Quantum neural networks (QNNs) play an important role as an emerging technology in the rapidly growing field of quantum machine learning. While their empirical success is evident, the theoretical explorations of QNNs, particularly their generalization properties, are less developed and primarily focus on the uniform convergence approach. In this paper, we exploit an advanced tool in classical learning theory, i.e., algorithmic stability, to study the generalization of QNNs. We first establish high-probability generalization bounds for QNNs via uniform stability. Our bounds shed light on the key factors influencing the generalization performance of QNNs and provide practical insights into both the design and training processes. We next explore the generalization of QNNs on near-term noisy intermediate-scale quantum (NISQ) devices, highlighting the potential benefits of quantum noise. Moreover, we argue that our previous analysis characterizes worst-case generalization guarantees, and we establish a refined optimization-dependent generalization bound for QNNs via on-average stability. Numerical experiments on various real-world datasets support our theoretical findings.
We explore in some detail the notion of algorithmic stability as a viable framework for analyzing the generalization error of learning algorithms. We introduce the new notion of training stability of a learning algorithm and show that, in a general setting, it is sufficient for good bounds on generalization error. In the PAC setting, training stability is both necessary and sufficient for learnability.\ The approach based on training stability makes no reference to VC dimension or VC entropy. There is no need to prove uniform convergence, and generalization error is bounded directly via an ext…
Recently there are a considerable amount of work devoted to the study of the algorithmic stability and generalization for stochastic gradient descent (SGD). However, the existing stability analysis requires to impose restrictive assumptions on the boundedness of gradients, strong smoothness and convexity of loss functions. In this paper, we provide a fine-grained analysis of stability and generalization for SGD by substantially relaxing these assumptions. Firstly, we establish stability and generalization for SGD by removing the existing bounded gradient assumptions. The key idea is the introd…
University of Illinois Urbana-Champaign（伊利诺伊大学厄巴纳-香槟分校）；University of Minnesota, Twin Cities（明尼苏达大学双城分校）
Recent years have seen advances in generalization bounds for noisy stochastic algorithms, especially stochastic gradient Langevin dynamics (SGLD) based on stability (Mou et al., 2018; Li et al., 2020) and information theoretic approaches (Xu and Raginsky, 2017; Negrea et al., 2019; Steinke and Zakynthinou, 2020). In this paper, we unify and substantially generalize stability based generalization bounds and make three technical contributions. First, we bound the generalization error in terms of expected (not uniform) stability which arguably leads to quantitatively sharper bounds. Second, as ou…
Exponential generalization bounds with near-tight rates have recently been established for uniformly stable learning algorithms. The notion of uniform stability, however, is stringent in the sense that it is invariant to the data-generating distribution. Under the weaker and distribution dependent notions of stability such as hypothesis stability and $L_2$-stability, the literature suggests that only polynomial generalization bounds are possible in general cases. The present paper addresses this long standing tension between these two regimes of results and makes progress towards relaxing it i…
Liu Bie Ju Centre for Mathematical Sciences, City University of Hong Kong（香港城市大学刘别驹数学科学中心）；School of Computer Science, University of Birmingham（伯明翰大学计算机学院）；School of Mathematics and Statistics, University of Sydney（悉尼大学数学与统计学院）；Department of Mathematics and Statistics, State University of New York at Albany（纽约州立大学奥尔巴尼分校数学与统计系）
Recently there is a large amount of work devoted to the study of Markov chain stochastic gradient methods (MC-SGMs) which mainly focus on their convergence analysis for solving minimization problems. In this paper, we provide a comprehensive generalization analysis of MC-SGMs for both minimization and minimax problems through the lens of algorithmic stability in the framework of statistical learning theory. For empirical risk minimization (ERM) problems, we establish the optimal excess population risk bounds for both smooth and non-smooth cases by introducing on-average argument stability. For…
Massachusetts Institute of Technology（麻省理工学院）；Spark Wave（火花波公司）；Google Research（谷歌研究院）；University of Southern California（南加利福尼亚大学）；Courant Institute（库朗研究所）；Cornell University（康奈尔大学）
