In this paper, we theoretically prove that gradient descent can find a global minimum of non-convex optimization of all layers for nonlinear deep neural networks of sizes commonly encountered in practice. The theory developed in this paper only requires the practical degrees of over-parameterization unlike previous theories. Our theory only requires the number of trainable parameters to increase linearly as the number of training samples increases. This allows the size of the deep neural networks to be consistent with practice and to be several orders of magnitude smaller than that required by the previous theories. Moreover, we prove that the linear increase of the size of the network is the optimal rate and that it cannot be improved, except by a logarithmic factor. Furthermore, deep neural networks with the trainability guarantee are shown to generalize well to unseen test samples with a natural dataset but not a random dataset.
Microsoft Research（微软研究院）；University of Washington（华盛顿大学）；Stanford University（斯坦福大学）
This work provides a simplified proof of the statistical minimax optimality of (iterate averaged) stochastic gradient descent (SGD), for the special case of least squares. This result is obtained by analyzing SGD as a stochastic process and by sharply characterizing the stationary covariance matrix of this process. The finite rate optimality characterization captures the constant factors and addresses model mis-specification.
University of California, Los Angeles（加利福尼亚大学洛杉矶分校）；New York University（纽约大学）；Facebook AI Research（Facebook人工智能研究院）；Politecnico di Torino（都灵理工大学）；Microsoft Research New England（微软研究院新英格兰分部）
This paper proposes a new optimization algorithm called Entropy-SGD for training deep neural networks that is motivated by the local geometry of the energy landscape. Local extrema with low generalization error have a large proportion of almost-zero eigenvalues in the Hessian with very few positive or negative eigenvalues. We leverage upon this observation to construct a local-entropy-based objective function that favors well-generalizable solutions lying in large flat regions of the energy landscape, while avoiding poorly-generalizable solutions located in the sharp valleys. Conceptually, our…
Zeroth-Order Alternating Gradient Descent Ascent Algorithms for a Class of Nonconvex-Nonconcave Minimax Problems
Shanghai University（上海大学）；Newtouch Center for Mathematics of Shanghai University（上海大学纽崔克数学中心）；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）
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…
We analyze the training dynamics for deep linear networks using a new metric - layer imbalance - which defines the flatness of a solution. We demonstrate that different regularization methods, such as weight decay or noise data augmentation, behave in a similar way. Training has two distinct phases: 1) optimization and 2) regularization. First, during the optimization phase, the loss function monotonically decreases, and the trajectory goes toward a minima manifold. Then, during the regularization phase, the layer imbalance decreases, and the trajectory goes along the minima manifold toward a …
We consider the behavior of gradient flow and of discrete and noisy gradient descent. It is commonly noted that the addition of noise to the process of discrete gradient descent can affect the trajectory of gradient descent. In previous work, we observed such effects. There, we considered the case where the minima had codimension 1. In this note, we do some computer experiments and observe the behavior of noisy gradient descent in the more complex setting of minima of higher codimension.
