A common tool in the practice of Markov Chain Monte Carlo is to use approximating transition kernels to speed up computation when the true kernel is slow to evaluate. A relatively limited set of quantitative tools exist to determine whether the performance of such approximations will be well behaved and to assess the quality of approximation. We derive a set a tools for such analysis based on the Hilbert space generated by the stationary distribution we intend to sample, @math . The focus of our work is on determining whether the approximating kernel (i.e. perturbation) will preserve the geometric ergodicity of the chain, and whether the approximating stationary distribution will be close to the original stationary distribution. Our results directly generalise the results of johndrow2015approximations from the uniformly ergodic case to the geometrically ergodic case. We then apply our results to the class of Noisy MCMC' algorithms.
Lastly, Rudolf and Schweizer @cite_6 also use the Wasserstein topology. They focus on approximate MCMC algorithms, with applications to autoregressive processes and stochastic Langevin algorithms for Gibbs random fields. Their results use the following assumptions: the original kernel is Wasserstein ergodic; a Lyapunov drift condition for perturbed kernel is given, with drift function @math ; @math has finite expectation under the initial distribution; and the perturbation operator is uniformly bounded in a @math -normalised Wasserstein norm. Their main results are: explicit bounds on the Wasserstein distance between the original and perturbed finite time sampling distributions; and explicit bounds on the Wasserstein distance between stationary distributions.
@cite_6
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In this paper, we study the problem of sampling from a given probability density function that is known to be smooth and strongly log-concave. We analyze several methods of approximate sampling based on discretizations of the (highly overdamped) Langevin diffusion and establish guarantees on its error measured in the Wasserstein-2 distance. Our guarantees improve or extend the state-of-the-art results in three directions. First, we provide an upper bound on the error of the first-order Langevin Monte Carlo (LMC) algorithm with optimized varying step-size. This result has the advantage of being horizon free (we do not need to know in advance the target precision) and to improve by a logarithmic factor the corresponding result for the constant step-size. Second, we study the case where accurate evaluations of the gradient of the log-density are unavailable, but one can have access to approximations of the aforementioned gradient. In such a situation, we consider both deterministic and stochastic approximations of the gradient and provide an upper bound on the sampling error of the first-order LMC that quantifies the impact of the gradient evaluation inaccuracies. Third, we establish upper bounds for two versions of the second-order LMC, which leverage the Hessian of the log-density. We nonasymptotic guarantees on the sampling error of these second-order LMCs. These guarantees reveal that the second-order LMC algorithms improve on the first-order LMC in ill-conditioned settings. Perturbation theory for Markov chains addresses the question how small differences in the transitions of Markov chains are reflected in differences between their distributions. We prove powerful and flexible bounds on the distance of the @math th step distributions of two Markov chains when one of them satisfies a Wasserstein ergodicity condition. Our work is motivated by the recent interest in approximate Markov chain Monte Carlo (MCMC) methods in the analysis of big data sets. By using an approach based on Lyapunov functions, we provide estimates for geometrically ergodic Markov chains under weak assumptions. In an autoregressive model, our bounds cannot be improved in general. We illustrate our theory by showing quantitative estimates for approximate versions of two prominent MCMC algorithms, the Metropolis-Hastings and stochastic Langevin algorithms. We study the underdamped Langevin diffusion when the log of the target distribution is smooth and strongly concave. We present a MCMC algorithm based on its discretization and show that it achieves @math error (in 2-Wasserstein distance) in @math steps. This is a significant improvement over the best known rate for overdamped Langevin MCMC, which is @math steps under the same smoothness concavity assumptions. The underdamped Langevin MCMC scheme can be viewed as a version of Hamiltonian Monte Carlo (HMC) which has been observed to outperform overdamped Langevin MCMC methods in a number of application areas. We provide quantitative rates that support this empirical wisdom. Discrete time analogues of ergodic stochastic differential equations (SDEs) are one of the most popular and flexible tools for sampling high-dimensional probability measures. Non-asymptotic analysis