We present a study of generalization for data-dependent hypothesis sets. We give a general learning guarantee for data-dependent hypothesis sets based on a notion of transductive Rademacher complexity. Our main result is a generalization bound for data-dependent hypothesis sets expressed in terms of a notion of hypothesis set stability and a notion of Rademacher complexity for data-dependent hypothesis sets that we introduce. This bound admits as special cases both standard Rademacher complexity bounds and algorithm-dependent uniform stability bounds. We also illustrate the use of these learni…
Feature selection, as a vital dimension reduction technique, reduces data dimension by identifying an essential subset of input features, which can facilitate interpretable insights into learning and inference processes. Algorithmic stability is a key characteristic of an algorithm regarding its sensitivity to perturbations of input samples. In this paper, we propose an innovative unsupervised feature selection algorithm attaining this stability with provable guarantees. The architecture of our algorithm consists of a feature scorer and a feature selector. The scorer trains a neural network (N…
Huazhong Agricultural University（华中农业大学）；Southern University of Science and Technology（南方科技大学）；Mohamed bin Zayed University of Artificial Intelligence（穆罕默德·本·扎耶德人工智能大学）
Triplet learning, i.e. learning from triplet data, has attracted much attention in computer vision tasks with an extremely large number of categories, e.g., face recognition and person re-identification. Albeit with rapid progress in designing and applying triplet learning algorithms, there is a lacking study on the theoretical understanding of their generalization performance. To fill this gap, this paper investigates the generalization guarantees of triplet learning by leveraging the stability analysis. Specifically, we establish the first general high-probability generalization bound for th…
University of Birmingham（伯明翰大学）；Alibaba Group（阿里巴巴集团）；State University of New York at Albany（纽约州立大学奥尔巴尼分校）
While significant theoretical progress has been achieved, unveiling the generalization mystery of overparameterized neural networks still remains largely elusive. In this paper, we study the generalization behavior of shallow neural networks (SNNs) by leveraging the concept of algorithmic stability. We consider gradient descent (GD) and stochastic gradient descent (SGD) to train SNNs, for both of which we develop consistent excess risk bounds by balancing the optimization and generalization via early-stopping. As compared to existing analysis on GD, our new analysis requires a relaxed overpara…
Inspired by convolutional neural networks on 1D and 2D data, graph convolutional neural networks (GCNNs) have been developed for various learning tasks on graph data, and have shown superior performance on real-world datasets. Despite their success, there is a dearth of theoretical explorations of GCNN models such as their generalization properties. In this paper, we take a first step towards developing a deeper theoretical understanding of GCNN models by analyzing the stability of single-layer GCNN models and deriving their generalization guarantees in a semi-supervised graph learning setting…
“Sapienza” University of Rome（罗马第一大学）；University of Cantabria（坎塔布里亚大学）
In this brief we investigate the generalization properties of a recently-proposed class of non-parametric activation functions, the kernel activation functions (KAFs). KAFs introduce additional parameters in the learning process in order to adapt nonlinearities individually on a per-neuron basis, exploiting a cheap kernel expansion of every activation value. While this increase in flexibility has been shown to provide significant improvements in practice, a theoretical proof for its generalization capability has not been addressed yet in the literature. Here, we leverage recent literature on t…
Princeton University（普林斯顿大学）；Northwestern University（西北大学）；University of Minnesota（明尼苏达大学）；Georgia Institute of Technology（佐治亚理工学院）
We establish a margin based data dependent generalization error bound for a general family of deep neural networks in terms of the depth and width, as well as the Jacobian of the networks. Through introducing a new characterization of the Lipschitz properties of neural network family, we achieve significantly tighter generalization bounds than existing results. Moreover, we show that the generalization bound can be further improved for bounded losses. Aside from the general feedforward deep neural networks, our results can be applied to derive new bounds for popular architectures, including co…
