The choice of batch-size in a stochastic optimization algorithm plays a substantial role for both optimization and generalization. Increasing the batch-size used typically improves optimization but degrades generalization. To address the problem of improving generalization while maintaining optimal convergence in large-batch training, we propose to add covariance noise to the gradients. We demonstrate that the learning performance of our method is more accurately captured by the structure of the covariance matrix of the noise rather than by the variance of gradients. Moreover, over the convex-quadratic, we prove in theory that it can be characterized by the Frobenius norm of the noise matrix. Our empirical studies with standard deep learning model-architectures and datasets shows that our method not only improves generalization performance in large-batch training, but furthermore, does so in a way where the optimization performance remains desirable and the training duration is not elongated.
Korea Advanced Institute of Science and Technology (KAIST)（韩国科学技术院）
Determining the appropriate batch size for mini-batch gradient descent is always time consuming as it often relies on grid search. This paper considers a resizable mini-batch gradient descent (RMGD) algorithm based on a multi-armed bandit for achieving best performance in grid search by selecting an appropriate batch size at each epoch with a probability defined as a function of its previous success/failure. This probability encourages exploration of different batch size and then later exploitation of batch size with history of success. At each epoch, the RMGD samples a batch size from its pro…
Huazhong University of Science and Technology（华中科技大学）
Takagi-Sugeno-Kang (TSK) fuzzy systems are flexible and interpretable machine learning models; however, they may not be easily optimized when the data size is large, and/or the data dimensionality is high. This paper proposes a mini-batch gradient descent (MBGD) based algorithm to efficiently and effectively train TSK fuzzy classifiers. It integrates two novel techniques: 1) uniform regularization (UR), which forces the rules to have similar average contributions to the output, and hence to increase the generalization performance of the TSK classifier; and, 2) batch normalization (BN), which e…
INRIA Lille（法国国家信息与自动化研究所里尔中心）；Politecnico di Milano（米兰理工大学）
In this paper, we propose a novel approach to automatically determine the batch size in stochastic gradient descent methods. The choice of the batch size induces a trade-off between the accuracy of the gradient estimate and the cost in terms of samples of each update. We propose to determine the batch size by optimizing the ratio between a lower bound to a linear or quadratic Taylor approximation of the expected improvement and the number of samples used to estimate the gradient. The performance of the proposed approach is empirically compared with related methods on popular classification tas…
The Implicit Bias of Steepest Descent with Mini-batch Stochastic Gradient
School of Statistics, Renmin University of China（中国人民大学统计学院）；School of Computing and Data Science, The University of Hong Kong（香港大学计算与数据科学学院）；School of Computing and Data Science & Institute of Data Science, The University of Hong Kong（香港大学计算与数据科学学院及数据科学研究所）
Stochastic gradient descent (SGD) is almost ubiquitously used for training non-convex optimization tasks. Recently, a hypothesis proposed by Keskar et al. [2017] that large batch methods tend to converge to sharp minimizers has received increasing attention. We theoretically justify this hypothesis by providing new properties of SGD in both finite-time and asymptotic regimes. In particular, we give an explicit escaping time of SGD from a local minimum in the finite-time regime and prove that SGD tends to converge to flatter minima in the asymptotic regime (although may take exponential time to…
It has long been argued that minibatch stochastic gradient descent can generalize better than large batch gradient descent in deep neural networks. However recent papers have questioned this claim, arguing that this effect is simply a consequence of suboptimal hyperparameter tuning or insufficient compute budgets when the batch size is large. In this paper, we perform carefully designed experiments and rigorous hyperparameter sweeps on a range of popular models, which verify that small or moderately large batch sizes can substantially outperform very large batches on the test set. This occurs …
University of Edinburgh（爱丁堡大学）；Lehigh University（理海大学）
We propose a mini-batching scheme for improving the theoretical complexity and practical performance of semi-stochastic gradient descent applied to the problem of minimizing a strongly convex composite function represented as the sum of an average of a large number of smooth convex functions, and simple nonsmooth convex function. Our method first performs a deterministic step (computation of the gradient of the objective function at the starting point), followed by a large number of stochastic steps. The process is repeated a few times with the last iterate becoming the new starting point. The…
National University of Singapore（新加坡国立大学）；Institute of High Performance Computing, A*STAR（新加坡科技研究局高性能计算研究所）