in the @math Wasserstein distance of sampling algorithms based on Euler discretisations of SDEs has been recently developed by several authors for log-concave probability distributions. In this work we replace the log-concavity assumption with a log-concavity at infinity condition. We provide novel @math convergence rates for Euler schemes, expressed explicitly in terms of problem parameters. From there we derive non-asymptotic bounds on the distance between the laws induced by Euler schemes and the invariant laws of SDEs, both for schemes with standard and with randomised (inaccurate) drifts. We also obtain bounds for the hierarchy of discretisation, which enables us to deploy a multi-level Monte Carlo estimator. Our proof relies on a novel construction of a coupling for the Markov chains that can be used to control both the @math and @math Wasserstein distances simultaneously. Finally, we provide a weak convergence analysis that covers both the standard and the randomised (inaccurate) drift case. In particular, we reveal that the variance of the randomised drift does not influence the rate of weak convergence of the Euler scheme to the SDE. We formulate gradient-based Markov chain Monte Carlo (MCMC) sampling as optimization on the space of probability measures, with Kullback-Leibler (KL) divergence as the objective function. We show that an underdamped form of the Langevin algorithm perform accelerated gradient descent in this metric. To characterize the convergence of the algorithm, we construct a Lyapunov functional and exploit hypocoercivity of the underdamped Langevin algorithm. As an application, we show that accelerated rates can be obtained for a class of nonconvex functions with the Langevin algorithm. Recent advances in Bayesian learning with large-scale data have witnessed emergence of stochastic gradient MCMC algorithms (SG-MCMC), such as stochastic gradient Langevin dynamics (SGLD), stochastic gradient Hamiltonian MCMC (SGHMC), and the stochastic gradient thermostat. While finite-time convergence properties of the SGLD with a 1st-order Euler integrator have recently been studied, corresponding theory for general SG-MCMCs has not been explored. In this paper we consider general SG-MCMCs with high-order integrators, and develop theory to analyze finite-time convergence properties and their asymptotic invariant measures. Our theoretical results show faster convergence rates and more accurate invariant measures for SG-MCMCs with higher-order integrators. For example, with the proposed efficient 2nd-order symmetric splitting integrator, the mean square error (MSE) of the posterior average for the SGHMC achieves an optimal convergence rate of L-4 5 at L iterations, compared to L-2 3 for the SGHMC and SGLD with 1st-order Euler integrators. Furthermore, convergence results of decreasing-step-size SG-MCMCs are also developed, with the same convergence rates as their fixed-step-size counterparts for a specific decreasing sequence. Experiments on both synthetic and real datasets verify our theory, and show advantages of the proposed method in two large-scale real applications. Recently, Stochastic Gradient Markov Chain Monte Carlo (SG-MCMC) methods have been proposed for scaling up Monte Carlo computations to large data problems. Whilst these approaches have proven useful in many applications, vanilla SG-MCMC might suffer from poor mixing rates when random variables exhibit strong couplings under the target densities or big scale differences. In this study, we propose a novel SG-MCMC method that takes the local geometry into account by using ideas from Quasi-Newton optimization methods. These second order methods directly approximate the inverse Hessian by using a limited history of samples and their gradients. Our method uses dense approximations of the inverse Hessian while keeping the time and memory complexities linear with the dimension of the problem. We provide a formal theoretical analysis where we show that the proposed method is asymptotically unbiased and consistent with the posterior expectations. We illustrate the effectiveness of the approach on both synthetic and real datasets. Our experiments on two challenging applications show that our method achieves fast convergence rates similar to Riemannian approaches while at the same time having low computational requirements similar to diagonal preconditioning approaches. The ergodic properties of SDEs, and various time discretizations for SDEs, are studied. The ergodicity of SDEs is established by using techniques from the theory of Markov chains on general state spaces, such as that expounded by Meyn-Tweedie. Application of these Markov chain results leads to straightforward proofs of geometric ergodicity for a variety of SDEs, including problems with degenerate noise and for problems with locally Lipschitz vector fields. Applications where this theory can be usefully applied include damped-driven Hamiltonian problems (the Langevin equation), the Lorenz equation with