School of Mathematical Sciences, Peking University（北京大学数学科学学院）；Beijing Jiaotong University（北京交通大学）；Microsoft Research（微软研究院）；Academy of Mathematics and Systems Science, Chinese Academy of Sciences（中国科学院数学与系统科学研究院）
Many machine learning tasks can be formulated as Regularized Empirical Risk Minimization (R-ERM), and solved by optimization algorithms such as gradient descent (GD), stochastic gradient descent (SGD), and stochastic variance reduction (SVRG). Conventional analysis on these optimization algorithms focuses on their convergence rates during the training process, however, people in the machine learning community may care more about the generalization performance of the learned model on unseen test data. In this paper, we investigate on this issue, by using stability as a tool. In particular, we d…
College of Computer, National University of Defense Technology（国防科技大学计算机学院）；Scientific Computing & Imaging Institute, University of Utah（犹他大学科学计算与成像研究所）
The stability and generalization of stochastic gradient-based methods provide valuable insights into understanding the algorithmic performance of machine learning models. As the main workhorse for deep learning, stochastic gradient descent has received a considerable amount of studies. Nevertheless, the community paid little attention to its decentralized variants. In this paper, we provide a novel formulation of the decentralized stochastic gradient descent. Leveraging this formulation together with (non)convex optimization theory, we establish the first stability and generalization guarantee…
Indian Institute of Technology Madras（印度理工学院马德拉斯分校）
Recent papers have shown that sufficiently overparameterized neural networks can perfectly fit even random labels. Thus, it is crucial to understand the underlying reason behind the generalization performance of a network on real-world data. In this work, we propose several measures to predict the generalization error of a network given the training data and its parameters. Using one of these measures, based on noise resilience of the network, we secured 5th position in the predicting generalization in deep learning (PGDL) competition at NeurIPS 2020.
Convolutional neural networks (CNNs) have achieved breakthrough performances in a wide range of applications including image classification, semantic segmentation, and object detection. Previous research on characterizing the generalization ability of neural networks mostly focuses on fully connected neural networks (FNNs), regarding CNNs as a special case of FNNs without taking into account the special structure of convolutional layers. In this work, we propose a tighter generalization bound for CNNs by exploiting the sparse and permutation structure of its weight matrices. As the generalizat…
Tsinghua University（清华大学）；University of Michigan（密歇根大学）；Shanghai Qi Zhi Institute（上海期智研究院）
Generalization is one of the fundamental issues in machine learning. However, traditional techniques like uniform convergence may be unable to explain generalization under overparameterization. As alternative approaches, techniques based on stability analyze the training dynamics and derive algorithm-dependent generalization bounds. Unfortunately, the stability-based bounds are still far from explaining the surprising generalization in deep learning since neural networks usually suffer from unsatisfactory stability. This paper proposes a novel decomposition framework to improve the stability-b…
We investigate the generalization and optimization properties of shallow neural-network classifiers trained by gradient descent in the interpolating regime. Specifically, in a realizable scenario where model weights can achieve arbitrarily small training error $ε$ and their distance from initialization is $g(ε)$, we demonstrate that gradient descent with $n$ training data achieves training error $O(g(1/T)^2 /T)$ and generalization error $O(g(1/T)^2 /n)$ at iteration $T$, provided there are at least $m=Ω(g(1/T)^4)$ hidden neurons. We then show that our realizable setting encompasses a special c…
Institute for Advanced Study（高等研究院）；Princeton University（普林斯顿大学）；Toyota Technological Institute at Chicago（芝加哥丰田理工学院）；New York University（纽约大学）；Facebook AI Research & Courant Institute（脸书人工智能研究和库朗研究所）
Despite existing work on ensuring generalization of neural networks in terms of scale sensitive complexity measures, such as norms, margin and sharpness, these complexity measures do not offer an explanation of why neural networks generalize better with over-parametrization. In this work we suggest a novel complexity measure based on unit-wise capacities resulting in a tighter generalization bound for two layer ReLU networks. Our capacity bound correlates with the behavior of test error with increasing network sizes, and could potentially explain the improvement in generalization with over-par…
