In Bayesian inference, predictive distributions are typically in the form of samples generated via Markov chain Monte Carlo (MCMC) or related algorithms. In this paper, we conduct a systematic analysis of how to make and evaluate probabilistic forecasts from such simulation output. Based on proper scoring rules, we develop a notion of consistency that allows to assess the adequacy of methods for estimating the stationary distribution underlying the simulation output. We then provide asymptotic results that account for the salient features of Bayesian posterior simulators, and derive conditions under which choices from the literature satisfy our notion of consistency. Importantly, these conditions depend on the scoring rule being used, such that the choices of approximation method and scoring rule are intertwined. While the logarithmic rule requires fairly stringent conditions, the continuous ranked probability score (CRPS) yields consistent approximations under minimal assumptions. These results are illustrated in a simulation study and an economic data example. Overall, mixture-of-parameters approximations which exploit the parametric structure of Bayesian models perform particularly well. Under the CRPS, the empirical distribution function is a simple and appealing alternative option.
Markov chain Monte Carlo (MCMC) is a simulation method commonly used for estimating expectations with respect to a given distribution. We consider estimating the covariance matrix of the asymptotic multivariate normal distribution of a vector of sample means. Geyer (1992) developed a Monte Carlo error estimation method for estimating a univariate mean. We propose a novel multivariate version of Geyer's method that provides an asymptotically valid estimator for the covariance matrix and results in stable Monte Carlo estimates. The finite sample properties of the proposed method are investigated…
This is a contribution for the discussion on "Unbiased Markov chain Monte Carlo with couplings" by Pierre E. Jacob, John O'Leary and Yves F. Atchadé to appear in the Journal of the Royal Statistical Society Series B.
Recently Dutta and Bhattacharya (2013) introduced a novel Markov Chain Monte Carlo methodology that can simultaneously update all the components of high dimensional parameters using simple deterministic transformations of a one-dimensional random variable drawn from any arbitrary distribution defined on a relevant support. The methodology, which the authors refer to as Transformation-based Markov Chain Monte Carlo (TMCMC), greatly enhances computational speed and acceptance rate in high-dimensional problems. Two significant transformations associated with TMCMC are additive and multiplicative …
Markov chain Monte Carlo samplers produce dependent streams of variates drawn from the limiting distribution of the Markov chain. With this as motivation, we introduce novel univariate kernel density estimators which are appropriate for the stationary sequences of dependent variates. We modify the asymptotic mean integrated squared error criterion to account for dependence and find that the modified criterion suggests data-driven adjustments to standard bandwidth selection methods. Simulation studies show that our proposed methods find bandwidths close to the optimal value while standard metho…
In this paper we address the problem of Monte Carlo approximation of posterior probability distributions in stochastic kinetic models (SKMs). SKMs are multivariate Markov jump processes that model the interactions among species in biochemical systems according to a set of uncertain parameters. Markov chain Monte Carlo (MCMC) methods have been typically preferred for this Bayesian inference problem. Specifically, the particle MCMC (pMCMC) method has been recently shown to be an effective, while computationally demanding, method applicable to this problem. Within the pMCMC framework, importance …
We present a new way of converting a reversible finite Markov chain into a non-reversible one, with a theoretical guarantee that the asymptotic variance of the MCMC estimator based on the non-reversible chain is reduced. The method is applicable to any reversible chain whose states are not connected through a tree, and can be interpreted graphically as inserting vortices into the state transition graph. Our result confirms that non-reversible chains are fundamentally better than reversible ones in terms of asymptotic performance, and suggests interesting directions for further improving MCMC.
We develop exact Markov chain Monte Carlo methods for discretely-sampled, directly and indirectly observed diffusions. The qualification "exact" refers to the fact that the invariant and limiting distribution of the Markov chains is the posterior distribution of the parameters free of any discretisation error. The class of processes to which our methods directly apply are those which can be simulated using the most general to date exact simulation algorithm. The article introduces various methods to boost the performance of the basic scheme, including reparametrisations and auxiliary Poisson s…
From its inception in the 1950s to the modern frontiers of applied statistics, Markov chain Monte Carlo has been one of the most ubiquitous and successful methods in statistical computing. In that time its development has been fueled by increasingly difficult problems and novel techniques from physics. In this article I will review the history of Markov chain Monte Carlo from its inception with the Metropolis method to today's state-of-the-art in Hamiltonian Monte Carlo. Along the way I will focus on the evolving interplay between the statistical and physical perspectives of the method.
