measuring the effective degree of smoothing they imply. Then, we move beyond existing explanations for the mechanisms by which tree ensembles improve upon individual trees and challenge the popular wisdom that the superior performance of forests should be understood as a consequence of variance reduction alone. We argue that the current high-level dichotomy into bias- and variance-reduction prevalent in statistics is insufficient to understand tree ensembles -- because the prevailing definition of bias does not capture differences in the expressivity of the hypothesis classes formed by trees and forests. Instead, we show that forests can improve upon trees by three distinct mechanisms that are usually implicitly entangled. In particular, we demonstrate that the smoothing effect of ensembling can reduce variance in predictions due to noise in outcome generation, reduce variability in the quality of the learned function given fixed input data and reduce potential bias in learnable functions by enriching the available hypothesis space.

Suppose Alice trains an open-weight language model and Bob uses a blackbox derivative of Alice's model to produce text. Can Alice prove that Bob is using her model, either by querying Bob's derivative model (query setting) or from the text alone (observational setting)? We formulate this question as an independence testing problem--in which the null hypothesis is that Bob's model or text is independent of Alice's randomized training run--and investigate it through the lens of palimpsestic memorization in language models: models are more likely to memorize data seen later in training, so we can test whether Bob is using Alice's model using test statistics that capture correlation between Bob's model or text and the ordering of training examples in Alice's training run. If Alice has randomly shuffled her training data, then any significant correlation amounts to exactly quantifiable statistical evidence against the null hypothesis, regardless of the composition of Alice's training data. In the query setting, we directly estimate (via prompting) the likelihood Bob's model gives to Alice's training examples and order; we correlate the likelihoods of over 40 fine-tunes of various Pythia and OLMo base models ranging from 1B to 12B parameters with the base model's training data order, achieving a p-value on the order of at most 1e-8 in all but six cases. In the observational setting, we try two approaches based on estimating 1) the likelihood of Bob's text overlapping with spans of Alice's training examples and 2) the likelihood of Bob's text with respect to different versions of Alice's model we obtain by repeating the last phase (e.g., 1%) of her training run on reshuffled data. The second approach can reliably distinguish Bob's text from as little as a few hundred tokens; the first does not involve any retraining but requires many more tokens (several hundred thousand) to achieve high power.

Sparse linear models are one of several core tools for interpretable machine learning, a field of emerging importance as predictive models permeate decision-making in many domains. Unfortunately, sparse linear models are far less flexible as functions of their input features than black-box models like deep neural networks. With this capability gap in mind, we study a not-uncommon situation where the input features dichotomize into two groups: explanatory features, which are candidates for inclusion as variables in an interpretable model, and contextual features, which select from the candidate variables and determine their effects. This dichotomy leads us to the contextual lasso, a new statistical estimator that fits a sparse linear model to the explanatory features such that the sparsity pattern and coefficients vary as a function of the contextual features. The fitting process learns this function nonparametrically via a deep neural network. To attain sparse coefficients, we train the network with a novel lasso regularizer in the form of a projection layer that maps the network's output onto the space of ell_1-constrained linear models. An extensive suite of experiments on real and synthetic data suggests that the learned models, which remain highly transparent, can be sparser than the regular lasso without sacrificing the predictive power of a standard deep neural network.

We consider the problem of learning a target function corresponding to a single hidden layer neural network, with a quadratic activation function after the first layer, and random weights. We consider the asymptotic limit where the input dimension and the network width are proportionally large. Recent work [Cui & al '23] established that linear regression provides Bayes-optimal test error to learn such a function when the number of available samples is only linear in the dimension. That work stressed the open challenge of theoretically analyzing the optimal test error in the more interesting regime where the number of samples is quadratic in the dimension. In this paper, we solve this challenge for quadratic activations and derive a closed-form expression for the Bayes-optimal test error. We also provide an algorithm, that we call GAMP-RIE, which combines approximate message passing with rotationally invariant matrix denoising, and that asymptotically achieves the optimal performance. Technically, our result is enabled by establishing a link with recent works on optimal denoising of extensive-rank matrices and on the ellipsoid fitting problem. We further show empirically that, in the absence of noise, randomly-initialized gradient descent seems to sample the space of weights, leading to zero training loss, and averaging over initialization leads to a test error equal to the Bayes-optimal one.

