The Wasserstein distance has become increasingly important in machine learning and deep learning. Despite its popularity, the Wasserstein distance is hard to approximate because of the curse of dimensionality. A recently proposed approach to alleviate the curse of dimensionality is to project the sampled data from the high dimensional probability distribution onto a lower-dimensional subspace, and then compute the Wasserstein distance between the projected data. However, this approach requires to solve a max-min problem over the Stiefel manifold, which is very challenging in practice. The only existing work that solves this problem directly is the RGAS (Riemannian Gradient Ascent with Sinkhorn Iteration) algorithm, which requires to solve an entropy-regularized optimal transport problem in each iteration, and thus can be costly for large-scale problems. In this paper, we propose a Riemannian block coordinate descent (RBCD) method to solve this problem, which is based on a novel reformulation of the regularized max-min problem over the Stiefel manifold. We show that the complexity of arithmetic operations for RBCD to obtain an $ε$-stationary point is $O(ε^{-3})$. This significantly improves the corresponding complexity of RGAS, which is $O(ε^{-12})$. Moreover, our RBCD has very low per-iteration complexity, and hence is suitable for large-scale problems. Numerical results on both synthetic and real datasets demonstrate that our method is more efficient than existing methods, especially when the number of sampled data is very large.
University of California, Berkeley（加州大学伯克利分校）；The Chinese University of Hong Kong, Shenzhen（香港中文大学（深圳））；University of Texas, Austin（德克萨斯大学奥斯汀分校）；CREST - ENSAE（法国国家统计与经济管理学院经济与统计研究中心）；Google Brain（谷歌大脑）
Projection robust Wasserstein (PRW) distance, or Wasserstein projection pursuit (WPP), is a robust variant of the Wasserstein distance. Recent work suggests that this quantity is more robust than the standard Wasserstein distance, in particular when comparing probability measures in high-dimensions. However, it is ruled out for practical application because the optimization model is essentially non-convex and non-smooth which makes the computation intractable. Our contribution in this paper is to revisit the original motivation behind WPP/PRW, but take the hard route of showing that, despite i…
Stanford University（斯坦福大学）；The University of Texas at Austin（德克萨斯大学奥斯汀分校）；University of South Carolina（南卡罗来纳大学）
We propose a projected Wasserstein gradient descent method (pWGD) for high-dimensional Bayesian inference problems. The underlying density function of a particle system of WGD is approximated by kernel density estimation (KDE), which faces the long-standing curse of dimensionality. We overcome this challenge by exploiting the intrinsic low-rank structure in the difference between the posterior and prior distributions. The parameters are projected into a low-dimensional subspace to alleviate the approximation error of KDE in high dimensions. We formulate a projected Wasserstein gradient flow an…
In this paper, we comparatively analyze the Bures-Wasserstein (BW) geometry with the popular Affine-Invariant (AI) geometry for Riemannian optimization on the symmetric positive definite (SPD) matrix manifold. Our study begins with an observation that the BW metric has a linear dependence on SPD matrices in contrast to the quadratic dependence of the AI metric. We build on this to show that the BW metric is a more suitable and robust choice for several Riemannian optimization problems over ill-conditioned SPD matrices. We show that the BW geometry has a non-negative curvature, which further im…
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…
University of California Berkeley（加州大学伯克利分校）；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）
We consider the minimization of a function defined on a Riemannian manifold $\mathcal{M}$ accessible only through unbiased estimates of its gradients. We develop a geometric framework to transform a sequence of slowly converging iterates generated from stochastic gradient descent (SGD) on $\mathcal{M}$ to an averaged iterate sequence with a robust and fast $O(1/n)$ convergence rate. We then present an application of our framework to geodesically-strongly-convex (and possibly Euclidean non-convex) problems. Finally, we demonstrate how these ideas apply to the case of streaming $k$-PCA, where we…
Particle-based variational inference offers a flexible way of approximating complex posterior distributions with a set of particles. In this paper we introduce a new particle-based variational inference method based on the theory of semi-discrete optimal transport. Instead of minimizing the KL divergence between the posterior and the variational approximation, we minimize a semi-discrete optimal transport divergence. The solution of the resulting optimal transport problem provides both a particle approximation and a set of optimal transportation densities that map each particle to a segment of…
Microsoft Research（微软研究院）；Toyota Technological Institute at Chicago（芝加哥丰田技术研究所）
We present a primal only derivation of Mirror Descent as a "partial" discretization of gradient flow on a Riemannian manifold where the metric tensor is the Hessian of the Mirror Descent potential. We contrast this discretization to Natural Gradient Descent, which is obtained by a "full" forward Euler discretization. This view helps shed light on the relationship between the methods and allows generalizing Mirror Descent to general Riemannian geometries, even when the metric tensor is {\em not} a Hessian, and thus there is no "dual."
