arXiv subjects

Yunwen Lei

Publications and source records attributed to Yunwen Lei.

At least 19 recordsLinked to original sources

arXiv2026

Minimax-Optimal Generalization Bounds for Smooth Deep Neural Networks Trained by (Stochastic) Gradient Descent

Characterizing the optimization dynamics and statistical performance of over-parameterized deep neural networks (DNNs) remains a central challenge in understanding the remarkable success of deep learning. We establish quantitative bounds showing that kernel gradient descent in the reproducing kernel Hilbert space induced by the deterministic infinite-width neural tangent kernel approximates finite-width deep regression with smooth activations under gradient descent (GD) and stochastic gradient descent (SGD) training. The approximation gap is governed by the network width and training horizon, with an additional stochastic gradient error in the SGD case. This connection provides a general mechanism for transferring learning-theoretic guarantees from kernel methods to deep regression. As an application, under general source and effective dimension conditions, we show that both GD- and SGD-trained DNNs attain the minimax-optimal excess population risk rate, up to logarithmic factors, provided that the network width grows polynomially in the sample size. To the best of our knowledge, these are the first such guarantees for standard fully connected deep neural networks with smooth activations trained by GD and SGD.

stat.ML↗

arXiv2026

Optimal Rates for Generalization of Gradient Descent Methods with Deep Neural Networks

Recent progress has been made in understanding the statistical generalization performance of gradient descent methods for overparameterized neural networks within the neural tangent kernel (NTK) regime. However, most of the existing work on regression problems is limited to shallow network architectures, leaving a notable gap in the theory of deep neural networks. This paper addresses this gap by presenting a comprehensive generalization analysis for deep ReLU networks trained using gradient descent (GD) and stochastic gradient descent (SGD). Specifically, we establish the first known minimax-optimal rates of excess population risk for both GD and SGD with deep ReLU networks, under the assumption that the network width scales polynomially with respect to the network depth and training sample size. Our results demonstrate that with sufficient width, gradient descent methods for deep ReLU networks can achieve optimal generalization rates on par with kernel methods.

stat.ML↗

arXiv2026

Optimal Rates for Generalization of Gradient Descent for Deep ReLU Classification

Recent advances have significantly improved our understanding of the generalization performance of gradient descent (GD) methods in deep neural networks. A natural and fundamental question is whether GD can achieve generalization rates comparable to the minimax optimal rates established in the kernel setting. Existing results either yield suboptimal rates of $O(1/\sqrt{n})$, or focus on networks with smooth activation functions, incurring exponential dependence on network depth $L$. In this work, we establish optimal generalization rates for GD with deep ReLU networks by carefully trading off optimization and generalization errors, achieving only polynomial dependence on depth. Specifically, under the assumption that the data are NTK separable from the margin $γ$, we prove an excess risk rate of $\widetilde{O}(L^6 / (n γ^2))$, which aligns with the optimal SVM-type rate $\widetilde{O}(1 / (n γ^2))$ up to depth-dependent factors. A key technical contribution is our novel control of activation patterns near a reference model, enabling a sharper Rademacher complexity bound for deep ReLU networks trained with gradient descent.

cs.LG↗

arXiv2026

Learning Theory of the SVRG: Generalization and Convergence Analysis

Variance reduction (VR) methods employ stochastic gradients with decreasing variance, and they have been widely applied to solve large-scale optimization problems in machine learning because of their efficiency. Existing theoretical studies of VR methods are mainly focused on the convergence analysis, leaving the generalization behavior largely unexplored. In this paper, we bridge this gap by developing the first non-vacuous generalization analysis of the representative VR method: Stochastic Variance Reduced Gradient (SVRG), through the lens of algorithmic stability. In particular, we establish sharp stability bounds of the SVRG in both convex and strongly convex settings by exploiting its algorithmic structure. The obtained bounds are data-dependent, because the training errors are incorporated along the trajectory. Our analysis clarifies the interplay between optimization and generalization, leading to optimal excess population risk bounds in both settings. Our approach differs substantially from existing analyses of stochastic algorithms in the sense that we decompose the SVRG update as an SGD-like step plus a zero-mean correction term and then introduce novel Lyapunov functions to absorb the additional gradient terms induced by the reference points. Our analytical framework can be generalized to other VR methods, and we demonstrate the generalization by the well-known Stochastic Average Gradient Accelerated (SAGA) method.