Recent work incorporating geometric ideas in Markov chain Monte Carlo is reviewed in order to highlight these advances and their possible application in a range of domains beyond Statistics. A full exposition of Markov chains and their use in Monte Carlo simulation for Statistical inference and molecular dynamics is provided, with particular emphasis on methods based on Langevin diffusions. After this geometric concepts in Markov chain Monte Carlo are introduced. A full derivation of the Langevin diffusion on a Riemannian manifold is given, together with a discussion of appropriate Riemannian …
This is the compilation of our comments submitted to the Journal of the Royal Statistical Society, Series B, to be published within the discussion of the Read Paper of Andrieu, Doucet and Hollenstein.
Phylogenetic inference is an intractable statistical problem on a complex space. Markov chain Monte Carlo methods are the primary tool for Bayesian phylogenetic inference but it is challenging to construct efficient schemes to explore the associated posterior distribution or assess their performance. Existing approaches are unable to diagnose mixing or convergence of Markov schemes jointly across all components of a phylogenetic model. Lagged couplings of Markov chain Monte Carlo algorithms have recently been developed on simpler spaces to diagnose convergence and construct unbiased estimators…
Piecewise Deterministic Monte Carlo algorithms enable simulation from a posterior distribution, whilst only needing to access a sub-sample of data at each iteration. We show how they can be implemented in settings where the parameters live on a restricted domain.
We propose sequential Monte Carlo based algorithms for maximum likelihood estimation of the static parameters in hidden Markov models with an intractable likelihood using ideas from approximate Bayesian computation. The static parameter estimation algorithms are gradient based and cover both offline and online estimation. We demonstrate their performance by estimating the parameters of three intractable models, namely the alpha-stable distribution, g-and-k distribution, and the stochastic volatility model with alpha-stable returns, using both real and synthetic data.
In the thesis we take the split chain approach to analyzing Markov chains and use it to establish fixed-width results for estimators obtained via Markov chain Monte Carlo procedures (MCMC). Theoretical results include necessary and sufficient conditions in terms of regeneration for central limit theorems for ergodic Markov chains and a regenerative proof of a CLT version for uniformly ergodic Markov chains with $E_πf^2< \infty.$ To obtain asymptotic confidence intervals for MCMC estimators, strongly consistent estimators of the asymptotic variance are essential. We relax assumptions required t…
We attempt to trace the history and development of Markov chain Monte Carlo (MCMC) from its early inception in the late 1940s through its use today. We see how the earlier stages of Monte Carlo (MC, not MCMC) research have led to the algorithms currently in use. More importantly, we see how the development of this methodology has not only changed our solutions to problems, but has changed the way we think about problems.
Markov chain Monte Calro methods (MCMC) are commonly used in Bayesian statistics. In the last twenty years, many results have been established for the calculation of the exact convergence rate of MCMC methods. We introduce another rate of convergence for MCMC methods by approximation techniques. This rate can be obtained by the convergence of the Markov chain to a diffusion process. We apply it to a simple mixture model and obtain its convergence rate. Numerical simulations are performed to illustrate the effect of the rate.