Princeton University（普林斯顿大学）；Beijing Institute of Big Data Research（北京大数据研究院）
The behavior of the gradient descent (GD) algorithm is analyzed for a deep neural network model with skip-connections. It is proved that in the over-parametrized regime, for a suitable initialization, with high probability GD can find a global minimum exponentially fast. Generalization error estimates along the GD path are also established. As a consequence, it is shown that when the target function is in the reproducing kernel Hilbert space (RKHS) with a kernel defined by the initialization, there exist generalizable early-stopping solutions along the GD path. In addition, it is also shown th…
IBM T. J. Watson Research Center（IBM托马斯·J·沃森研究中心）；Duke University（杜克大学）
Despite the tremendous success of Stochastic Gradient Descent (SGD) algorithm in deep learning, little is known about how SGD finds generalizable solutions in the high-dimensional weight space. By analyzing the learning dynamics and loss function landscape, we discover a robust inverse relation between the weight variance and the landscape flatness (inverse of curvature) for all SGD-based learning algorithms. To explain the inverse variance-flatness relation, we develop a random landscape theory, which shows that the SGD noise strength (effective temperature) depends inversely on the landscape…
University of Toronto（多伦多大学）；Princeton University（普林斯顿大学）；Northeastern University（东北大学）
Smooth minimax games often proceed by simultaneous or alternating gradient updates. Although algorithms with alternating updates are commonly used in practice, the majority of existing theoretical analyses focus on simultaneous algorithms for convenience of analysis. In this paper, we study alternating gradient descent-ascent (Alt-GDA) in minimax games and show that Alt-GDA is superior to its simultaneous counterpart~(Sim-GDA) in many settings. We prove that Alt-GDA achieves a near-optimal local convergence rate for strongly convex-strongly concave (SCSC) problems while Sim-GDA converges at a …
Carnegie Mellon University（卡内基梅隆大学）；University of Southern California（南加州大学）；Peking University（北京大学）；Beijing Institute of Big Data Research（北京大数据研究院）；Massachusetts Institute of Technology（麻省理工学院）
Gradient descent finds a global minimum in training deep neural networks despite the objective function being non-convex. The current paper proves gradient descent achieves zero training loss in polynomial time for a deep over-parameterized neural network with residual connections (ResNet). Our analysis relies on the particular structure of the Gram matrix induced by the neural network architecture. This structure allows us to show the Gram matrix is stable throughout the training process and this stability implies the global optimality of the gradient descent algorithm. We further extend our …
Nanjing University of Aeronautics and Astronautics（南京航空航天大学）；University of Pittsburgh（匹兹堡大学）
In the paper, we study a class of useful minimax problems on Riemanian manifolds and propose a class of effective Riemanian gradient-based methods to solve these minimax problems. Specifically, we propose an effective Riemannian gradient descent ascent (RGDA) algorithm for the deterministic minimax optimization. Moreover, we prove that our RGDA has a sample complexity of $O(κ^2ε^{-2})$ for finding an $ε$-stationary solution of the Geodesically-Nonconvex Strongly-Concave (GNSC) minimax problems, where $κ$ denotes the condition number. At the same time, we present an effective Riemannian stochas…
Peking University（北京大学）；Beijing Institute of Big Data Research（北京大数据研究院）
Understanding the behavior of stochastic gradient descent (SGD) in the context of deep neural networks has raised lots of concerns recently. Along this line, we study a general form of gradient based optimization dynamics with unbiased noise, which unifies SGD and standard Langevin dynamics. Through investigating this general optimization dynamics, we analyze the behavior of SGD on escaping from minima and its regularization effects. A novel indicator is derived to characterize the efficiency of escaping from minima through measuring the alignment of noise covariance and the curvature of loss …
Alternating gradient-descent-ascent (AltGDA) is an optimization algorithm that has been widely used for model training in various machine learning applications, which aims to solve a nonconvex minimax optimization problem. However, the existing studies show that it suffers from a high computation complexity in nonconvex minimax optimization. In this paper, we develop a single-loop and fast AltGDA-type algorithm that leverages proximal gradient updates and momentum acceleration to solve regularized nonconvex minimax optimization problems. By leveraging the momentum acceleration technique, we pr…