cs.LG↗

arXiv2026

Stochastic Gradient Descent with Momentum is Algorithmically Stable

Stochastic gradient descent with momentum (SGDM) is one of the most widely used optimization algorithms in machine learning. While optimization properties of SGDM have been extensively studied in the literature, it remains insufficiently understood whether and when SGDM can generalize well to unseen data. In particular, it has been conjectured that while momentum accelerates training, it may degrade generalization. In this paper, we close this gap by developing a comprehensive generalization analysis of SGDM through the lens of algorithmic stability. More specifically, we introduce a generalized SGDM framework that encompasses both Polyak's and Nesterov's momentum schemes, and establish tight on-average model stability bounds for smooth and convex problems. Notably, the obtained bounds exploit small optimization error bounds along the trajectory, apply to any momentum parameter in the interval $[0, 1)$, and do not require the commonly assumed Lipschitzness of loss functions. We further derive optimization error bounds for the generalized SGDM, and combine them with our generalization analyses to obtain optimal excess population risk bounds for SGDM with both Polyak's and Nesterov's momentum.

cs.LG↗

arXiv2026

Towards Initialization-dependent and Non-vacuous Generalization Bounds for Overparameterized Shallow Neural Networks

Overparameterized neural networks often show a benign overfitting property in the sense of achieving excellent generalization behavior despite the number of parameters exceeding the number of training examples. A promising direction to explain benign overfitting is to relate generalization to the norm of distance from initialization, motivated by the empirical observations that this distance is often significantly smaller than the norm itself. However, the existing initialization-dependent complexity analyses measure the distance from initialization by the Frobenius norm, and often imply vacuous bounds in practice for overparamterized models. In this paper, we develop initialization-dependent complexity bounds for shallow neural networks with general Lipschitz activation functions. Our bounds depend on the path-norm of the distance from initialization, which are derived by introducing a new peeling technique to handle the challenge along with the initialization-dependent constraint. We also develop a lower bound tight up to a constant factor. Finally, we conduct empirical comparisons and show that our generalization analysis implies non-vacuous bounds for overparameterized networks.

cs.LG↗

arXiv2026

Beyond Cross-Validation: Adaptive Parameter Selection for Kernel-Based Gradient Descents

This paper proposes a novel parameter selection strategy for kernel-based gradient descent (KGD) algorithms, integrating bias-variance analysis with the splitting method. We introduce the concept of empirical effective dimension to quantify iteration increments in KGD, deriving an adaptive parameter selection strategy that is implementable. Theoretical verifications are provided within the framework of learning theory. Utilizing the recently developed integral operator approach, we rigorously demonstrate that KGD, equipped with the proposed adaptive parameter selection strategy, achieves the optimal generalization error bound and adapts effectively to different kernels, target functions, and error metrics. Consequently, this strategy showcases significant advantages over existing parameter selection methods for KGD.

stat.ML↗

arXiv2025

Generalization Bounds for Rank-sparse Neural Networks

It has been recently observed in much of the literature that neural networks exhibit a bottleneck rank property: for larger depths, the activation and weights of neural networks trained with gradient-based methods tend to be of approximately low rank. In fact, the rank of the activations of each layer converges to a fixed value referred to as the ``bottleneck rank'', which is the minimum rank required to represent the training data. This perspective is in line with the observation that regularizing linear networks (without activations) with weight decay is equivalent to minimizing the Schatten $p$ quasi norm of the neural network. In this paper we investigate the implications of this phenomenon for generalization. More specifically, we prove generalization bounds for neural networks which exploit the approximate low rank structure of the weight matrices if present. The final results rely on the Schatten $p$ quasi norms of the weight matrices: for small $p$, the bounds exhibit a sample complexity $ \widetilde{O}(WrL^2)$ where $W$ and $L$ are the width and depth of the neural network respectively and where $r$ is the rank of the weight matrices. As $p$ increases, the bound behaves more like a norm-based bound instead.

cs.LG↗

arXiv2025

Minibatch and Local SGD: Algorithmic Stability and Linear Speedup in Generalization

The increasing scale of data propels the popularity of leveraging parallelism to speed up the optimization. Minibatch stochastic gradient descent (minibatch SGD) and local SGD are two popular methods for parallel optimization. The existing theoretical studies show a linear speedup of these methods with respect to the number of machines, which, however, is measured by optimization errors in a multi-pass setting. As a comparison, the stability and generalization of these methods are much less studied. In this paper, we study the stability and generalization analysis of minibatch and local SGD to understand their learnability by introducing an expectation-variance decomposition. We incorporate training errors into the stability analysis, which shows how small training errors help generalization for overparameterized models. We show minibatch and local SGD achieve a linear speedup to attain the optimal risk bounds.