degenerate noise and gradient systems. The same Markov chain theory is then used to study time-discrete approximations of these SDEs. The two primary ingredients for ergodicity are a minorization condition and a Lyapunov condition. It is shown that the minorization condition is robust under approximation. For globally Lipschitz vector fields this is also true of the Lyapunov condition. However in the locally Lipschitz case the Lyapunov condition fails for explicit methods such as Euler-Maruyama; for pathwise approximations it is, in general, only inherited by specially constructed implicit discretizations. Examples of such discretization based on backward Euler methods are given, and approximation of the Langevin equation studied in some detail. In this paper, we revisit the recently established theoretical guarantees for the convergence of the Langevin Monte Carlo algorithm of sampling from a smooth and (strongly) log-concave density. We improve the existing results when the convergence is measured in the Wasserstein distance and provide further insights on the very tight relations between, on the one hand, the Langevin Monte Carlo for sampling and, on the other hand, the gradient descent for optimization. Finally, we also establish guarantees for the convergence of a version of the Langevin Monte Carlo algorithm that is based on noisy evaluations of the gradient. We study the problem of sampling from a distribution where the negative logarithm of the target density is @math -smooth everywhere and @math -strongly convex outside a ball of radius @math , but potentially non-convex inside this ball. We study both overdamped and underdamped Langevin MCMC and prove upper bounds on the time required to obtain a sample from a distribution that is within @math of the target distribution in @math -Wasserstein distance. For the first-order method (overdamped Langevin MCMC), the time complexity is @math , where @math is the dimension of the underlying space. For the second-order method (underdamped Langevin MCMC), the time complexity is @math for some explicit positive constant @math . Surprisingly, the convergence rate is only polynomial in the dimension @math and the target accuracy @math . It is however exponential in the problem parameter @math , which is a measure of non-logconcavity of the target distribution. Stochastic Gradient Descent with a constant learning rate (constant SGD) simulates a Markov chain with a stationary distribution. With this perspective, we derive several new results. (1) We show that constant SGD can be used as an approximate Bayesian posterior inference algorithm. Specifically, we show how to adjust the tuning parameters of constant SGD to best match the stationary distribution to a posterior, minimizing the Kullback-Leibler divergence between these two distributions. (2) We demonstrate that constant SGD gives rise to a new variational EM algorithm that optimizes hyperparameters in complex probabilistic models. (3) We also propose SGD with momentum for sampling and show how to adjust the damping coefficient accordingly. (4) We analyze MCMC algorithms. For Langevin Dynamics and Stochastic Gradient Fisher Scoring, we quantify the approximation errors due to finite learning rates. Finally (5), we use the stochastic process perspective to give a short proof of why Polyak averaging is optimal. Based on this idea, we propose a scalable approximate MCMC algorithm, the Averaged Stochastic Gradient Sampler. This paper proposes a new definition of the averaging of discrete probability distributions as a barycenter over the Monge-Kantorovich optimal transport space. To overcome the time complexity involved by the numerical solving of such problem, the original Wasserstein metric is replaced by a sliced approximation over 1D distributions. This enables us to introduce a new fast gradient descent algorithm to compute Wasserstein barycenters of point clouds. This new notion of barycenter of probabilities is likely to find applications in computer vision where one wants to average features defined as distributions. We show an application to texture synthesis and mixing, where a texture is characterized by the distribution of the response to a multi-scale oriented filter bank. This leads to a simple way to navigate over a convex domain of color textures. We present new algorithms to compute the mean of a set of empirical probability measures under the optimal transport metric. This mean, known as the Wasserstein barycenter, is the measure that minimizes the sum of its Wasserstein distances to each element in that set. We propose two original algorithms to compute Wasserstein barycenters that build upon the subgradient method. A direct implementation of these algorithms is, however, too costly because it would require the repeated resolution of large primal and dual optimal transport problems to compute subgradients. Extending the work of Cuturi (2013), we propose to smooth the Wasserstein distance used in the definition of