We propose cube thinning, a novel method for compressing the output of a MCMC (Markov chain Monte Carlo) algorithm when control variates are available. It amounts to resampling the initial MCMC sample (according to weights derived from control variates), while imposing equality constraints on averages of these control variates, using the cube method of \cite{Deville2004}. Its main advantage is that its CPU cost is linear in $N$, the original sample size, and is constant in $M$, the required size for the compressed sample. This compares favourably to Stein thinning \citep{Riabiz2020}, which has complexity $\mathcal{O}(NM^2)$, and which requires the availability of the gradient of the target log-density (which automatically implies the availability of control variates). Our numerical experiments suggest that cube thinning is also competitive in terms of statistical error.
I introduce a Markov chain Monte Carlo (MCMC) scheme in which sampling from a distribution with density pi(x) is done using updates operating on an "ensemble" of states. The current state x is first stochastically mapped to an ensemble, x^{(1)},...,x^{(K)}. This ensemble is then updated using MCMC updates that leave invariant a suitable ensemble density, rho(x^{(1)},...,x^{(K)}), defined in terms of pi(x^{(i)}) for i=1,...,K. Finally a single state is stochastically selected from the ensemble after these updates. Such ensemble MCMC updates can be useful when characteristics of pi and the ensem…
The use of heuristics to assess the convergence and compress the output of Markov chain Monte Carlo can be sub-optimal in terms of the empirical approximations that are produced. Typically a number of the initial states are attributed to "burn in" and removed, whilst the remainder of the chain is "thinned" if compression is also required. In this paper we consider the problem of retrospectively selecting a subset of states, of fixed cardinality, from the sample path such that the approximation provided by their empirical distribution is close to optimal. A novel method is proposed, based on gr…
Bayesian analysis for Markov jump processes is a non-trivial and challenging problem. Although exact inference is theoretically possible, it is computationally demanding thus its applicability is limited to a small class of problems. In this paper we describe the application of Riemann manifold MCMC methods using an approximation to the likelihood of the Markov jump process which is valid when the system modelled is near its thermodynamic limit. The proposed approach is both statistically and computationally efficient while the convergence rate and mixing of the chains allows for fast MCMC inf…
Many problems arising in applications result in the need to probe a probability distribution for functions. Examples include Bayesian nonparametric statistics and conditioned diffusion processes. Standard MCMC algorithms typically become arbitrarily slow under the mesh refinement dictated by nonparametric description of the unknown function. We describe an approach to modifying a whole range of MCMC methods, applicable whenever the target measure has density with respect to a Gaussian process or Gaussian random field reference measure, which ensures that their speed of convergence is robust un…
Latent position network models are a versatile tool in network science; applications include clustering entities, controlling for causal confounders, and defining priors over unobserved graphs. Estimating each node's latent position is typically framed as a Bayesian inference problem, with Metropolis within Gibbs being the most popular tool for approximating the posterior distribution. However, it is well-known that Metropolis within Gibbs is inefficient for large networks; the acceptance ratios are expensive to compute, and the resultant posterior draws are highly correlated. In this article,…
Markov jump processes (or continuous-time Markov chains) are a simple and important class of continuous-time dynamical systems. In this paper, we tackle the problem of simulating from the posterior distribution over paths in these models, given partial and noisy observations. Our approach is an auxiliary variable Gibbs sampler, and is based on the idea of uniformization. This sets up a Markov chain over paths by alternately sampling a finite set of virtual jump times given the current path and then sampling a new path given the set of extant and virtual jump times using a standard hidden Marko…
Spectral subsampling MCMC was recently proposed to speed up Markov chain Monte Carlo (MCMC) for long stationary univariate time series by subsampling periodogram observations in the frequency domain. This article extends the approach to multivariate time series using a multivariate generalisation of the Whittle likelihood. To assess the computational gains from spectral subsampling in challenging problems, a multivariate generalisation of the autoregressive tempered fractionally integrated moving average model (ARTFIMA) is introduced and some of its properties derived. Bayesian inference based…