We introduce a class of Adapted Increasingly Rarely Markov Chain Monte Carlo (AirMCMC) algorithms where the underlying Markov kernel is allowed to be changed based on the whole available chain output but only at specific time points separated by an increasing number of iterations. The main motivation is the ease of analysis of such algorithms. Under the assumption of either simultaneous or (weaker) local simultaneous geometric drift condition, or simultaneous polynomial drift we prove the $L_2-$convergence, Weak and Strong Laws of Large Numbers (WLLN, SLLN), Central Limit Theorem (CLT), and di…
Bayesian analysis often concerns an evaluation of models with different dimensionality as is necessary in, for example, model selection or mixture models. To facilitate this evaluation, transdimensional Markov chain Monte Carlo (MCMC) relies on sampling a discrete indexing variable to estimate the posterior model probabilities. However, little attention has been paid to the precision of these estimates. If only few switches occur between the models in the transdimensional MCMC output, precision may be low and assessment based on the assumption of independent samples misleading. Here, we propos…
We merge in this note our two discussions about the Read Paper "Particle Markov chain Monte Carlo" (Andrieu, Doucet, and Holenstein, 2010) presented on October 16th 2009 at the Royal Statistical Society, appearing in the Journal of the Royal Statistical Society Series B. We also present a more detailed version of the ABC extension.
In this paper, we study the asymptotic variance of sample path averages for inhomogeneous Markov chains that evolve alternatingly according to two different $π$-reversible Markov transition kernels $P$ and $Q$. More specifically, our main result allows us to compare directly the asymptotic variances of two inhomogeneous Markov chains associated with different kernels $P_i$ and $Q_i$, $i\in\{0,1\}$, as soon as the kernels of each pair $(P_0,P_1)$ and $(Q_0,Q_1)$ can be ordered in the sense of lag-one autocovariance. As an important application, we use this result for comparing different data-au…
Markov chain Monte Carlo algorithms are invaluable tools for exploring stationary properties of physical systems, especially in situations where direct sampling is unfeasible. Common implementations of Monte Carlo algorithms employ reversible Markov chains. Reversible chains obey detailed balance and thus ensure that the system will eventually relax to equilibrium. Detailed balance is not necessary for convergence to equilibrium. We review nonreversible Markov chains, which violate detailed balance, and yet still relax to a given target stationary distribution. In particular cases, nonreversib…
This file is the Sweave documentation for the examples provided in Flegal, J. M. and Jones, G. L. (2010), "Implementing Markov chain Monte Carlo: Estimating with confidence", in Handbook of Markov Chain Monte Carlo, edited by Brooks, S., Gelman, A., Jones, G., and Meng, X. published by Chapman & Hall/CRC Press.
We describe ergodic properties of some Metropolis-Hastings (MH) algorithms for heavy-tailed target distributions. The analysis usually falls into sub-geometric ergodicity framework but we prove that the mixed preconditioned Crank-Nicolson (MpCN) algorithm has geometric ergodicity even for heavy-tailed target distributions. This useful property comes from the fact that the MpCN algorithm becomes a random-walk Metropolis algorithm under suitable transformation.
We present a multivariate central limit theorem for a general class of interacting Markov chain Monte Carlo algorithms used to solve nonlinear measure-valued equations. These algorithms generate stochastic processes which belong to the class of nonlinear Markov chains interacting with their empirical occupation measures. We develop an original theoretical analysis based on resolvent operators and semigroup techniques to analyze the fluctuations of their occupation measures around their limiting values.
We present a highly efficient proximal Markov chain Monte Carlo methodology to perform Bayesian computation in imaging problems. Similarly to previous proximal Monte Carlo approaches, the proposed method is derived from an approximation of the Langevin diffusion. However, instead of the conventional Euler-Maruyama approximation that underpins existing proximal Monte Carlo methods, here we use a state-of-the-art orthogonal Runge-Kutta-Chebyshev stochastic approximation that combines several gradient evaluations to significantly accelerate its convergence speed, similarly to accelerated gradient…
We elaborate the idea behind Markov chain Monte Carlo (MCMC) methods in a mathematically coherent, yet simple and understandable way. To this end, we proof a pivotal convergence theorem for finite Markov chains and a minimal version of the Perron-Frobenius theorem. Subsequently, we briefly discuss two fundamental MCMC methods, the Gibbs and Metropolis-Hastings sampler. Only very basic knowledge about matrices, convergence of real sequences and probability theory is required.