Northwest University（西北大学）；Southwestern University of Finance and Economics（西南财经大学）；University of Birmingham（伯明翰大学）
Randomized coordinate descent (RCD) is a popular optimization algorithm with wide applications in solving various machine learning problems, which motivates a lot of theoretical analysis on its convergence behavior. As a comparison, there is no work studying how the models trained by RCD would generalize to test examples. In this paper, we initialize the generalization analysis of RCD by leveraging the powerful tool of algorithmic stability. We establish argument stability bounds of RCD for both convex and strongly convex objectives, from which we develop optimal generalization bounds by showi…
While it has not yet been proven, empirical evidence suggests that model generalization is related to local properties of the optima which can be described via the Hessian. We connect model generalization with the local property of a solution under the PAC-Bayes paradigm. In particular, we prove that model generalization ability is related to the Hessian, the higher-order "smoothness" terms characterized by the Lipschitz constant of the Hessian, and the scales of the parameters. Guided by the proof, we propose a metric to score the generalization capability of the model, as well as an algorith…
Academy of Mathematics and Systems Science, Chinese Academy of Sciences（中国科学院数学与系统科学研究院）；University of Chinese Academy of Sciences（中国科学院大学）；Brown University（布朗大学）
The accuracy of deep learning, i.e., deep neural networks, can be characterized by dividing the total error into three main types: approximation error, optimization error, and generalization error. Whereas there are some satisfactory answers to the problems of approximation and optimization, much less is known about the theory of generalization. Most existing theoretical works for generalization fail to explain the performance of neural networks in practice. To derive a meaningful bound, we study the generalization error of neural networks for classification problems in terms of data distribut…
University of Illinois Urbana-Champaign（伊利诺伊大学厄巴纳-香槟分校）；Inria（法国国家信息与自动化研究所）；Ecole Normale Supérieure（巴黎高等师范学院）；PSL Research University（巴黎文理研究大学）；Boğaziçi University（博阿齐奇大学）；Rutgers University（罗格斯大学）；Florida State University（佛罗里达州立大学）；CNRS（法国国家科学研究中心）
Recent studies have shown that heavy tails can emerge in stochastic optimization and that the heaviness of the tails have links to the generalization error. While these studies have shed light on interesting aspects of the generalization behavior in modern settings, they relied on strong topological and statistical regularity assumptions, which are hard to verify in practice. Furthermore, it has been empirically illustrated that the relation between heavy tails and generalization might not always be monotonic in practice, contrary to the conclusions of existing theory. In this study, we establ…
Recurrent Neural Networks (RNNs) have been widely applied to sequential data analysis. Due to their complicated modeling structures, however, the theory behind is still largely missing. To connect theory and practice, we study the generalization properties of vanilla RNNs as well as their variants, including Minimal Gated Unit (MGU), Long Short Term Memory (LSTM), and Convolutional (Conv) RNNs. Specifically, our theory is established under the PAC-Learning framework. The generalization bound is presented in terms of the spectral norms of the weight matrices and the total number of parameters. …
Stochastic variance-reduced gradient (SVRG) is a classical optimization method. Although it is theoretically proved to have better convergence performance than stochastic gradient descent (SGD), the generalization performance of SVRG remains open. In this paper we investigate the effects of some training techniques, mini-batching and learning rate decay, on the generalization performance of SVRG, and verify the generalization performance of Batch-SVRG (B-SVRG). In terms of the relationship between optimization and generalization, we believe that the average norm of gradients on each training s…
Harvard University（哈佛大学）；University of Pennsylvania（宾夕法尼亚大学）
Algorithmic stability is a key characteristic to ensure the generalization ability of a learning algorithm. Among different notions of stability, \emph{uniform stability} is arguably the most popular one, which yields exponential generalization bounds. However, uniform stability only considers the worst-case loss change (or so-called sensitivity) by removing a single data point, which is distribution-independent and therefore undesirable. There are many cases that the worst-case sensitivity of the loss is much larger than the average sensitivity taken over the single data point that is removed…