This paper studies early-stopped mirror descent applied to noisy sparse phase retrieval, which is the problem of recovering a $k$-sparse signal $\mathbf{x}^\star\in\mathbb{R}^n$ from a set of quadratic Gaussian measurements corrupted by sub-exponential noise. We consider the (non-convex) unregularized empirical risk minimization problem and show that early-stopped mirror descent, when equipped with the hyperbolic entropy mirror map and proper initialization, achieves a nearly minimax-optimal rate of convergence, provided the sample size is at least of order $k^2$ (modulo logarithmic term) and …
California Institute of Technology（加州理工学院）；Department of Computing and Mathematical Sciences（计算与数学科学系）；Department of Electrical Engineering（电气工程系）
Stochastic descent methods (of the gradient and mirror varieties) have become increasingly popular in optimization. In fact, it is now widely recognized that the success of deep learning is not only due to the special deep architecture of the models, but also due to the behavior of the stochastic descent methods used, which play a key role in reaching "good" solutions that generalize well to unseen data. In an attempt to shed some light on why this is the case, we revisit some minimax properties of stochastic gradient descent (SGD) for the square loss of linear models---originally developed in…
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 …
Loss functions with non-isolated minima have emerged in several machine learning problems, creating a gap between theory and practice. In this paper, we formulate a new type of local convexity condition that is suitable to describe the behavior of loss functions near non-isolated minima. We show that such condition is general enough to encompass many existing conditions. In addition we study the local convergence of the SGD under this mild condition by adopting the notion of stochastic stability. The corresponding concentration inequalities from the convergence analysis help to interpret the e…
The Hong Kong University of Science and Technology（香港科技大学）；The Chinese University of Hong Kong, Shenzhen（香港中文大学（深圳））；Shenzhen Research Institute of Big Data（深圳大数据研究院）
We consider nonconvex-concave minimax optimization problems of the form $\min_{\bf x}\max_{\bf y\in{\mathcal Y}} f({\bf x},{\bf y})$, where $f$ is strongly-concave in $\bf y$ but possibly nonconvex in $\bf x$ and ${\mathcal Y}$ is a convex and compact set. We focus on the stochastic setting, where we can only access an unbiased stochastic gradient estimate of $f$ at each iteration. This formulation includes many machine learning applications as special cases such as robust optimization and adversary training. We are interested in finding an ${\mathcal O}(\varepsilon)$-stationary point of the f…
Local SGD is a promising approach to overcome the communication overhead in distributed learning by reducing the synchronization frequency among worker nodes. Despite the recent theoretical advances of local SGD in empirical risk minimization, the efficiency of its counterpart in minimax optimization remains unexplored. Motivated by large scale minimax learning problems, such as adversarial robust learning and training generative adversarial networks (GANs), we propose local Stochastic Gradient Descent Ascent (local SGDA), where the primal and dual variables can be trained locally and averaged…
Adaptive Gradient Regularization: A Faster and Generalizable Optimization Technique for Deep Neural Networks
Great Bay University（大湾区大学）；Illinois Institute of Technology（伊利诺伊理工学院）；The Abdus Salam International Centre for Theoretical Physics（阿卜杜勒·萨拉姆国际理论物理中心）；Peking University（北京大学）；Kyoto University（京都大学）
Carnegie Mellon University（卡内基梅隆大学）；University of Southern California（南加州大学）；Facebook Artificial Intelligence Research（Facebook人工智能研究院）
We consider the problem of learning a one-hidden-layer neural network with non-overlapping convolutional layer and ReLU activation, i.e., $f(\mathbf{Z}, \mathbf{w}, \mathbf{a}) = \sum_j a_jσ(\mathbf{w}^T\mathbf{Z}_j)$, in which both the convolutional weights $\mathbf{w}$ and the output weights $\mathbf{a}$ are parameters to be learned. When the labels are the outputs from a teacher network of the same architecture with fixed weights $(\mathbf{w}^*, \mathbf{a}^*)$, we prove that with Gaussian input $\mathbf{Z}$, there is a spurious local minimizer. Surprisingly, in the presence of the spurious …
Microsoft Research Asia（微软亚洲研究院）；University of Chinese Academy of Sciences（中国科学院大学）
Stochastic gradient descent (SGD) and its variants are mainstream methods to train deep neural networks. Since neural networks are non-convex, more and more works study the dynamic behavior of SGD and the impact to its generalization, especially the escaping efficiency from local minima. However, these works take the over-simplified assumption that the covariance of the noise in SGD is (or can be upper bounded by) constant, although it is actually state-dependent. In this work, we conduct a formal study on the dynamic behavior of SGD with state-dependent noise. Specifically, we show that the c…
Nanjing University of Aeronautics and Astronautics（南京航空航天大学）；University of Pittsburgh（匹兹堡大学）