In this article, we derive a novel non-reversible, continuous-time Markov chain Monte Carlo (MCMC) sampler, called Coordinate Sampler, based on a piecewise deterministic Markov process (PDMP), which can be seen as a variant of the Zigzag sampler. In addition to proving a theoretical validation for this new sampling algorithm, we show that the Markov chain it induces exhibits geometrical ergodicity convergence, for distributions whose tails decay at least as fast as an exponential distribution and at most as fast as a Gaussian distribution. Several numerical examples highlight that our coordina…
Over the last decades, various "non-linear" MCMC methods have arisen. While appealing for their convergence speed and efficiency, their practical implementation and theoretical study remain challenging. In this paper, we introduce a non-linear generalization of the Metropolis-Hastings algorithm to a proposal that depends not only on the current state, but also on its law. We propose to simulate this dynamics as the mean field limit of a system of interacting particles, that can in turn itself be understood as a generalisation of the Metropolis-Hastings algorithm to a population of particles. U…
Uniform sampling of binary matrix with fixed margins is an important and difficult problem in statistics, computer science, ecology and so on. The well-known swap algorithm would be inefficient when the size of the matrix becomes large or when the matrix is too sparse/dense. Here we propose the Rectangle Loop algorithm, a Markov chain Monte Carlo algorithm to sample binary matrices with fixed margins uniformly. Theoretically the Rectangle Loop algorithm is better than the swap algorithm in Peskun's order. Empirically studies also demonstrates the Rectangle Loop algorithm is remarkablely more e…
ParaMonte::Python (standing for Parallel Monte Carlo in Python) is a serial and MPI-parallelized library of (Markov Chain) Monte Carlo (MCMC) routines for sampling mathematical objective functions, in particular, the posterior distributions of parameters in Bayesian modeling and analysis in data science, Machine Learning, and scientific inference in general. In addition to providing access to fast high-performance serial/parallel Monte Carlo and MCMC sampling routines, the ParaMonte::Python library provides extensive post-processing and visualization tools that aim to automate and streamline t…
We propose a very fast approximate Markov Chain Monte Carlo (MCMC) sampling framework that is applicable to a large class of sparse Bayesian inference problems, where the computational cost per iteration in several models is of order $O(ns)$, where $n$ is the sample size, and $s$ the underlying sparsity of the model. This cost can be further reduced by data sub-sampling when stochastic gradient Langevin dynamics are employed. The algorithm is an extension of the asynchronous Gibbs sampler of Johnson et al. (2013), but can be viewed from a statistical perspective as a form of Bayesian iterated …
Stochastic gradient Markov Chain Monte Carlo (SG-MCMC) has been developed as a flexible family of scalable Bayesian sampling algorithms. However, there has been little theoretical analysis of the impact of minibatch size to the algorithm's convergence rate. In this paper, we prove that under a limited computational budget/time, a larger minibatch size leads to a faster decrease of the mean squared error bound (thus the fastest one corresponds to using full gradients), which motivates the necessity of variance reduction in SG-MCMC. Consequently, by borrowing ideas from stochastic optimization, …
University of California, Irvine（加州大学尔湾分校）；Google（谷歌）；Yahoo Labs（雅虎实验室）；University of Amsterdam（阿姆斯特丹大学）
Despite having various attractive qualities such as high prediction accuracy and the ability to quantify uncertainty and avoid over-fitting, Bayesian Matrix Factorization has not been widely adopted because of the prohibitive cost of inference. In this paper, we propose a scalable distributed Bayesian matrix factorization algorithm using stochastic gradient MCMC. Our algorithm, based on Distributed Stochastic Gradient Langevin Dynamics, can not only match the prediction accuracy of standard MCMC methods like Gibbs sampling, but at the same time is as fast and simple as stochastic gradient desc…
Cornell University（康奈尔大学）；UNSW Australia（澳大利亚新南威尔士大学）；Ecole Polytechnique Fédérale de Lausanne（洛桑联邦理工学院）