cs.LG↗

arXiv2025

Generalization and Optimization of SGD with Lookahead

The Lookahead optimizer enhances deep learning models by employing a dual-weight update mechanism, which has been shown to improve the performance of underlying optimizers such as SGD. However, most theoretical studies focus on its convergence on training data, leaving its generalization capabilities less understood. Existing generalization analyses are often limited by restrictive assumptions, such as requiring the loss function to be globally Lipschitz continuous, and their bounds do not fully capture the relationship between optimization and generalization. In this paper, we address these issues by conducting a rigorous stability and generalization analysis of the Lookahead optimizer with minibatch SGD. We leverage on-average model stability to derive generalization bounds for both convex and strongly convex problems without the restrictive Lipschitzness assumption. Our analysis demonstrates a linear speedup with respect to the batch size in the convex setting.

cs.LG↗

arXiv2025

Randomized Pairwise Learning with Adaptive Sampling: A PAC-Bayes Analysis

We study stochastic optimization with data-adaptive sampling schemes to train pairwise learning models. Pairwise learning is ubiquitous, and it covers several popular learning tasks such as ranking, metric learning and AUC maximization. A notable difference of pairwise learning from pointwise learning is the statistical dependencies among input pairs, for which existing analyses have not been able to handle in the general setting considered in this paper. To this end, we extend recent results that blend together two algorithm-dependent frameworks of analysis -- algorithmic stability and PAC-Bayes -- which allow us to deal with any data-adaptive sampling scheme in the optimizer. We instantiate this framework to analyze (1) pairwise stochastic gradient descent, which is a default workhorse in many machine learning problems, and (2) pairwise stochastic gradient descent ascent, which is a method used in adversarial training. All of these algorithms make use of a stochastic sampling from a discrete distribution (sample indices) before each update. Non-uniform sampling of these indices has been already suggested in the recent literature, to which our work provides generalization guarantees in both smooth and non-smooth convex problems.

cs.LG↗

arXiv2025

On Discriminative Probabilistic Modeling for Self-Supervised Representation Learning

We study the discriminative probabilistic modeling on a continuous domain for the data prediction task of (multimodal) self-supervised representation learning. To address the challenge of computing the integral in the partition function for each anchor data, we leverage the multiple importance sampling (MIS) technique for robust Monte Carlo integration, which can recover InfoNCE-based contrastive loss as a special case. Within this probabilistic modeling framework, we conduct generalization error analysis to reveal the limitation of current InfoNCE-based contrastive loss for self-supervised representation learning and derive insights for developing better approaches by reducing the error of Monte Carlo integration. To this end, we propose a novel non-parametric method for approximating the sum of conditional probability densities required by MIS through convex optimization, yielding a new contrastive objective for self-supervised representation learning. Moreover, we design an efficient algorithm for solving the proposed objective. We empirically compare our algorithm to representative baselines on the contrastive image-language pretraining task. Experimental results on the CC3M and CC12M datasets demonstrate the superior overall performance of our algorithm. Our code is available at https://github.com/bokun-wang/NUCLR.

cs.LG↗

arXiv2025

Stability-based Generalization Analysis of Randomized Coordinate Descent for Pairwise Learning

Pairwise learning includes various machine learning tasks, with ranking and metric learning serving as the primary representatives. While randomized coordinate descent (RCD) is popular in various learning problems, there is much less theoretical analysis on the generalization behavior of models trained by RCD, especially under the pairwise learning framework. In this paper, we consider the generalization of RCD for pairwise learning. We measure the on-average argument stability for both convex and strongly convex objective functions, based on which we develop generalization bounds in expectation. The early-stopping strategy is adopted to quantify the balance between estimation and optimization. Our analysis further incorporates the low-noise setting into the excess risk bound to achieve the optimistic bound as $O(1/n)$, where $n$ is the sample size.

cs.LG↗

arXiv2024

Generalization Analysis for Deep Contrastive Representation Learning

In this paper, we present generalization bounds for the unsupervised risk in the Deep Contrastive Representation Learning framework, which employs deep neural networks as representation functions. We approach this problem from two angles. On the one hand, we derive a parameter-counting bound that scales with the overall size of the neural networks. On the other hand, we provide a norm-based bound that scales with the norms of neural networks' weight matrices. Ignoring logarithmic factors, the bounds are independent of $k$, the size of the tuples provided for contrastive learning. To the best of our knowledge, this property is only shared by one other work, which employed a different proof strategy and suffers from very strong exponential dependence on the depth of the network which is due to a use of the peeling technique. Our results circumvent this by leveraging powerful results on covering numbers with respect to uniform norms over samples. In addition, we utilize loss augmentation techniques to further reduce the dependency on matrix norms and the implicit dependence on network depth. In fact, our techniques allow us to produce many bounds for the contrastive learning setting with similar architectural dependencies as in the study of the sample complexity of ordinary loss functions, thereby bridging the gap between the learning theories of contrastive learning and DNNs.