This paper studies defense mechanisms against model inversion (MI) attacks -- a type of privacy attacks aimed at inferring information about the training data distribution given the access to a target machine learning model. Existing defense mechanisms rely on model-specific heuristics or noise injection. While being able to mitigate attacks, existing methods significantly hinder model performance. There remains a question of how to design a defense mechanism that is applicable to a variety of models and achieves better utility-privacy tradeoff. In this paper, we propose the Mutual Information Regularization based Defense (MID) against MI attacks. The key idea is to limit the information about the model input contained in the prediction, thereby limiting the ability of an adversary to infer the private training attributes from the model prediction. Our defense principle is model-agnostic and we present tractable approximations to the regularizer for linear regression, decision trees, and neural networks, which have been successfully attacked by prior work if not attached with any defenses. We present a formal study of MI attacks by devising a rigorous game-based definition and quantifying the associated information leakage. Our theoretical analysis sheds light on the inefficacy of DP in defending against MI attacks, which has been empirically observed in several prior works. Our experiments demonstrate that MID leads to state-of-the-art performance for a variety of MI attacks, target models and datasets.

Contrastive methods have led a recent surge in the performance of self-supervised representation learning (SSL). Recent methods like BYOL or SimSiam purportedly distill these contrastive methods down to their essence, removing bells and whistles, including the negative examples, that do not contribute to downstream performance. These "non-contrastive" methods work surprisingly well without using negatives even though the global minimum lies at trivial collapse. We empirically analyze these non-contrastive methods and find that SimSiam is extraordinarily sensitive to dataset and model size. In particular, SimSiam representations undergo partial dimensional collapse if the model is too small relative to the dataset size. We propose a metric to measure the degree of this collapse and show that it can be used to forecast the downstream task performance without any fine-tuning or labels. We further analyze architectural design choices and their effect on the downstream performance. Finally, we demonstrate that shifting to a continual learning setting acts as a regularizer and prevents collapse, and a hybrid between continual and multi-epoch training can improve linear probe accuracy by as many as 18 percentage points using ResNet-18 on ImageNet. Our project page is at https://alexanderli.com/noncontrastive-ssl/.

What do auto-encoders learn about the underlying data generating distribution? Recent work suggests that some auto-encoder variants do a good job of capturing the local manifold structure of data. This paper clarifies some of these previous observations by showing that minimizing a particular form of regularized reconstruction error yields a reconstruction function that locally characterizes the shape of the data generating density. We show that the auto-encoder captures the score (derivative of the log-density with respect to the input). It contradicts previous interpretations of reconstruction error as an energy function. Unlike previous results, the theorems provided here are completely generic and do not depend on the parametrization of the auto-encoder: they show what the auto-encoder would tend to if given enough capacity and examples. These results are for a contractive training criterion we show to be similar to the denoising auto-encoder training criterion with small corruption noise, but with contraction applied on the whole reconstruction function rather than just encoder. Similarly to score matching, one can consider the proposed training criterion as a convenient alternative to maximum likelihood because it does not involve a partition function. Finally, we show how an approximate Metropolis-Hastings MCMC can be setup to recover samples from the estimated distribution, and this is confirmed in sampling experiments.

Disentangled representations, where the higher level data generative factors are reflected in disjoint latent dimensions, offer several benefits such as ease of deriving invariant representations, transferability to other tasks, interpretability, etc. We consider the problem of unsupervised learning of disentangled representations from large pool of unlabeled observations, and propose a variational inference based approach to infer disentangled latent factors. We introduce a regularizer on the expectation of the approximate posterior over observed data that encourages the disentanglement. We also propose a new disentanglement metric which is better aligned with the qualitative disentanglement observed in the decoder's output. We empirically observe significant improvement over existing methods in terms of both disentanglement and data likelihood (reconstruction quality).