In the paper, we propose a class of faster adaptive Gradient Descent Ascent (GDA) methods for solving the nonconvex-strongly-concave minimax problems by using the unified adaptive matrices, which include almost all existing coordinate-wise and global adaptive learning rates. In particular, we provide an effective convergence analysis framework for our adaptive GDA methods. Specifically, we propose a fast Adaptive Gradient Descent Ascent (AdaGDA) method based on the basic momentum technique, which reaches a lower gradient complexity of $\tilde{O}(κ^4ε^{-4})$ for finding an $ε$-stationary point …
University of Utah（犹他大学）；The Ohio State University（俄亥俄州立大学）
The gradient descent-ascent (GDA) algorithm has been widely applied to solve minimax optimization problems. In order to achieve convergent policy parameters for minimax optimization, it is important that GDA generates convergent variable sequences rather than convergent sequences of function values or gradient norms. However, the variable convergence of GDA has been proved only under convexity geometries, and there lacks understanding for general nonconvex minimax optimization. This paper fills such a gap by studying the convergence of a more general proximal-GDA for regularized nonconvex-stro…
Google Brain（谷歌大脑）；DeepMind（深度思维）；Google（谷歌）；Columbia University（哥伦比亚大学）
Recent work has argued that stochastic gradient descent can approximate the Bayesian uncertainty in model parameters near local minima. In this work we develop a similar correspondence for minibatch natural gradient descent (NGD). We prove that for sufficiently small learning rates, if the model predictions on the training set approach the true conditional distribution of labels given inputs, the stationary distribution of minibatch NGD approaches a Bayesian posterior near local minima. The temperature $T = εN / (2B)$ is controlled by the learning rate $ε$, training set size $N$ and batch size…
Tsinghua University（清华大学）；University of Toronto（多伦多大学）；Vector Institute（向量研究所）
Many tasks in modern machine learning can be formulated as finding equilibria in \emph{sequential} games. In particular, two-player zero-sum sequential games, also known as minimax optimization, have received growing interest. It is tempting to apply gradient descent to solve minimax optimization given its popularity and success in supervised learning. However, it has been noted that naive application of gradient descent fails to find some local minimax and can converge to non-local-minimax points. In this paper, we propose \emph{Follow-the-Ridge} (FR), a novel algorithm that provably converge…
Minimax-Optimal Generalization Bounds for Smooth Deep Neural Networks Trained by (Stochastic) Gradient Descent
Mathematical Institute for Machine Learning and Data Science, Catholic University of Eichstätt-Ingolstadt（机器学习与数据科学数学研究所，埃施特哈特-因戈尔施塔特天主教大学）；Department of Computer Science, RPTU Kaiserslautern-Landau（计算机科学系，凯斯莱特恩-兰道大学）；Department of Mathematics, The University of Hong Kong（数学系，香港大学）；School of Mathematics and Statistics, The University of Sydney（数学与统计学学院，悉尼大学）
We study convergence properties of Stochastic Gradient Descent (SGD) for convex objectives without assumptions on smoothness or strict convexity. We consider the question of establishing that with high probability the objective evaluated at the candidate minimizer returned by SGD is close to the minimal value of the objective. We compare this result concerning the final candidate minimzer (i.e. the final model parameters learned after all gradient steps) to the online learning techniques of [Zin03] that take a rolling average of the model parameters at the different steps of SGD.
Stochastic gradient descent is a simple approach to find the local minima of a cost function whose evaluations are corrupted by noise. In this paper, we develop a procedure extending stochastic gradient descent algorithms to the case where the function is defined on a Riemannian manifold. We prove that, as in the Euclidian case, the gradient descent algorithm converges to a critical point of the cost function. The algorithm has numerous potential applications, and is illustrated here by four examples. In particular a novel gossip algorithm on the set of covariance matrices is derived and teste…
AI Lab, Institute for Data Science and Analytics, Bocconi University（博科尼大学数据科学与分析研究所人工智能实验室）；Dept. Applied Science and Technology, Politecnico di Torino（都灵理工大学应用科学与技术系）
The properties of flat minima in the empirical risk landscape of neural networks have been debated for some time. Increasing evidence suggests they possess better generalization capabilities with respect to sharp ones. First, we discuss Gaussian mixture classification models and show analytically that there exist Bayes optimal pointwise estimators which correspond to minimizers belonging to wide flat regions. These estimators can be found by applying maximum flatness algorithms either directly on the classifier (which is norm independent) or on the differentiable loss function used in learning…
Cornell University（康奈尔大学）；Google Research（谷歌研究院）；University of Chicago（芝加哥大学）