Along with the recent advances in scalable Markov Chain Monte Carlo methods, sampling techniques that are based on Langevin diffusions have started receiving increasing attention. These so called Langevin Monte Carlo (LMC) methods are based on diffusions driven by a Brownian motion, which gives rise to Gaussian proposal distributions in the resulting algorithms. Even though these approaches have proven successful in many applications, their performance can be limited by the light-tailed nature of the Gaussian proposals. In this study, we extend classical LMC and develop a novel Fractional LMC …
We show fundamental properties of the Markov semigroup of recently proposed MCMC algorithms based on Piecewise-deterministic Markov processes (PDMPs) such as the Bouncy Particle Sampler, the Zig-Zag process or the Randomized Hamiltonian Monte Carlo method. Under assumptions typically satisfied in MCMC settings, we prove that PDMPs are Feller and that their generator admits the space of infinitely differentiable functions with compact support as a core. As we illustrate via martingale problems and a simplified proof of the invariance of target distributions, these results provide a fundamental …
We introduce a novel time-homogeneous Markov embedding of a class of time inhomogeneous Markov chains widely used in the context of Monte Carlo sampling algorithms which allows us to answer one of the most basic, yet hard, question about the practical implementation of these techniques. We also show that this embedding sheds some light on the recent result of [#maire-douc-olsson2013]. We discuss further applications of the technique.
We consider quantile estimation using Markov chain Monte Carlo and establish conditions under which the sampling distribution of the Monte Carlo error is approximately Normal. Further, we investigate techniques to estimate the associated asymptotic variance, which enables construction of an asymptotically valid interval estimator. Finally, we explore the finite sample properties of these methods through examples and provide some recommendations to practitioners.
We introduce interacting particle Markov chain Monte Carlo (iPMCMC), a PMCMC method based on an interacting pool of standard and conditional sequential Monte Carlo samplers. Like related methods, iPMCMC is a Markov chain Monte Carlo sampler on an extended space. We present empirical results that show significant improvements in mixing rates relative to both non-interacting PMCMC samplers, and a single PMCMC sampler with an equivalent memory and computational budget. An additional advantage of the iPMCMC method is that it is suitable for distributed and multi-core architectures.
The University of Manchester（曼彻斯特大学）；Oak Ridge National Laboratory（橡树岭国家实验室）
Markov chain Monte Carlo (MCMC) methods have not been broadly adopted in Bayesian neural networks (BNNs). This paper initially reviews the main challenges in sampling from the parameter posterior of a neural network via MCMC. Such challenges culminate to lack of convergence to the parameter posterior. Nevertheless, this paper shows that a non-converged Markov chain, generated via MCMC sampling from the parameter space of a neural network, can yield via Bayesian marginalization a valuable posterior predictive distribution of the output of the neural network. Classification examples based on mul…
Recently there have been exciting developments in Monte Carlo methods, with the development of new MCMC and sequential Monte Carlo (SMC) algorithms which are based on continuous-time, rather than discrete-time, Markov processes. This has led to some fundamentally new Monte Carlo algorithms which can be used to sample from, say, a posterior distribution. Interestingly, continuous-time algorithms seem particularly well suited to Bayesian analysis in big-data settings as they need only access a small sub-set of data points at each iteration, and yet are still guaranteed to target the true posteri…
The aim of this work is to give an introduction to the theoretical background and computational complexity of Markov chain Monte Carlo methods. Most of the mathematical results related to the convergence are not found in most of the statistical references, and computational complexity is still an open question for most of the MCMC methods. In this work, we provide a general overview, references, and discussion about all these theoretical subjects.