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.

Most models in machine learning contain at least one hyperparameter to control for model complexity. Choosing an appropriate set of hyperparameters is both crucial in terms of model accuracy and computationally challenging. In this work we propose an algorithm for the optimization of continuous hyperparameters using inexact gradient information. An advantage of this method is that hyperparameters can be updated before model parameters have fully converged. We also give sufficient conditions for the global convergence of this method, based on regularity conditions of the involved functions and summability of errors. Finally, we validate the empirical performance of this method on the estimation of regularization constants of L2-regularized logistic regression and kernel Ridge regression. Empirical benchmarks indicate that our approach is highly competitive with respect to state of the art methods.

Many recent methods for unsupervised or self-supervised representation learning train feature extractors by maximizing an estimate of the mutual information (MI) between different views of the data. This comes with several immediate problems: For example, MI is notoriously hard to estimate, and using it as an objective for representation learning may lead to highly entangled representations due to its invariance under arbitrary invertible transformations. Nevertheless, these methods have been repeatedly shown to excel in practice. In this paper we argue, and provide empirical evidence, that the success of these methods cannot be attributed to the properties of MI alone, and that they strongly depend on the inductive bias in both the choice of feature extractor architectures and the parametrization of the employed MI estimators. Finally, we establish a connection to deep metric learning and argue that this interpretation may be a plausible explanation for the success of the recently introduced methods.

Training Deep Neural Networks is complicated by the fact that the distribution of each layer's inputs changes during training, as the parameters of the previous layers change. This slows down the training by requiring lower learning rates and careful parameter initialization, and makes it notoriously hard to train models with saturating nonlinearities. We refer to this phenomenon as internal covariate shift, and address the problem by normalizing layer inputs. Our method draws its strength from making normalization a part of the model architecture and performing the normalization for each training mini-batch. Batch Normalization allows us to use much higher learning rates and be less careful about initialization. It also acts as a regularizer, in some cases eliminating the need for Dropout. Applied to a state-of-the-art image classification model, Batch Normalization achieves the same accuracy with 14 times fewer training steps, and beats the original model by a significant margin. Using an ensemble of batch-normalized networks, we improve upon the best published result on ImageNet classification: reaching 4.9% top-5 validation error (and 4.8% test error), exceeding the accuracy of human raters.

Recent advancements have scaled neural networks to unprecedented sizes, achieving remarkable performance across a wide range of tasks. However, deploying these large-scale models on resource-constrained devices poses significant challenges due to substantial storage and computational requirements. Neural network pruning has emerged as an effective technique to mitigate these limitations by reducing model size and complexity. In this paper, we introduce an intuitive and interpretable pruning method based on activation statistics, rooted in information theory and statistical analysis. Our approach leverages the statistical properties of neuron activations to identify and remove weights with minimal contributions to neuron outputs. Specifically, we build a distribution of weight contributions across the dataset and utilize its parameters to guide the pruning process. Furthermore, we propose a Pruning-aware Training strategy that incorporates an additional regularization term to enhance the effectiveness of our pruning method. Extensive experiments on multiple datasets and network architectures demonstrate that our method consistently outperforms several baseline and state-of-the-art pruning techniques.

Neural networks are a powerful class of nonlinear functions that can be trained end-to-end on various applications. While the over-parametrization nature in many neural networks renders the ability to fit complex functions and the strong representation power to handle challenging tasks, it also leads to highly correlated neurons that can hurt the generalization ability and incur unnecessary computation cost. As a result, how to regularize the network to avoid undesired representation redundancy becomes an important issue. To this end, we draw inspiration from a well-known problem in physics -- Thomson problem, where one seeks to find a state that distributes N electrons on a unit sphere as evenly as possible with minimum potential energy. In light of this intuition, we reduce the redundancy regularization problem to generic energy minimization, and propose a minimum hyperspherical energy (MHE) objective as generic regularization for neural networks. We also propose a few novel variants of MHE, and provide some insights from a theoretical point of view. Finally, we apply neural networks with MHE regularization to several challenging tasks. Extensive experiments demonstrate the effectiveness of our intuition, by showing the superior performance with MHE regularization.