Uniform-in-Time Wasserstein Stability Bounds for (Noisy) Stochastic Gradient Descent
Florida State University（佛罗里达州立大学）；Rutgers Business School（罗格斯商学院）；Princeton University（普林斯顿大学）；University of Illinois Urbana-Champaign（伊利诺伊大学厄巴纳-香槟分校）
We provide theoretical complexity analysis for new algorithms to compute the optimal transport (OT) distance between two discrete probability distributions, and demonstrate their favorable practical performance over state-of-art primal-dual algorithms and their capability in solving other problems in large-scale, such as the Wasserstein barycenter problem for multiple probability distributions. First, we introduce the \emph{accelerated primal-dual randomized coordinate descent} (APDRCD) algorithm for computing the OT distance. We provide its complexity upper bound $\bigOtil(\frac{n^{5/2}}{\var…
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…
We provide the first experimental results on non-synthetic datasets for the quasi-diagonal Riemannian gradient descents for neural networks introduced in [Ollivier, 2015]. These include the MNIST, SVHN, and FACE datasets as well as a previously unpublished electroencephalogram dataset. The quasi-diagonal Riemannian algorithms consistently beat simple stochastic gradient gradient descents by a varying margin. The computational overhead with respect to simple backpropagation is around a factor $2$. Perhaps more interestingly, these methods also reach their final performance quickly, thus requiri…
In this paper, we propose a new global analysis framework for a class of low-rank matrix recovery problems on the Riemannian manifold. We analyze the global behavior for the Riemannian optimization with random initialization. We use the Riemannian gradient descent algorithm to minimize a least squares loss function, and study the asymptotic behavior as well as the exact convergence rate. We reveal a previously unknown geometric property of the low-rank matrix manifold, which is the existence of spurious critical points for the simple least squares function on the manifold. We show that under s…
Convergence of flow-based generative models via proximal gradient descent in Wasserstein space
Department of Mathematics, Duke University（杜克大学数学系）；Department of Physics and Department of Chemistry, Duke University（杜克大学物理系和化学系）；H. Milton Stewart School of Industrial and Systems Engineering, Georgia Institute of Technology（佐治亚理工学院H. Milton Stewart工业与系统工程学院）
Gaussian mixture models form a flexible and expressive parametric family of distributions that has found applications in a wide variety of applications. Unfortunately, fitting these models to data is a notoriously hard problem from a computational perspective. Currently, only moment-based methods enjoy theoretical guarantees while likelihood-based methods are dominated by heuristics such as Expectation-Maximization that are known to fail in simple examples. In this work, we propose a new algorithm to compute the nonparametric maximum likelihood estimator (NPMLE) in a Gaussian mixture model. Ou…
University of Wisconsin-Madison（威斯康星大学麦迪逊分校）；Duke University（杜克大学）
Information geometry applies concepts in differential geometry to probability and statistics and is especially useful for parameter estimation in exponential families where parameters are known to lie on a Riemannian manifold. Connections between the geometric properties of the induced manifold and statistical properties of the estimation problem are well-established. However developing first-order methods that scale to larger problems has been less of a focus in the information geometry community. The best known algorithm that incorporates manifold structure is the second-order natural gradie…
Stein Variational Gradient Descent (SVGD), a popular sampling algorithm, is often described as the kernelized gradient flow for the Kullback-Leibler divergence in the geometry of optimal transport. We introduce a new perspective on SVGD that instead views SVGD as the (kernelized) gradient flow of the chi-squared divergence which, we show, exhibits a strong form of uniform exponential ergodicity under conditions as weak as a Poincaré inequality. This perspective leads us to propose an alternative to SVGD, called Laplacian Adjusted Wasserstein Gradient Descent (LAWGD), that can be implemented fr…
Skolkovo Institute of Science and Technology（斯科尔科沃科学技术学院）；Moscow Institute of Physics and Technology（莫斯科物理技术学院）；Massachusetts Institute of Technology（麻省理工学院）；Artificial Intelligence Research Institute（人工智能研究所）
Wasserstein gradient flows provide a powerful means of understanding and solving many diffusion equations. Specifically, Fokker-Planck equations, which model the diffusion of probability measures, can be understood as gradient descent over entropy functionals in Wasserstein space. This equivalence, introduced by Jordan, Kinderlehrer and Otto, inspired the so-called JKO scheme to approximate these diffusion processes via an implicit discretization of the gradient flow in Wasserstein space. Solving the optimization problem associated to each JKO step, however, presents serious computational chal…