Stability and Generalization of lp-Regularized Stochastic Learning for GCN
University of Electronic Science and Technology of China（电子科技大学）；Northwestern Polytechnical University（西北工业大学）；Nanjing Audit University（南京审计大学）；Zhejiang Normal University（浙江师范大学）
Stability, Complexity and Data-Dependent Worst-Case Generalization Bounds
INRIA, CNRS, Département d’Informatique de l’Ecole Normale Supérieure / PSL, France（法国国家信息与自动化技术研究所、国家科学研究中心、巴黎高等师范学院计算机系/巴黎社会科学实验室）；Department of Computing, Imperial College London, United Kingdom（伦敦帝国理工学院计算机系、英国）；School of Computation and Technology, Technical University of Munich, Germany（慕尼黑技术大学计算与技术学院、德国）；Munich Center for Machine Learning, Germany（慕尼黑机器学习中心、德国）
We are motivated by the problem of providing strong generalization guarantees in the context of meta-learning. Existing generalization bounds are either challenging to evaluate or provide vacuous guarantees in even relatively simple settings. We derive a probably approximately correct (PAC) bound for gradient-based meta-learning using two different generalization frameworks in order to deal with the qualitatively different challenges of generalization at the "base" and "meta" levels. We employ bounds for uniformly stable algorithms at the base level and bounds from the PAC-Bayes framework at t…
University of Birmingham（伯明翰大学）；State University of New York at Albany（纽约州立大学奥尔巴尼分校）；The University of Iowa（爱荷华大学）
Many machine learning problems can be formulated as minimax problems such as Generative Adversarial Networks (GANs), AUC maximization and robust estimation, to mention but a few. A substantial amount of studies are devoted to studying the convergence behavior of their stochastic gradient-type algorithms. In contrast, there is relatively little work on their generalization, i.e., how the learning models built from training examples would behave on test examples. In this paper, we provide a comprehensive generalization analysis of stochastic gradient methods for minimax problems under both conve…
We provide the first generalization error analysis for black-box learning through derivative-free optimization. Under the assumption of a Lipschitz and smooth unknown loss, we consider the Zeroth-order Stochastic Search (ZoSS) algorithm, that updates a $d$-dimensional model by replacing stochastic gradient directions with stochastic differences of $K+1$ perturbed loss evaluations per dataset (example) query. For both unbounded and bounded possibly nonconvex losses, we present the first generalization bounds for the ZoSS algorithm. These bounds coincide with those for SGD, and rather surprising…
University of California, Riverside（加州大学河滨分校）；University of Wisconsin-Madison（威斯康星大学麦迪逊分校）
In-context learning (ICL) is a type of prompting where a transformer model operates on a sequence of (input, output) examples and performs inference on-the-fly. In this work, we formalize in-context learning as an algorithm learning problem where a transformer model implicitly constructs a hypothesis function at inference-time. We first explore the statistical aspects of this abstraction through the lens of multitask learning: We obtain generalization bounds for ICL when the input prompt is (1) a sequence of i.i.d. (input, label) pairs or (2) a trajectory arising from a dynamical system. The c…
College of Science, Huazhong Agricultural University（华中农业大学理学院）；College of Informatics, Huazhong Agricultural University（华中农业大学信息学院）；Mohamed bin Zayed University of Artificial Intelligence（穆罕默德·本·扎耶德人工智能大学）；Ping An Property & Casualty Insurance Company（中国平安财产保险股份有限公司）
Recently, some mixture algorithms of pointwise and pairwise learning (PPL) have been formulated by employing the hybrid error metric of "pointwise loss + pairwise loss" and have shown empirical effectiveness on feature selection, ranking and recommendation tasks. However, to the best of our knowledge, the learning theory foundation of PPL has not been touched in the existing works. In this paper, we try to fill this theoretical gap by investigating the generalization properties of PPL. After extending the definitions of algorithmic stability to the PPL setting, we establish the high-probabilit…