Using unlabeled data to regularize the machine learning models has demonstrated promise for improving safety and reliability in detecting out-of-distribution (OOD) data. Harnessing the power of unlabeled in-the-wild data is non-trivial due to the heterogeneity of both in-distribution (ID) and OOD data. This lack of a clean set of OOD samples poses significant challenges in learning an optimal OOD classifier. Currently, there is a lack of research on formally understanding how unlabeled data helps OOD detection. This paper bridges the gap by introducing a new learning framework SAL (Separate And Learn) that offers both strong theoretical guarantees and empirical effectiveness. The framework separates candidate outliers from the unlabeled data and then trains an OOD classifier using the candidate outliers and the labeled ID data. Theoretically, we provide rigorous error bounds from the lens of separability and learnability, formally justifying the two components in our algorithm. Our theory shows that SAL can separate the candidate outliers with small error rates, which leads to a generalization guarantee for the learned OOD classifier. Empirically, SAL achieves state-of-the-art performance on common benchmarks, reinforcing our theoretical insights. Code is publicly available at https://github.com/deeplearning-wisc/sal.

Currently, most single image dehazing models cannot run an ultra-high-resolution (UHD) image with a single GPU shader in real-time. To address the problem, we introduce the principle of infinite approximation of Taylor's theorem with the Laplace pyramid pattern to build a model which is capable of handling 4K hazy images in real-time. The N branch networks of the pyramid network correspond to the N constraint terms in Taylor's theorem. Low-order polynomials reconstruct the low-frequency information of the image (e.g. color, illumination). High-order polynomials regress the high-frequency information of the image (e.g. texture). In addition, we propose a Tucker reconstruction-based regularization term that acts on each branch network of the pyramid model. It further constrains the generation of anomalous signals in the feature space. Extensive experimental results demonstrate that our approach can not only run 4K images with haze in real-time on a single GPU (80FPS) but also has unparalleled interpretability. The developed method achieves state-of-the-art (SOTA) performance on two benchmarks (O/I-HAZE) and our updated 4KID dataset while providing the reliable groundwork for subsequent optimization schemes.

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

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

Learning compact discrete representations of data is a key task on its own or for facilitating subsequent processing of data. In this paper we present a model that produces Discrete InfoMax Codes (DIMCO); we learn a probabilistic encoder that yields k-way d-dimensional codes associated with input data. Our model's learning objective is to maximize the mutual information between codes and labels with a regularization, which enforces entries of a codeword to be as independent as possible. We show that the infomax principle also justifies previous loss functions (e.g., cross-entropy) as its special cases. Our analysis also shows that using shorter codes, as DIMCO does, reduces overfitting in the context of few-shot classification. Through experiments in various domains, we observe this implicit meta-regularization effect of DIMCO. Furthermore, we show that the codes learned by DIMCO are efficient in terms of both memory and retrieval time compared to previous methods.

We introduce a regularization loss based on kernel mean embeddings with rotation-invariant kernels on the hypersphere (also known as dot-product kernels) for self-supervised learning of image representations. Besides being fully competitive with the state of the art, our method significantly reduces time and memory complexity for self-supervised training, making it implementable for very large embedding dimensions on existing devices and more easily adjustable than previous methods to settings with limited resources. Our work follows the major paradigm where the model learns to be invariant to some predefined image transformations (cropping, blurring, color jittering, etc.), while avoiding a degenerate solution by regularizing the embedding distribution. Our particular contribution is to propose a loss family promoting the embedding distribution to be close to the uniform distribution on the hypersphere, with respect to the maximum mean discrepancy pseudometric. We demonstrate that this family encompasses several regularizers of former methods, including uniformity-based and information-maximization methods, which are variants of our flexible regularization loss with different kernels. Beyond its practical consequences for state-of-the-art self-supervised learning with limited resources, the proposed generic regularization approach opens perspectives to leverage more widely the literature on kernel methods in order to improve self-supervised learning methods.