Wasserstein barycenters with an entropic regularizer and recover in doing so a strictly convex objective whose gradients can be computed for a considerably cheaper computational cost using matrix scaling algorithms. We use these algorithms to visualize a large family of images and to solve a constrained clustering problem. Sampling distribution over high-dimensional state-space is a problem which has recently attracted a lot of research efforts; applications include Bayesian non-parametrics, Bayesian inverse problems and aggregation of estimators. All these problems boil down to sample a target distribution @math having a density the Lebesgue measure on @math , known up to a normalisation factor @math where @math is continuously differentiable and smooth. In this paper, we study a sampling technique based on the Euler discretization of the Langevin stochastic differential equation. Contrary to the Metropolis Adjusted Langevin Algorithm (MALA), we do not apply a Metropolis-Hastings correction. We obtain for both constant and decreasing step sizes in the Euler discretization, non-asymptotic bounds for the convergence to stationarity in both total variation and Wasserstein distances. A particular attention is paid on the dependence on the dimension of the state space, to demonstrate the applicability of this method in the high dimensional setting, at least when @math is convex. These bounds are based on recently obtained estimates of the convergence of the Langevin diffusion to stationarity using Poincar 'e and log-Sobolev inequalities. These bounds improve and extend the results of (Dalalyan, 2014). We also investigate the convergence of an appropriately weighted empirical measure and we report sharp bounds for the mean square error and exponential deviation inequality for Lipschitz functions. A limited Monte Carlo experiment is carried out to support our findings. We consider the spectral problem for the random Schrodinger operator on the multidimensional lattice torus increasing to the whole of lattice, with an i.i.d. potential (Anderson Hamiltonian). We obtain the explicit almost sure asymptotic expansion formulas for the extreme eigenvalues and eigenfunctions in the intermediate rank case, provided the upper distributional tails of potential decay at infinity slower than the double exponential function. For the fractional-exponential tails (including Weibull’s and Gaussian distributions), extremal type limit theorems for eigenvalues are proved, and the strong influence of parameters of the model on a specification of normalizing constants is described. In the proof we use the finite-rank perturbation arguments based on the cluster expansion for resolvents. We consider the non-parametric estimation of a function that is observed in white noise after convolution with a boxcar, the indicator of an interval ( a; a). In a recent paper Johnstone, Kerkyacharian, Picard and Raimondo (2004) have developed a wavelet deconvolution method (called WaveD) that can be used for " boxcar kernels. For example, WaveD can be tuned to achieve near optimal rates over Besov spaces when a is a Badly Approximable (BA) irrational number. While the set of all BA's contains quadratic irrationals, e.g., a = p 5, it has Lebesgue measure zero. In this paper we derive two tuning scenarios of WaveD that are valid for all" boxcar convolutions (i.e., when a 2 A where A is a full Lebesgue measure set). We propose (i) a tuning inspired from Minimax theory over Besov spaces; (ii) a tuning derived from Maxiset theory providing similar rates as for WaveD in the BA widths setting. Asymptotic theory nds that (i) in the worst case scenario, departures from the BA assumption aect WaveD convergence rates, at most, by log factors; (ii) the Maxiset tuning, which yields smaller thresholds, is superior to the Minimax tuning over a whole range of Besov sub-scales. Our asymptotic results are illustrated in an extensive simulation of boxcar convolution observed in white noise. We consider the problem of improving the efficiency of randomized Fourier feature maps to accelerate training and testing speed of kernel methods on large datasets. These approximate feature maps arise as Monte Carlo approximations to integral representations of shift-invariant kernel functions (e.g., Gaussian kernel). In this paper, we propose to use Quasi-Monte Carlo (QMC) approximations instead, where the relevant integrands are evaluated on a low-discrepancy sequence of points as opposed to random point sets as in the Monte Carlo approach. We derive a new discrepancy measure called box discrepancy based on theoretical characterizations of the integration error with respect to a given sequence. We then propose to learn QMC sequences adapted to our setting based on explicit box discrepancy minimization. Our theoretical analyses are complemented with empirical results that demonstrate the effectiveness of classical and adaptive QMC techniques for this problem. We investigate the training and performance of