Despite its empirical success and recent theoretical progress, there generally lacks a quantitative analysis of the effect of batch normalization (BN) on the convergence and stability of gradient descent. In this paper, we provide such an analysis on the simple problem of ordinary least squares (OLS). Since precise dynamical properties of gradient descent (GD) is completely known for the OLS problem, it allows us to isolate and compare the additional effects of BN. More precisely, we show that unlike GD, gradient descent with BN (BNGD) converges for arbitrary learning rates for the weights, an…
We propose a projected semi-stochastic gradient descent method with mini-batch for improving both the theoretical complexity and practical performance of the general stochastic gradient descent method (SGD). We are able to prove linear convergence under weak strong convexity assumption. This requires no strong convexity assumption for minimizing the sum of smooth convex functions subject to a compact polyhedral set, which remains popular across machine learning community. Our PS2GD preserves the low-cost per iteration and high optimization accuracy via stochastic gradient variance-reduced tech…
University of Edinburgh（爱丁堡大学）；Lehigh University（利哈伊大学）
We propose mS2GD: a method incorporating a mini-batching scheme for improving the theoretical complexity and practical performance of semi-stochastic gradient descent (S2GD). We consider the problem of minimizing a strongly convex function represented as the sum of an average of a large number of smooth convex functions, and a simple nonsmooth convex regularizer. Our method first performs a deterministic step (computation of the gradient of the objective function at the starting point), followed by a large number of stochastic steps. The process is repeated a few times with the last iterate be…
In high dimensions, most machine learning method perform fragile even there are a little outliers. To address this, we hope to introduce a new method with the base learner, such as Bayesian regression or stochastic gradient descent to solve the problem of the vulnerability in the model. Because the mini-batch gradient descent allows for a more robust convergence than the batch gradient descent, we work a method with the mini-batch gradient descent, called Mini-Batch Gradient Descent with Trimming (MBGDT). Our method show state-of-art performance and have greater robustness than several baselin…
Northwestern University（西北大学）；Columbia Business School（哥伦比亚商学院）
In this paper, we study a simple algorithm to construct asymptotically valid confidence regions for model parameters using the batch means method. The main idea is to cancel out the covariance matrix which is hard/costly to estimate. In the process of developing the algorithm, we establish process-level functional central limit theorem for Polyak-Ruppert averaging based stochastic gradient descent estimators. We also extend the batch means method to accommodate more general batch size specifications.
Princeton University（普林斯顿大学）；Institute for Advanced Study（高等研究院）；Tsinghus University（清华大学）
Batch Normalization (BN) has become a cornerstone of deep learning across diverse architectures, appearing to help optimization as well as generalization. While the idea makes intuitive sense, theoretical analysis of its effectiveness has been lacking. Here theoretical support is provided for one of its conjectured properties, namely, the ability to allow gradient descent to succeed with less tuning of learning rates. It is shown that even if we fix the learning rate of scale-invariant parameters (e.g., weights of each layer with BN) to a constant (say, $0.3$), gradient descent still approache…
University of Chicago（芝加哥大学）；New York University（纽约大学）
The stochastic gradient descent (SGD) algorithm is widely used for parameter estimation, especially for huge data sets and online learning. While this recursive algorithm is popular for computation and memory efficiency, quantifying variability and randomness of the solutions has been rarely studied. This paper aims at conducting statistical inference of SGD-based estimates in an online setting. In particular, we propose a fully online estimator for the covariance matrix of averaged SGD iterates (ASGD) only using the iterates from SGD. We formally establish our online estimator's consistency a…
IBM T.J. Watson Research Center（IBM托马斯·J·沃森研究中心）；Amazon Alexa（亚马逊Alexa）；Morgan Stanley（摩根士丹利）；Rice University（莱斯大学）
This paper presents a methodology for selecting the mini-batch size that minimizes Stochastic Gradient Descent (SGD) learning time for single and multiple learner problems. By decoupling algorithmic analysis issues from hardware and software implementation details, we reveal a robust empirical inverse law between mini-batch size and the average number of SGD updates required to converge to a specified error threshold. Combining this empirical inverse law with measured system performance, we create an accurate, closed-form model of average training time and show how this model can be used to id…
Indian Institute of Technology Hyderabad（印度理工学院海得拉巴分校）