stat.ML↗

arXiv2024

Bootstrap SGD: Algorithmic Stability and Robustness

In this paper some methods to use the empirical bootstrap approach for stochastic gradient descent (SGD) to minimize the empirical risk over a separable Hilbert space are investigated from the view point of algorithmic stability and statistical robustness. The first two types of approaches are based on averages and are investigated from a theoretical point of view. A generalization analysis for bootstrap SGD of Type 1 and Type 2 based on algorithmic stability is done. Another type of bootstrap SGD is proposed to demonstrate that it is possible to construct purely distribution-free pointwise confidence intervals of the median curve using bootstrap SGD.

stat.ML↗

arXiv2024

Optimizing ADMM and Over-Relaxed ADMM Parameters for Linear Quadratic Problems

The Alternating Direction Method of Multipliers (ADMM) has gained significant attention across a broad spectrum of machine learning applications. Incorporating the over-relaxation technique shows potential for enhancing the convergence rate of ADMM. However, determining optimal algorithmic parameters, including both the associated penalty and relaxation parameters, often relies on empirical approaches tailored to specific problem domains and contextual scenarios. Incorrect parameter selection can significantly hinder ADMM's convergence rate. To address this challenge, in this paper we first propose a general approach to optimize the value of penalty parameter, followed by a novel closed-form formula to compute the optimal relaxation parameter in the context of linear quadratic problems (LQPs). We then experimentally validate our parameter selection methods through random instantiations and diverse imaging applications, encompassing diffeomorphic image registration, image deblurring, and MRI reconstruction.

math.OC↗

arXiv2023

Generalization Guarantees of Gradient Descent for Multi-Layer Neural Networks

Recently, significant progress has been made in understanding the generalization of neural networks (NNs) trained by gradient descent (GD) using the algorithmic stability approach. However, most of the existing research has focused on one-hidden-layer NNs and has not addressed the impact of different network scaling parameters. In this paper, we greatly extend the previous work \cite{lei2022stability,richards2021stability} by conducting a comprehensive stability and generalization analysis of GD for multi-layer NNs. For two-layer NNs, our results are established under general network scaling parameters, relaxing previous conditions. In the case of three-layer NNs, our technical contribution lies in demonstrating its nearly co-coercive property by utilizing a novel induction strategy that thoroughly explores the effects of over-parameterization. As a direct application of our general findings, we derive the excess risk rate of $O(1/\sqrt{n})$ for GD algorithms in both two-layer and three-layer NNs. This sheds light on sufficient or necessary conditions for under-parameterized and over-parameterized NNs trained by GD to attain the desired risk rate of $O(1/\sqrt{n})$. Moreover, we demonstrate that as the scaling parameter increases or the network complexity decreases, less over-parameterization is required for GD to achieve the desired error rates. Additionally, under a low-noise condition, we obtain a fast risk rate of $O(1/n)$ for GD in both two-layer and three-layer NNs.

cs.LG↗

arXiv2023

Stability and Generalization of Stochastic Optimization with Nonconvex and Nonsmooth Problems

Stochastic optimization has found wide applications in minimizing objective functions in machine learning, which motivates a lot of theoretical studies to understand its practical success. Most of existing studies focus on the convergence of optimization errors, while the generalization analysis of stochastic optimization is much lagging behind. This is especially the case for nonconvex and nonsmooth problems often encountered in practice. In this paper, we initialize a systematic stability and generalization analysis of stochastic optimization on nonconvex and nonsmooth problems. We introduce novel algorithmic stability measures and establish their quantitative connection on the gap between population gradients and empirical gradients, which is then further extended to study the gap between the Moreau envelope of the empirical risk and that of the population risk. To our knowledge, these quantitative connection between stability and generalization in terms of either gradients or Moreau envelopes have not been studied in the literature. We introduce a class of sampling-determined algorithms, for which we develop bounds for three stability measures. Finally, we apply these discussions to derive error bounds for stochastic gradient descent and its adaptive variant, where we show how to achieve an implicit regularization by tuning the step sizes and the number of iterations.

cs.AI↗