Variational Bayes (VB) methods have emerged as a fast and computationally-efficient alternative to Markov chain Monte Carlo (MCMC) methods for scalable Bayesian estimation of mixed multinomial logit (MMNL) models. It has been established that VB is substantially faster than MCMC at practically no compromises in predictive accuracy. In this paper, we address two critical gaps concerning the usage and understanding of VB for MMNL. First, extant VB methods are limited to utility specifications involving only individual-specific taste parameters. Second, the finite-sample properties of VB estimato…
Markov chain Monte Carlo (MCMC) methods are often used in clustering since they guarantee asymptotically exact expectations in the infinite-time limit. In finite time, though, slow mixing often leads to poor performance. Modern computing environments offer massive parallelism, but naive implementations of parallel MCMC can exhibit substantial bias. In MCMC samplers of continuous random variables, Markov chain couplings can overcome bias. But these approaches depend crucially on paired chains meetings after a small number of transitions. We show that straightforward applications of existing cou…
Markov chain Monte Carlo (MCMC) is a popular and successful general-purpose tool for Bayesian inference. However, MCMC cannot be practically applied to large data sets because of the prohibitive cost of evaluating every likelihood term at every iteration. Here we present Firefly Monte Carlo (FlyMC) an auxiliary variable MCMC algorithm that only queries the likelihoods of a potentially small subset of the data at each iteration yet simulates from the exact posterior distribution, in contrast to recent proposals that are approximate even in the asymptotic limit. FlyMC is compatible with a wide v…
Component-wise MCMC algorithms, including Gibbs and conditional Metropolis-Hastings samplers, are commonly used for sampling from multivariate probability distributions. A long-standing question regarding Gibbs algorithms is whether a deterministic-scan (systematic-scan) sampler converges faster than its random-scan counterpart. We answer this question when the samplers involve two components by establishing an exact quantitative relationship between the $L^2$ convergence rates of the two samplers. The relationship shows that the deterministic-scan sampler converges faster. We also establish q…
From basic considerations of the Lie group that preserves a target probability measure, we derive the Barker, Metropolis, and ensemble Markov chain Monte Carlo (MCMC) algorithms, as well as variants of waste-recycling Metropolis-Hastings and an altogether new MCMC algorithm. We illustrate these constructions with explicit numerical computations, and we empirically demonstrate on a spin glass that the new algorithm converges more quickly than its siblings.
We present a general framework for accelerating a large class of widely used Markov chain Monte Carlo (MCMC) algorithms. Our approach exploits fast, iterative approximations to the target density to speculatively evaluate many potential future steps of the chain in parallel. The approach can accelerate computation of the target distribution of a Bayesian inference problem, without compromising exactness, by exploiting subsets of data. It takes advantage of whatever parallel resources are available, but produces results exactly equivalent to standard serial execution. In the initial burn-in pha…
We introduce deep involutive generative models, a new architecture for deep generative modeling, and use them to define Involutive Neural MCMC, a new approach to fast neural MCMC. An involutive generative model represents a probability kernel $G(ϕ\mapsto ϕ')$ as an involutive (i.e., self-inverting) deterministic function $f(ϕ, π)$ on an enlarged state space containing auxiliary variables $π$. We show how to make these models volume preserving, and how to use deep volume-preserving involutive generative models to make valid Metropolis-Hastings updates based on an auxiliary variable scheme with …
We present a novel method for reducing the computational complexity of rigorously estimating the partition functions (normalizing constants) of Gibbs (Boltzmann) distributions, which arise ubiquitously in probabilistic graphical models. A major obstacle to practical applications of Gibbs distributions is the need to estimate their partition functions. The state of the art in addressing this problem is multi-stage algorithms, which consist of a cooling schedule, and a mean estimator in each step of the schedule. While the cooling schedule in these algorithms is adaptive, the mean estimation com…
We introduce the idea that resampling from past observations in a Markov Chain Monte Carlo sampler can fasten convergence. We prove that proper resampling from the past does not disturb the limit distribution of the algorithm. We illustrate the method with two examples. The first on a Bayesian analysis of stochastic volatility models and the other on Bayesian phylogeny reconstruction.