The proliferation of large data sets and Bayesian inference techniques motivates demand for better data sparsification. Coresets provide a principled way of summarizing a large dataset via a smaller one that is guaranteed to match the performance of the full data set on specific problems. Classical coresets, however, neglect the underlying data distribution, which is often continuous. We address this oversight by introducing Wasserstein measure coresets, an extension of coresets which by definition takes into account generalization. Our formulation of the problem, which essentially consists in…
Texas A&M University（德克萨斯农工大学）；University of Minnesota（明尼苏达大学）
We consider a distributed non-convex optimization where a network of agents aims at minimizing a global function over the Stiefel manifold. The global function is represented as a finite sum of smooth local functions, where each local function is associated with one agent and agents communicate with each other over an undirected connected graph. The problem is non-convex as local functions are possibly non-convex (but smooth) and the Steifel manifold is a non-convex set. We present a decentralized Riemannian stochastic gradient method (DRSGD) with the convergence rate of $\mathcal{O}(1/\sqrt{K…
Discretized Langevin diffusions are efficient Monte Carlo methods for sampling from high dimensional target densities that are log-Lipschitz-smooth and (strongly) log-concave. In particular, the Euclidean Langevin Monte Carlo sampling algorithm has received much attention lately, leading to a detailed understanding of its non-asymptotic convergence properties and of the role that smoothness and log-concavity play in the convergence rate. Distributions that do not possess these regularity properties can be addressed by considering a Riemannian Langevin diffusion with a metric capturing the loca…
MIT CSAIL（麻省理工学院计算机科学与人工智能实验室）；IBM Research（IBM研究院）；MIT-IBM Watson AI Lab（麻省理工学院-IBM沃森人工智能实验室）
Wasserstein barycenters provide a geometrically meaningful way to aggregate probability distributions, built on the theory of optimal transport. They are difficult to compute in practice, however, leading previous work to restrict their supports to finite sets of points. Leveraging a new dual formulation for the regularized Wasserstein barycenter problem, we introduce a stochastic algorithm that constructs a continuous approximation of the barycenter. We establish strong duality and use the corresponding primal-dual relationship to parametrize the barycenter implicitly using the dual potential…
Adversarial examples are crafted by adding indistinguishable perturbations to normal examples in order to fool a well-trained deep learning model to misclassify. In the context of computer vision, this notion of indistinguishability is typically bounded by $L_{\infty}$ or other norms. However, these norms are not appropriate for measuring indistinguishiability for time series data. In this work, we propose adversarial examples in the Wasserstein space for time series data for the first time and utilize Wasserstein distance to bound the perturbation between normal examples and adversarial examp…
Last-Iterate Convergence of Adaptive Riemannian Gradient Descent for Equilibrium Computation
Department of Computer Science, Yale University（耶鲁大学计算机科学系）；Department of Electrical Engineering and Computer Sciences, UC Berkeley（加州大学伯克利分校电气工程与计算机科学系）；Department of Industrial Engineering and Operations Research, Columbia University（哥伦比亚大学工业工程与运筹学系）；Department of Computer Sciences, University of Wisconsin-Madison（威斯康星大学麦迪逊分校计算机科学系）
Finite-Particle Rates for Regularized Stein Variational Gradient Descent
Department of Mathematics, Georgia Institute of Technology（佐治亚理工学院数学系）；Department of Statistics, University of California, Davis（加州大学戴维斯分校统计系）；Department of Statistics and Operations Research, University of North Carolina, Chapel Hill（北卡罗来纳大学夏洛特分校统计与运筹学系）；Department of Statistics, University of Chicago（芝加哥大学统计系）
Georgia Institute of Technology（佐治亚理工学院）；IBM Research（IBM研究院）；Universidad San Pablo-CEU, CEU Universities（CEU大学圣巴勃罗校区）
This work focuses on designing low complexity hybrid tensor networks by considering trade-offs between the model complexity and practical performance. Firstly, we exploit a low-rank tensor-train deep neural network (TT-DNN) to build an end-to-end deep learning pipeline, namely LR-TT-DNN. Secondly, a hybrid model combining LR-TT-DNN with a convolutional neural network (CNN), which is denoted as CNN+(LR-TT-DNN), is set up to boost the performance. Instead of randomly assigning large TT-ranks for TT-DNN, we leverage Riemannian gradient descent to determine a TT-DNN associated with small TT-ranks.…
Kyoto University（京都大学）；RIKEN AIP（理化学研究所先进智能项目中心）；Facebook AI Research（脸书人工智能研究院）；SliceX AI（SliceX人工智能）