Unlike nonconvex optimization, where gradient descent is guaranteed to converge to a local optimizer, algorithms for nonconvex-nonconcave minimax optimization can have topologically different solution paths: sometimes converging to a solution, sometimes never converging and instead following a limit cycle, and sometimes diverging. In this paper, we study the limiting behaviors of three classic minimax algorithms: gradient descent ascent (GDA), alternating gradient descent ascent (AGDA), and the extragradient method (EGM). Numerically, we observe that all of these limiting behaviors can arise i…
Department of Electrical and Computer Engineering, University of California, Riverside（加州大学河滨分校电气与计算机工程系）；Ming Hsieh Department of Electrical Engineering, University of Southern California（南加州大学明谢电气工程系）；University of California, Riverside（加州大学河滨分校）；University of Southern California（南加州大学）
Many modern learning tasks involve fitting nonlinear models to data which are trained in an overparameterized regime where the parameters of the model exceed the size of the training dataset. Due to this overparameterization, the training loss may have infinitely many global minima and it is critical to understand the properties of the solutions found by first-order optimization schemes such as (stochastic) gradient descent starting from different initializations. In this paper we demonstrate that when the loss has certain properties over a minimally small neighborhood of the initial point, fi…
A method named simple2complex for modeling and training deep neural networks is proposed. Simple2complex train deep neural networks by smoothly adding more and more layers to the shallow networks, as the learning procedure going on, the network is just like growing. Compared with learning by end2end, simple2complex is with less possibility trapping into local minimal, namely, owning ability for global optimization. Cifar10 is used for verifying the superiority of simple2complex.
We study online convex optimization under stochastic sub-gradient observation faults, where we introduce adaptive algorithms with minimax optimal regret guarantees. We specifically study scenarios where our sub-gradient observations can be noisy or even completely missing in a stochastic manner. To this end, we propose algorithms based on sub-gradient descent method, which achieve tight minimax optimal regret bounds. When necessary, these algorithms utilize properties of the underlying stochastic settings to optimize their learning rates (step sizes). These optimizations are the main factor in…
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…
We propose a family of nonconvex optimization algorithms that are able to save gradient and negative curvature computations to a large extent, and are guaranteed to find an approximate local minimum with improved runtime complexity. At the core of our algorithms is the division of the entire domain of the objective function into small and large gradient regions: our algorithms only perform gradient descent based procedure in the large gradient region, and only perform negative curvature descent in the small gradient region. Our novel analysis shows that the proposed algorithms can escape the s…
University of California at Los Angeles（加州大学洛杉矶分校）；University of Texas at Austin（德克萨斯大学奥斯汀分校）
Gradient descent is a simple and widely used optimization method for machine learning. For homogeneous linear classifiers applied to separable data, gradient descent has been shown to converge to the maximal margin (or equivalently, the minimal norm) solution for various smooth loss functions. The previous theory does not, however, apply to non-smooth functions such as the hinge loss which is widely used in practice. Here, we study the convergence of a homotopic variant of gradient descent applied to the hinge loss and provide explicit convergence rates to the max-margin solution for linearly …
University of Cambridge（剑桥大学）；Harvard University（哈佛大学）
Finding parameters that minimise a loss function is at the core of many machine learning methods. The Stochastic Gradient Descent algorithm is widely used and delivers state of the art results for many problems. Nonetheless, Stochastic Gradient Descent typically cannot find the global minimum, thus its empirical effectiveness is hitherto mysterious. We derive a correspondence between parameter inference and free energy minimisation in statistical physics. The degree of undersampling plays the role of temperature. Analogous to the energy-entropy competition in statistical physics, wide but shal…
The Ohio State University（俄亥俄州立大学）；Seoul National University（首尔国立大学）
Minimax optimization plays a key role in adversarial training of machine learning algorithms, such as learning generative models, domain adaptation, privacy preservation, and robust learning. In this paper, we demonstrate the failure of alternating gradient descent in minimax optimization problems due to the discontinuity of solutions of the inner maximization. To address this, we propose a new epsilon-subgradient descent algorithm that addresses this problem by simultaneously tracking K candidate solutions. Practically, the algorithm can find solutions that previous saddle-point algorithms ca…