generative adversarial networks using the Maximum Mean Discrepancy (MMD) as critic, termed MMD GANs. As our main theoretical contribution, we clarify the situation with bias in GAN loss functions raised by recent work: we show that gradient estimators used in the optimization process for both MMD GANs and Wasserstein GANs are unbiased, but learning a discriminator based on samples leads to biased gradients for the generator parameters. We also discuss the issue of kernel choice for the MMD critic, and characterize the kernel corresponding to the energy distance used for the Cramer GAN critic. Being an integral probability metric, the MMD benefits from training strategies recently developed for Wasserstein GANs. In experiments, the MMD GAN is able to employ a smaller critic network than the Wasserstein GAN, resulting in a simpler and faster-training algorithm with matching performance. We also propose an improved measure of GAN convergence, the Kernel Inception Distance, and show how to use it to dynamically adapt learning rates during GAN training. Received 28 May 2002; revised 18 September 2002; accepted 24 September 2002; published 14 February 2003. [1] When an inverse problem is solved to estimate an unknown function such as the hydraulic conductivity in an aquifer or the contamination history at a site, one constraint is that the unknown function is known to be everywhere nonnegative. In this work, we develop a statistically rigorous method for enforcing function nonnegativity in Bayesian inverse problems. The proposed method behaves similarly to a Gaussian process with a linear variogram (i.e., unrestricted Brownian motion) for parameter values significantly greater than zero. The method uses the method of images to define a prior probability density function based on reflected Brownian motion that implicitly enforces nonnegativity. This work focuses on problems where the unknown is a function of a single variable (e.g., time). A Markov chain Monte Carlo (MCMC) method, specifically, a highly efficient Gibbs sampler, is implemented to generate conditional realizations of the unknown function. The new method is applied to the estimation of the trichloroethylene (TCE) and perchloroethylene (PCE) contamination history in an aquifer at Dover Air Force Base, Delaware, based on concentration profiles obtained from an underlying aquitard. INDEX TERMS: 1831 Hydrology: Groundwater quality; 1869 Hydrology: Stochastic processes; 3260 Mathematical Geophysics: Inverse theory; KEYWORDS: stochastic inverse modeling, contaminant source identification, inference under constraints, Markov chain Monte Carlo (MCMC), Gibbs sampling, Bayesian inference A discrete uncoupling process for finite spaces is introduced, called the Markov Cluster Process or the MCL process. The process is the engine for the graph clustering algorithm called the MCL algorithm. The MCL process takes a stochastic matrix as input, and then alternates expansion and inflation, each step defining a stochastic matrix in terms of the previous one. Expansion corresponds with taking the @math th power of a stochastic matrix, where @math . Inflation corresponds with a parametrized operator @math , @math , that maps the set of (column) stochastic matrices onto itself. The image @math is obtained by raising each entry in @math to the @math th power and rescaling each column to have sum 1 again. In practice the process converges very fast towards a limit that is invariant under both matrix multiplication and inflation, with quadratic convergence around the limit points. The heuristic behind the process is its expected behavior for (Markov) graphs possessing cluster structure. The process is typically applied to the matrix of random walks on a given graph @math , and the connected components of (the graph associated with) the process limit generically allow a clustering interpretation of @math . The limit is in general extremely sparse and iterands are sparse in a weighted sense, implying that the MCL algorithm is very fast and highly scalable. Several mathematical properties of the MCL process are established. Most notably, the process (and algorithm) iterands posses structural properties generalizing the mapping from process limits onto clusterings. The inflation operator @math maps the class of matrices that are diagonally similar to a symmetric matrix onto itself. The phrase diagonally positive semi-definite (dpsd) is used for matrices that are diagonally similar to a positive semi-definite matrix. For @math and for @math a stochastic dpsd matrix, the image @math is again dpsd. Determinantal inequalities satisfied by a dpsd matrix @math imply a natural ordering among the diagonal elements of @math , generalizing the mapping of process limits onto clusterings. The spectrum of @math is of the form @math , where @math is the number of endclasses of the ordering associated with @math , and @math is the dimension of @math . This attests to the uncoupling effect of the inflation operator.