Mini-batch gradient descent based methods are the de facto algorithms for training neural network architectures today. We introduce a mini-batch selection strategy based on submodular function maximization. Our novel submodular formulation captures the informativeness of each sample and diversity of the whole subset. We design an efficient, greedy algorithm which can give high-quality solutions to this NP-hard combinatorial optimization problem. Our extensive experiments on standard datasets show that the deep models trained using the proposed batch selection strategy provide better generaliza…
University of Science and Technology of China（中国科学技术大学）
(Mini-batch) Stochastic Gradient Descent is a popular optimization method which has been applied to many machine learning applications. But a rather high variance introduced by the stochastic gradient in each step may slow down the convergence. In this paper, we propose the antithetic sampling strategy to reduce the variance by taking advantage of the internal structure in dataset. Under this new strategy, stochastic gradients in a mini-batch are no longer independent but negatively correlated as much as possible, while the mini-batch stochastic gradient is still an unbiased estimator of full …
Institute of Science and Technology Austria（奥地利科学与技术研究所）；Sung Kyun Kwan University（顺天妇女大学）；New York University and Flatiron Institute（纽约大学和Flatiron研究所）；University of Southern California（南加州大学）
Increasing the mini-batch size for stochastic gradient descent offers significant opportunities to reduce wall-clock training time, but there are a variety of theoretical and systems challenges that impede the widespread success of this technique. We investigate these issues, with an emphasis on time to convergence and total computational cost, through an extensive empirical analysis of network training across several architectures and problem domains, including image classification, image segmentation, and language modeling. Although it is common practice to increase the batch size in order t…
University of Wisconsin-Madison（威斯康星大学麦迪逊分校）；University of California, San Diego（加利福尼亚大学圣地亚哥分校）；Google（谷歌）
Data compression is a popular technique for improving the efficiency of data processing workloads such as SQL queries and more recently, machine learning (ML) with classical batch gradient methods. But the efficacy of such ideas for mini-batch stochastic gradient descent (MGD), arguably the workhorse algorithm of modern ML, is an open question. MGD's unique data access pattern renders prior art, including those designed for batch gradient methods, less effective. We fill this crucial research gap by proposing a new lossless compression scheme we call tuple-oriented compression (TOC) that is in…
Huazhong University of Science and Technology（华中科技大学）
Takagi-Sugeno-Kang (TSK) fuzzy systems are very useful machine learning models for regression problems. However, to our knowledge, there has not existed an efficient and effective training algorithm that ensures their generalization performance, and also enables them to deal with big data. Inspired by the connections between TSK fuzzy systems and neural networks, we extend three powerful neural network optimization techniques, i.e., mini-batch gradient descent, regularization, and AdaBound, to TSK fuzzy systems, and also propose three novel techniques (DropRule, DropMF, and DropMembership) spe…
Tsinghua University（清华大学）；Chinese Academy of Sciences（中国科学院）
Machine learning, especially deep neural networks, has been rapidly developed in fields including computer vision, speech recognition and reinforcement learning. Although Mini-batch SGD is one of the most popular stochastic optimization methods in training deep networks, it shows a slow convergence rate due to the large noise in gradient approximation. In this paper, we attempt to remedy this problem by building more efficient batch selection method based on typicality sampling, which reduces the error of gradient estimation in conventional Minibatch SGD. We analyze the convergence rate of the…
The University of Tokyo（东京大学）；RIKEN Center for AIP（理化学研究所人工智能中心）
Stochastic Gradient Descent (SGD) and its variants are mainstream methods for training deep networks in practice. SGD is known to find a flat minimum that often generalizes well. However, it is mathematically unclear how deep learning can select a flat minimum among so many minima. To answer the question quantitatively, we develop a density diffusion theory (DDT) to reveal how minima selection quantitatively depends on the minima sharpness and the hyperparameters. To the best of our knowledge, we are the first to theoretically and empirically prove that, benefited from the Hessian-dependent co…
University of Toronto（多伦多大学）；Vector Institute（向量研究所）；Google Research（谷歌研究院）；DeepMind（深度思维）
Increasing the batch size is a popular way to speed up neural network training, but beyond some critical batch size, larger batch sizes yield diminishing returns. In this work, we study how the critical batch size changes based on properties of the optimization algorithm, including acceleration and preconditioning, through two different lenses: large scale experiments, and analysis of a simple noisy quadratic model (NQM). We experimentally demonstrate that optimization algorithms that employ preconditioning, specifically Adam and K-FAC, result in much larger critical batch sizes than stochasti…
Microsoft Research（微软研究院）；University of Washington（华盛顿大学）；Stanford University（斯坦福大学）