Existing techniques for model inversion typically rely on hard-to-tune regularizers, such as total variation or feature regularization, which must be individually calibrated for each network in order to produce adequate images. In this work, we introduce Plug-In Inversion, which relies on a simple set of augmentations and does not require excessive hyper-parameter tuning. Under our proposed augmentation-based scheme, the same set of augmentation hyper-parameters can be used for inverting a wide range of image classification models, regardless of input dimensions or the architecture. We illustrate the practicality of our approach by inverting Vision Transformers (ViTs) and Multi-Layer Perceptrons (MLPs) trained on the ImageNet dataset, tasks which to the best of our knowledge have not been successfully accomplished by any previous works.

Invariance learning algorithms that conditionally filter out domain-specific random variables as distractors, do so based only on the data semantics, and not the target domain under evaluation. We show that a provably optimal and sample-efficient way of learning conditional invariances is by relaxing the invariance criterion to be non-commutatively directed towards the target domain. Under domain asymmetry, i.e., when the target domain contains semantically relevant information absent in the source, the risk of the encoder varphi^* that is optimal on average across domains is strictly lower-bounded by the risk of the target-specific optimal encoder Phi^*_tau. We prove that non-commutativity steers the optimization towards Phi^*_tau instead of varphi^*, bringing the H-divergence between domains down to zero, leading to a stricter bound on the target risk. Both our theory and experiments demonstrate that non-commutative invariance (NCI) can leverage source domain samples to meet the sample complexity needs of learning Phi^*_tau, surpassing SOTA invariance learning algorithms for domain adaptation, at times by over 2%, approaching the performance of an oracle. Implementation is available at https://github.com/abhrac/nci.

Recent studies have shown that diffusion language models achieve remarkable data efficiency under limited-data constraints, yet the underlying mechanisms remain unclear. In this work, we perform extensive ablation experiments to disentangle the sources of this efficiency. Our results show that random masking of input tokens plays the dominant role. We further show that similar gains can be obtained through in MLP dropout and weight decay, indicating that stochastic regularization broadly enhances data efficiency in multi-epoch training. Our code is available at https://github.com/zitian-gao/data-efficiency.

MixUp is a recently proposed data-augmentation scheme, which linearly interpolates a random pair of training examples and correspondingly the one-hot representations of their labels. Training deep neural networks with such additional data is shown capable of significantly improving the predictive accuracy of the current art. The power of MixUp, however, is primarily established empirically and its working and effectiveness have not been explained in any depth. In this paper, we develop an understanding for MixUp as a form of "out-of-manifold regularization", which imposes certain "local linearity" constraints on the model's input space beyond the data manifold. This analysis enables us to identify a limitation of MixUp, which we call "manifold intrusion". In a nutshell, manifold intrusion in MixUp is a form of under-fitting resulting from conflicts between the synthetic labels of the mixed-up examples and the labels of original training data. Such a phenomenon usually happens when the parameters controlling the generation of mixing policies are not sufficiently fine-tuned on the training data. To address this issue, we propose a novel adaptive version of MixUp, where the mixing policies are automatically learned from the data using an additional network and objective function designed to avoid manifold intrusion. The proposed regularizer, AdaMixUp, is empirically evaluated on several benchmark datasets. Extensive experiments demonstrate that AdaMixUp improves upon MixUp when applied to the current art of deep classification models.

The generalization capability of deep neural networks has been substantially improved by applying a wide spectrum of regularization methods, e.g., restricting function space, injecting randomness during training, augmenting data, etc. In this work, we propose a simple yet effective regularization method named progressive self-knowledge distillation (PS-KD), which progressively distills a model's own knowledge to soften hard targets (i.e., one-hot vectors) during training. Hence, it can be interpreted within a framework of knowledge distillation as a student becomes a teacher itself. Specifically, targets are adjusted adaptively by combining the ground-truth and past predictions from the model itself. We show that PS-KD provides an effect of hard example mining by rescaling gradients according to difficulty in classifying examples. The proposed method is applicable to any supervised learning tasks with hard targets and can be easily combined with existing regularization methods to further enhance the generalization performance. Furthermore, it is confirmed that PS-KD achieves not only better accuracy, but also provides high quality of confidence estimates in terms of calibration as well as ordinal ranking. Extensive experimental results on three different tasks, image classification, object detection, and machine translation, demonstrate that our method consistently improves the performance of the state-of-the-art baselines. The code is available at https://github.com/lgcnsai/PS-KD-Pytorch.