The Wasserstein barycenter has been widely studied in various fields, including natural language processing, and computer vision. However, it requires a high computational cost to solve the Wasserstein barycenter problem because the computation of the Wasserstein distance requires a quadratic time with respect to the number of supports. By contrast, the Wasserstein distance on a tree, called the tree-Wasserstein distance, can be computed in linear time and allows for the fast comparison of a large number of distributions. In this study, we propose a barycenter under the tree-Wasserstein distan…
We propose iterative algorithms to solve adversarial problems in a variety of supervised learning settings of interest. Our algorithms, which can be interpreted as suitable ascent-descent dynamics in Wasserstein spaces, take the form of a system of interacting particles. These interacting particle dynamics are shown to converge toward appropriate mean-field limit equations in certain large number of particles regimes. In turn, we prove that, under certain regularity assumptions, these mean-field equations converge, in the large time limit, toward approximate Nash equilibria of the original adv…
Stanford University（斯坦福大学）；Florida State University（佛罗里达州立大学）
We introduce a theoretical framework for performing statistical tasks---including, but not limited to, averaging and principal component analysis---on the space of (possibly asymmetric) matrices with arbitrary entries and sizes. This is carried out under the lens of the Gromov-Wasserstein (GW) distance, and our methods translate the Riemannian framework of GW distances developed by Sturm into practical, implementable tools for network data analysis. Our methods are illustrated on datasets of letter graphs, asymmetric stochastic blockmodel networks, and planar shapes viewed as metric spaces. On…
Linear convergence of proximal descent schemes on the Wasserstein space
Center for Advanced Intelligence Project, RIKEN, Tokyo, Japan（日本东京RIKEN先进智能研究中心）；School of Mathematical and Computer Sciences, Heriot-Watt University, Edinburgh, UK（赫瑞-瓦特大学数学与计算机科学学院）；Maxwell Institute for Mathematical Sciences, Edinburgh, UK（爱丁堡数学科学麦克斯韦研究所）；School of Mathematics, University of Edinburgh, UK（爱丁堡大学数学学院）；School of Mathematics, University of Edinburgh, UK, The Alan Turing Institute, UK（爱丁堡大学数学学院、英国艾伦·图灵研究所）
University of California, Santa Barbara（加州大学圣巴巴拉分校）
Recurrent Variational Autoencoder has been widely used for language modeling and text generation tasks. These models often face a difficult optimization problem, also known as the Kullback-Leibler (KL) term vanishing issue, where the posterior easily collapses to the prior, and the model will ignore latent codes in generative tasks. To address this problem, we introduce an improved Wasserstein Variational Autoencoder (WAE) with Riemannian Normalizing Flow (RNF) for text modeling. The RNF transforms a latent variable into a space that respects the geometric characteristics of input space, which…
Beijing Jiaotong University（北京交通大学）；The Hong Kong Polytechnic University（香港理工大学）；University of California, Davis（加利福尼亚大学戴维斯分校）
In this paper, we propose a Riemannian smoothing steepest descent method to minimize a nonconvex and non-Lipschitz function on submanifolds. The generalized subdifferentials on Riemannian manifold and the Riemannian gradient sub-consistency are defined and discussed. We prove that any accumulation point of the sequence generated by the Riemannian smoothing steepest descent method is a stationary point associated with the smoothing function employed in the method, which is necessary for the local optimality of the original non-Lipschitz problem. Under the Riemannian gradient sub-consistency con…
One-Step Generation via Riemannian Wasserstein Gradient Flows
Mohamed bin Zayed University of Artificial Intelligence（穆罕默德·本·扎耶德人工智能大学）；Korea Advanced Institute of Science and Technology (KAIST)（韩国科学技术院（KAIST））；Applied AI Institute（应用人工智能研究所）；AXXX；University of Amsterdam（阿姆斯特丹大学）；EPITA（EPITA（法国高等信息技术学院））
In this paper, We propose a general Riemannian proximal optimization algorithm with guaranteed convergence to solve Markov decision process (MDP) problems. To model policy functions in MDP, we employ Gaussian mixture model (GMM) and formulate it as a nonconvex optimization problem in the Riemannian space of positive semidefinite matrices. For two given policy functions, we also provide its lower bound on policy improvement by using bounds derived from the Wasserstein distance of GMMs. Preliminary experiments show the efficacy of our proposed Riemannian proximal policy optimization algorithm.
Learning to Normalize on the SPD Manifold under Bures-Wasserstein Geometry
School of Artificial Intelligence and Computer Science, Jiangnan University（江南大学人工智能与计算机学院）；Department of Information Engineering and Computer Science, University of Trento（特伦托大学信息工程与计算机科学系）