This work characterizes the benefits of averaging schemes widely used in conjunction with stochastic gradient descent (SGD). In particular, this work provides a sharp analysis of: (1) mini-batching, a method of averaging many samples of a stochastic gradient to both reduce the variance of the stochastic gradient estimate and for parallelizing SGD and (2) tail-averaging, a method involving averaging the final few iterates of SGD to decrease the variance in SGD's final iterate. This work presents non-asymptotic excess risk bounds for these schemes for the stochastic approximation problem of leas…
For infinitesimal learning rates, stochastic gradient descent (SGD) follows the path of gradient flow on the full batch loss function. However moderately large learning rates can achieve higher test accuracies, and this generalization benefit is not explained by convergence bounds, since the learning rate which maximizes test accuracy is often larger than the learning rate which minimizes training loss. To interpret this phenomenon we prove that for SGD with random shuffling, the mean SGD iterate also stays close to the path of gradient flow if the learning rate is small and finite, but on a m…
Johns Hopkins University（约翰斯·霍普金斯大学）；Missouri University of Science and Technology（密苏里科技大学）；Baidu Research（百度研究院）；Styling.AI Inc.（Styling.AI公司）；Peking University（北京大学）
The gradient noise of SGD is considered to play a central role in the observed strong generalization abilities of deep learning. While past studies confirm that the magnitude and the covariance structure of gradient noise are critical for regularization, it remains unclear whether or not the class of noise distributions is important. In this work we provide negative results by showing that noises in classes different from the SGD noise can also effectively regularize gradient descent. Our finding is based on a novel observation on the structure of the SGD noise: it is the multiplication of the…
Michigan State University（密歇根州立大学）；NEC Laboratories America（NEC美国实验室）
Distance metric learning (DML) is an important task that has found applications in many domains. The high computational cost of DML arises from the large number of variables to be determined and the constraint that a distance metric has to be a positive semi-definite (PSD) matrix. Although stochastic gradient descent (SGD) has been successfully applied to improve the efficiency of DML, it can still be computationally expensive because in order to ensure that the solution is a PSD matrix, it has to, at every iteration, project the updated distance metric onto the PSD cone, an expensive operatio…
Missouri University of Science and Technology（密苏里科技大学）；Princeton University（普林斯顿大学）；Duke University（杜克大学）
We study the Stochastic Gradient Descent (SGD) method in nonconvex optimization problems from the point of view of approximating diffusion processes. We prove rigorously that the diffusion process can approximate the SGD algorithm weakly using the weak form of master equation for probability evolution. In the small step size regime and the presence of omnidirectional noise, our weak approximating diffusion process suggests the following dynamics for the SGD iteration starting from a local minimizer (resp.~saddle point): it escapes in a number of iterations exponentially (resp.~almost linearly)…
In this paper we aim to formally explain the phenomenon of fast convergence of SGD observed in modern machine learning. The key observation is that most modern learning architectures are over-parametrized and are trained to interpolate the data by driving the empirical loss (classification and regression) close to zero. While it is still unclear why these interpolated solutions perform well on test data, we show that these regimes allow for fast convergence of SGD, comparable in number of iterations to full gradient descent. For convex loss functions we obtain an exponential convergence bound …
In machine learning, data augmentation (DA) is a technique for improving the generalization performance. In this paper, we mainly considered gradient descent of linear regression under DA using noisy copies of datasets, in which noise is injected into inputs. We analyzed the situation where random noisy copies are newly generated and used at each epoch; i.e., the case of using on-line noisy copies. Therefore, it is viewed as an analysis on a method using noise injection into training process by DA manner; i.e., on-line version of DA. We derived the averaged behavior of training process under t…
Acceleration of stochastic gradient descent with momentum by averaging: finite-sample rates and asymptotic normality
School of Mathematical Sciences, Shanghai Jiao Tong University（上海交通大学数学科学学院）；Daniels School of Business, Purdue University（普渡大学丹尼尔斯商学院）；Stern School of Business, New York University（纽约大学斯特恩商学院）
The mini-batch stochastic gradient descent (SGD) algorithm is widely used in training machine learning models, in particular deep learning models. We study SGD dynamics under linear regression and two-layer linear networks, with an easy extension to deeper linear networks, by focusing on the variance of the gradients, which is the first study of this nature. In the linear regression case, we show that in each iteration the norm of the gradient is a decreasing function of the mini-batch size $b$ and thus the variance of the stochastic gradient estimator is a decreasing function of $b$. For deep…