This paper takes an initial step to systematically investigate the generalization bounds of algorithms for solving nonconvex-(strongly)-concave (NC-SC/NC-C) stochastic minimax optimization measured by the stationarity of primal functions. We first establish algorithm-agnostic generalization bounds via uniform convergence between the empirical minimax problem and the population minimax problem. The sample complexities for achieving $ε$-generalization are $\tilde{\mathcal{O}}(dκ^2ε^{-2})$ and $\tilde{\mathcal{O}}(dε^{-4})$ for NC-SC and NC-C settings, respectively, where $d$ is the dimension and…
Alibaba Group（阿里巴巴集团）；BDKM, University of Chinese Academy of Sciences（中国科学院大学大数据与知识管理实验室）；Peng Cheng Laboratory（鹏城实验室）
Stochastic optimization of the Area Under the Precision-Recall Curve (AUPRC) is a crucial problem for machine learning. Although various algorithms have been extensively studied for AUPRC optimization, the generalization is only guaranteed in the multi-query case. In this work, we present the first trial in the single-query generalization of stochastic AUPRC optimization. For sharper generalization bounds, we focus on algorithm-dependent generalization. There are both algorithmic and theoretical obstacles to our destination. From an algorithmic perspective, we notice that the majority of exist…
We establish novel generalization bounds for learning algorithms that converge to global minima. We do so by deriving black-box stability results that only depend on the convergence of a learning algorithm and the geometry around the minimizers of the loss function. The results are shown for nonconvex loss functions satisfying the Polyak-Łojasiewicz (PL) and the quadratic growth (QG) conditions. We further show that these conditions arise for some neural networks with linear activations. We use our black-box results to establish the stability of optimization algorithms such as stochastic gradi…
Duke University（杜克大学）；The Ohio State University（俄亥俄州立大学）；Microsoft Research, Asia（微软研究院亚洲研究院（微软亚洲研究院））
The success of deep learning has led to a rising interest in the generalization property of the stochastic gradient descent (SGD) method, and stability is one popular approach to study it. Existing works based on stability have studied nonconvex loss functions, but only considered the generalization error of the SGD in expectation. In this paper, we establish various generalization error bounds with probabilistic guarantee for the SGD. Specifically, for both general nonconvex loss functions and gradient dominant loss functions, we characterize the on-average stability of the iterates generated…
University of California, Los Angeles（加利福尼亚大学洛杉矶分校）
We study the training and generalization of deep neural networks (DNNs) in the over-parameterized regime, where the network width (i.e., number of hidden nodes per layer) is much larger than the number of training data points. We show that, the expected $0$-$1$ loss of a wide enough ReLU network trained with stochastic gradient descent (SGD) and random initialization can be bounded by the training loss of a random feature model induced by the network gradient at initialization, which we call a neural tangent random feature (NTRF) model. For data distributions that can be classified by NTRF mod…
Massachusetts Institute of Technology（麻省理工学院）；University of Haifa（海法大学）
We present an efficient coresets-based neural network compression algorithm that sparsifies the parameters of a trained fully-connected neural network in a manner that provably approximates the network's output. Our approach is based on an importance sampling scheme that judiciously defines a sampling distribution over the neural network parameters, and as a result, retains parameters of high importance while discarding redundant ones. We leverage a novel, empirical notion of sensitivity and extend traditional coreset constructions to the application of compressing parameters. Our theoretical …
(Stochastic) bilevel optimization is a frequently encountered problem in machine learning with a wide range of applications such as meta-learning, hyper-parameter optimization, and reinforcement learning. Most of the existing studies on this problem only focused on analyzing the convergence or improving the convergence rate, while little effort has been devoted to understanding its generalization behaviors. In this paper, we conduct a thorough analysis on the generalization of first-order (gradient-based) methods for the bilevel optimization problem. We first establish a fundamental connection…
Stability and Generalization for Stochastic Recursive Momentum-based Algorithms for (Strongly-)Convex One to $K$-Level Stochastic Optimizations
Central South University（中南大学）；Tulane University（杜兰大学）；National University of Defense Technology（国防科技大学）；Xi’an Jiaotong University（西安交通大学）；Shanghai Jiao Tong University（上海交通大学）
本文基于算法稳定性分析 STORM、COVER 和 SVMR 在凸与强凸一至 K 层随机优化中的泛化性，建立稳定性与超额风险界，并揭示估计器方差、层级增加及批量大小的影响。