We study probability measures induced by set functions with constraints. Such measures arise in a variety of real-world settings, where prior knowledge, resource limitations, or other pragmatic considerations impose constraints. We consider the task of rapidly sampling from such constrained measures, and develop fast Markov chain samplers for them. Our first main result is for MCMC sampling from Strongly Rayleigh (SR) measures, for which we present sharp polynomial bounds on the mixing time. As a corollary, this result yields a fast mixing sampler for Determinantal Point Processes (DPPs), yiel…
Markov Chain Monte Carlo (MCMC) and Belief Propagation (BP) are the most popular algorithms for computational inference in Graphical Models (GM). In principle, MCMC is an exact probabilistic method which, however, often suffers from exponentially slow mixing. In contrast, BP is a deterministic method, which is typically fast, empirically very successful, however in general lacking control of accuracy over loopy graphs. In this paper, we introduce MCMC algorithms correcting the approximation error of BP, i.e., we provide a way to compensate for BP errors via a consecutive BP-aware MCMC. Our fra…
Markov chain Monte Carlo (MCMC) algorithms provide a very general recipe for estimating properties of complicated distributions. While their use has become commonplace and there is a large literature on MCMC theory and practice, MCMC users still have to contend with several challenges with each implementation of the algorithm. These challenges include determining how to construct an efficient algorithm, finding reasonable starting values, deciding whether the sample-based estimates are accurate, and determining an appropriate length (stopping rule) for the Markov chain. We describe an approach…
A novel adaptive Markov chain Monte Carlo algorithm is presented. The algorithm utilizes sparsity in the partial correlation structure of a density to efficiently estimate the covariance matrix through the Cholesky factor of the precision matrix. The algorithm also utilizes the sparsity to sample efficiently from both MALA and Metropolis Hasting random walk proposals. Further, an algorithm that estimates the partial correlation structure of a density is proposed. Combining this with the Cholesky factor estimation algorithm results in an efficient black-box AMCMC method that can be used for gen…
Markov Chain Monte Carlo (MCMC) is a well-established family of algorithms which are primarily used in Bayesian statistics to sample from a target distribution when direct sampling is challenging. Single instances of MCMC methods are widely considered hard to parallelise in a problem-agnostic fashion and hence, unsuitable to meet both constraints of high accuracy and high throughput. Sequential Monte Carlo (SMC) Samplers can address the same problem, but are parallelisable: they share with Particle Filters the same key tasks and bottleneck. Although a rich literature already exists on MCMC met…
University of Southern California（南加州大学）；University of Montreal（蒙特利尔大学）；University of Amsterdam（阿姆斯特丹大学）
We propose a stochastic gradient Markov chain Monte Carlo (SG-MCMC) algorithm for scalable inference in mixed-membership stochastic blockmodels (MMSB). Our algorithm is based on the stochastic gradient Riemannian Langevin sampler and achieves both faster speed and higher accuracy at every iteration than the current state-of-the-art algorithm based on stochastic variational inference. In addition we develop an approximation that can handle models that entertain a very large number of communities. The experimental results show that SG-MCMC strictly dominates competing algorithms in all cases.
Motivated by the physics of strings and branes, we introduce a general suite of Markov chain Monte Carlo (MCMC) "suburban samplers" (i.e., spread out Metropolis). The suburban algorithm involves an ensemble of statistical agents connected together by a random network. Performance of the collective in reaching a fast and accurate inference depends primarily on the average number of nearest neighbor connections. Increasing the average number of neighbors above zero initially leads to an increase in performance, though there is a critical connectivity with effective dimension d_eff ~ 1, above whi…
Stochastic gradient Markov chain Monte Carlo (SG-MCMC) has become increasingly popular for simulating posterior samples in large-scale Bayesian modeling. However, existing SG-MCMC schemes are not tailored to any specific probabilistic model, even a simple modification of the underlying dynamical system requires significant physical intuition. This paper presents the first meta-learning algorithm that allows automated design for the underlying continuous dynamics of an SG-MCMC sampler. The learned sampler generalizes Hamiltonian dynamics with state-dependent drift and diffusion, enabling fast t…