Classical scaling laws for language model pretraining balance model size against training dataset size under a fixed compute budget, assuming abundant data and a single pass over the corpus. As training compute grows faster than the supply of natural language data, pretraining is likely to enter a data-constrained, compute-rich regime where models train for multiple epochs over a finite dataset. We study data-constrained pretraining along two axes, regularization and scaling. For regularization, we study masked-input regularization (MIR), an auxiliary next-token prediction loss on randomly masked inputs. MIR tests whether the random masking central to diffusion language models can benefit autoregressive pretraining without architectural changes or inference overhead. Across 72M to 1.4B parameter models, we find that MIR added on top of strong weight decay improves validation loss over autoregressive strong-weight-decay-only models, with downstream gains at 1.4B. For scaling, we propose SoftQ, a scaling law that couples model size and data size to capture their interaction under repeated data. Classical alternatives such as the Chinchilla law use an additive form that decouples these terms, making them misspecified in the data-constrained regime. We find that SoftQ fits data-constrained experiments substantially better than these alternatives, and estimates MIR's gains as equivalent to roughly 1.3 times as much unique training data. We release our code at https://github.com/yixinw-lab/dc_pretrain.

This study presents the development of a spatially adaptive weighting strategy for Total Variation regularization, aimed at addressing under-determined linear inverse problems. The method leverages the rapid computation of an accurate approximation of the true image (or its gradient magnitude) through a neural network. Our approach operates without requiring prior knowledge of the noise intensity in the data and avoids the iterative recomputation of weights. Additionally, the paper includes a theoretical analysis of the proposed method, establishing its validity as a regularization approach. This framework integrates advanced neural network capabilities within a regularization context, thereby making the results of the networks interpretable. The results are promising as they enable high-quality reconstructions from limited-view tomographic measurements.

Interference is ubiquitous when conducting causal experiments over networks. Except for certain network structures, causal inference on the network in the presence of interference is difficult due to the entanglement between the treatment assignments and the interference levels. In this article, we conduct causal inference under interference on an observed, sparse but connected network, and we propose a novel design of experiments based on an independent set. Compared to conventional designs, the independent-set design focuses on an independent subset of data and controls their interference exposures through the assignments to the rest (auxiliary set). We provide a lower bound on the size of the independent set from a greedy algorithm , and justify the theoretical performance of estimators under the proposed design. Our approach is capable of estimating both spillover effects and treatment effects. We justify its superiority over conventional methods and illustrate the empirical performance through simulations.

Single-channel audio separation aims to separate individual sources from a single-channel mixture. Most existing methods rely on supervised learning with synthetically generated paired data. However, obtaining high-quality paired data in real-world scenarios is often difficult. This data scarcity can degrade model performance under unseen conditions and limit generalization ability. To this end, in this work, we approach this problem from an unsupervised perspective, framing it as a probabilistic inverse problem. Our method requires only diffusion priors trained on individual sources. Separation is then achieved by iteratively guiding an initial state toward the solution through reconstruction guidance. Importantly, we introduce an advanced inverse problem solver specifically designed for separation, which mitigates gradient conflicts caused by interference between the diffusion prior and reconstruction guidance during inverse denoising. This design ensures high-quality and balanced separation performance across individual sources. Additionally, we find that initializing the denoising process with an augmented mixture instead of pure Gaussian noise provides an informative starting point that significantly improves the final performance. To further enhance audio prior modeling, we design a novel time-frequency attention-based network architecture that demonstrates strong audio modeling capability. Collectively, these improvements lead to significant performance gains, as validated across speech-sound event, sound event, and speech separation tasks.