We investigate how the final parameters found by stochastic gradient descent are influenced by over-parameterization. We generate families of models by increasing the number of channels in a base network, and then perform a large hyper-parameter search to study how the test error depends on learning rate, batch size, and network width. We find that the optimal SGD hyper-parameters are determined by a "normalized noise scale," which is a function of the batch size, learning rate, and initialization conditions. In the absence of batch normalization, the optimal normalized noise scale is directly…
We consider two questions at the heart of machine learning; how can we predict if a minimum will generalize to the test set, and why does stochastic gradient descent find minima that generalize well? Our work responds to Zhang et al. (2016), who showed deep neural networks can easily memorize randomly labeled training data, despite generalizing well on real labels of the same inputs. We show that the same phenomenon occurs in small linear models. These observations are explained by the Bayesian evidence, which penalizes sharp minima but is invariant to model parameterization. We also demonstra…
Department of Engineering Sciences, University of Oxford（牛津大学工程科学系）；University of Oxford（牛津大学）
We introduce a new, high-throughput, synchronous, distributed, data-parallel, stochastic-gradient-descent learning algorithm. This algorithm uses amortized inference in a compute-cluster-specific, deep, generative, dynamical model to perform joint posterior predictive inference of the mini-batch gradient computation times of all worker-nodes in a parallel computing cluster. We show that a synchronous parameter server can, by utilizing such a model, choose an optimal cutoff time beyond which mini-batch gradient messages from slow workers are ignored that maximizes overall mini-batch gradient co…
Tel Aviv University（特拉维夫大学）；Google Research（谷歌研究院）
We study the generalization performance of $\text{full-batch}$ optimization algorithms for stochastic convex optimization: these are first-order methods that only access the exact gradient of the empirical risk (rather than gradients with respect to individual data points), that include a wide range of algorithms such as gradient descent, mirror descent, and their regularized and/or accelerated variants. We provide a new separation result showing that, while algorithms such as stochastic gradient descent can generalize and optimize the population risk to within $ε$ after $O(1/ε^2)$ iterations,…
In several experimental reports on nonconvex optimization problems in machine learning, stochastic gradient descent (SGD) was observed to prefer minimizers with flat basins in comparison to more deterministic methods, yet there is very little rigorous understanding of this phenomenon. In fact, the lack of such work has led to an unverified, but widely-accepted stochastic mechanism describing why SGD prefers flatter minimizers to sharper minimizers. However, as we demonstrate, the stochastic mechanism fails to explain this phenomenon. Here, we propose an alternative deterministic mechanism that…
Georgia Institute of Technology（佐治亚理工学院）；NEC Laboratories, USA（NEC实验室）
SGD is the widely adopted method to train CNN. Conceptually it approximates the population with a randomly sampled batch; then it evenly trains batches by conducting a gradient update on every batch in an epoch. In this paper, we demonstrate Sampling Bias, Intrinsic Image Difference and Fixed Cycle Pseudo Random Sampling differentiate batches in training, which then affect learning speeds on them. Because of this, the unbiased treatment of batches involved in SGD creates improper load balancing. To address this issue, we present Inconsistent Stochastic Gradient Descent (ISGD) to dynamically va…
On the equivalence of different adaptive batch size selection strategies for stochastic gradient descent methods
University of Nottingham（诺丁汉大学）；Karlsruhe Institute of Technology（卡尔斯鲁厄理工学院）；RWTH Aachen University（亚琛工业大学）；King Abdullah University of Science & Technology（阿卜杜拉国王科技大学）；Stevens Institute of Technology（史蒂文斯理工学院）
Stochastic dual coordinate ascent (SDCA) is an effective technique for solving regularized loss minimization problems in machine learning. This paper considers an extension of SDCA under the mini-batch setting that is often used in practice. Our main contribution is to introduce an accelerated mini-batch version of SDCA and prove a fast convergence rate for this method. We discuss an implementation of our method over a parallel computing system, and compare the results to both the vanilla stochastic dual coordinate ascent and to the accelerated deterministic gradient descent method of \cite{ne…
The stochastic gradient descent (SGD) method is most widely used for deep neural network (DNN) training. However, the method does not always converge to a flat minimum of the loss surface that can demonstrate high generalization capability. Weight noise injection has been extensively studied for finding flat minima using the SGD method. We devise a new weight-noise injection-based SGD method that adds symmetrical noises to the DNN weights. The training with symmetrical noise evaluates the loss surface at two adjacent points, by which convergence to sharp minima can be avoided. Fixed-magnitude …