Traditionally, the field of computational Bayesian statistics has been divided into two main subfields: variational methods and Markov chain Monte Carlo (MCMC). In recent years, however, several methods have been proposed based on combining variational Bayesian inference and MCMC simulation in order to improve their overall accuracy and computational efficiency. This marriage of fast evaluation and flexible approximation provides a promising means of designing scalable Bayesian inference methods. In this paper, we explore the possibility of incorporating variational approximation into a state-…
Delayed-acceptance Markov chain Monte Carlo (DA-MCMC) samples from a probability distribution via a two-stages version of the Metropolis-Hastings algorithm, by combining the target distribution with a "surrogate" (i.e. an approximate and computationally cheaper version) of said distribution. DA-MCMC accelerates MCMC sampling in complex applications, while still targeting the exact distribution. We design a computationally faster, albeit approximate, DA-MCMC algorithm. We consider parameter inference in a Bayesian setting where a surrogate likelihood function is introduced in the delayed-accept…
Markov Chain Monte Carlo (MCMC) sampling methods are widely used but often encounter either slow convergence or biased sampling when applied to multimodal high dimensional distributions. In this paper, we present a general framework of improving classical MCMC samplers by employing a global optimization method. The global optimization method first reduces a high dimensional search to an one dimensional geodesic to find a starting point close to a local mode. The search is accelerated and completed by using a local search method such as BFGS. We modify the target distribution by extracting a lo…
It is well-known that irreversible MCMC algorithms converge faster to their stationary distributions than reversible ones. Using the special geometric structure of Lie groups $\mathcal G$ and dissipation fields compatible with the symplectic structure, we construct an irreversible HMC-like MCMC algorithm on $\mathcal G$, where we first update the momentum by solving an OU process on the corresponding Lie algebra $\mathfrak g$, and then approximate the Hamiltonian system on $\mathcal G \times \mathfrak g$ with a reversible symplectic integrator followed by a Metropolis-Hastings correction step.…
We propose and analyze two new MCMC sampling algorithms, the Vaidya walk and the John walk, for generating samples from the uniform distribution over a polytope. Both random walks are sampling algorithms derived from interior point methods. The former is based on volumetric-logarithmic barrier introduced by Vaidya whereas the latter uses John's ellipsoids. We show that the Vaidya walk mixes in significantly fewer steps than the logarithmic-barrier based Dikin walk studied in past work. For a polytope in $\mathbb{R}^d$ defined by $n >d$ linear constraints, we show that the mixing time from a wa…
We investigate two options for performing Bayesian inference on spatial log-Gaussian Cox processes assuming a spatially continuous latent field: Markov chain Monte Carlo (MCMC) and the integrated nested Laplace approximation (INLA). We first describe the device of approximating a spatially continuous Gaussian field by a Gaussian Markov random field on a discrete lattice, and present a simulation study showing that, with careful choice of parameter values, small neighbourhood sizes can give excellent approximations. We then introduce the spatial log-Gaussian Cox process and describe MCMC and IN…
Topic models, and more specifically the class of Latent Dirichlet Allocation (LDA), are widely used for probabilistic modeling of text. MCMC sampling from the posterior distribution is typically performed using a collapsed Gibbs sampler. We propose a parallel sparse partially collapsed Gibbs sampler and compare its speed and efficiency to state-of-the-art samplers for topic models on five well-known text corpora of differing sizes and properties. In particular, we propose and compare two different strategies for sampling the parameter block with latent topic indicators. The experiments show th…
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…
Split-Merge MCMC (Monte Carlo Markov Chain) is one of the essential and popular variants of MCMC for problems when an MCMC state consists of an unknown number of components. It is well known that state-of-the-art methods for split-merge MCMC do not scale well. Strategies for rapid mixing requires smart and informative proposals to reduce the rejection rate. However, all known smart proposals involve expensive operations to suggest informative transitions. As a result, the cost of each iteration is prohibitive for massive scale datasets. It is further known that uninformative but computationall…
We show how the massive data compression algorithm MOPED can be used to reduce, by orders of magnitude, the number of simulated datasets that are required to estimate the covariance matrix required for the analysis of gaussian-distributed data. This is relevant when the covariance matrix cannot be calculated directly. The compression is especially valuable when the covariance matrix varies with the model parameters. In this case, it may be prohibitively expensive to run enough simulations to estimate the full covariance matrix throughout the parameter space. This compression may be particularl…