In most sampling algorithms, including Hamiltonian Monte Carlo, transition rates between states correspond to the probability of making a transition in a single time step, and are constrained to be less than or equal to 1. We derive a Hamiltonian Monte Carlo algorithm using a continuous time Markov jump process, and are thus able to escape this constraint. Transition rates in a Markov jump process need only be non-negative. We demonstrate that the new algorithm leads to improved mixing for several example problems, both by evaluating the spectral gap of the Markov operator, and by computing au…
University of Halmstad（哈尔姆斯塔德大学）；Helsinki Institute for Information Technology HIIT（赫尔辛基信息技术研究所 HIIT）；University of Helsinki（赫尔辛基大学）；Aalto University（阿尔托大学）
Recent developments in differentially private (DP) machine learning and DP Bayesian learning have enabled learning under strong privacy guarantees for the training data subjects. In this paper, we further extend the applicability of DP Bayesian learning by presenting the first general DP Markov chain Monte Carlo (MCMC) algorithm whose privacy-guarantees are not subject to unrealistic assumptions on Markov chain convergence and that is applicable to posterior inference in arbitrary models. Our algorithm is based on a decomposition of the Barker acceptance test that allows evaluating the Rényi D…
This paper presents a novel theoretical Monte Carlo Markov chain procedure in the framework of graphs. It specifically deals with the construction of a Markov chain whose empirical distribution converges to a given reference one. The Markov chain is constrained over an underlying graph, so that states are viewed as vertices and the transition between two states can have positive probability only in presence of an edge connecting them. The analysis is carried out on the basis of the relationship between the support of the target distribution and the connectedness of the graph.
This paper proposes a family of weighted batch means variance estimators, which are computationally efficient and can be conveniently applied in practice. The focus is on Markov chain Monte Carlo simulations and estimation of the asymptotic covariance matrix in the Markov chain central limit theorem, where conditions ensuring strong consistency are provided. Finite sample performance is evaluated through auto-regressive, Bayesian spatial-temporal, and Bayesian logistic regression examples, where the new estimators show significant computational gains with a minor sacrifice in variance compared…
We propose a method to efficiently integrate truncated probability densities. The method uses Markov chain Monte Carlo method to sample from a probability density matching the function being integrated. The required normalisation or equivalently the result is obtained by constructing a function with known integral, through non-parametric kernel density estimation and variational procedure. The method is demonstrated with numerical case studies. Possible enhancements to the method and limitations are discussed.
Markov chain models are used in various fields, such behavioral sciences or econometrics. Although the goodness of fit of the model is usually assessed by large sample approximation, it is desirable to use conditional tests if the sample size is not large. We study Markov bases for performing conditional tests of the toric homogeneous Markov chain model, which is the envelope exponential family for the usual homogeneous Markov chain model. We give a complete description of a Markov basis for the following cases: i) two-state, arbitrary length, ii) arbitrary finite state space and length of thr…
Markov chain Monte Carlo is an inherently serial algorithm. Although likelihood calculations for individual steps can sometimes be parallelized, the serial evolution of the process is widely viewed as incompatible with parallelization, offering no speedup for samplers which require large numbers of iterations to converge to equilibrium. We provide a methodology for parallelizing Markov chain Monte Carlo across large numbers of independent, asynchronous processors. Our approach uses a partitioning and weight estimation scheme to combine independent simulations run on separate processors into ri…
We introduce an efficient nonreversible Markov chain Monte Carlo algorithm to generate self-avoiding walks with a variable endpoint. In two dimensions, the new algorithm slightly outperforms the two-move nonreversible Berretti-Sokal algorithm introduced by H.~Hu, X.~Chen, and Y.~Deng in \cite{old}, while for three-dimensional walks, it is 3--5 times faster. The new algorithm introduces nonreversible Markov chains that obey global balance and allows for three types of elementary moves on the existing self-avoiding walk: shorten, extend or alter conformation without changing the walk's length.
We propose a sequential Markov chain Monte Carlo (SMCMC) algorithm to sample from a sequence of probability distributions, corresponding to posterior distributions at different times in on-line applications. SMCMC proceeds as in usual MCMC but with the stationary distribution updated appropriately each time new data arrive. SMCMC has advantages over sequential Monte Carlo (SMC) in avoiding particle degeneracy issues. We provide theoretical guarantees for the marginal convergence of SMCMC under various settings, including parametric and nonparametric models. The proposed approach is compared to…
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.
Historically time-reversibility of the transitions or processes underpinning Markov chain Monte Carlo methods (MCMC) has played a key rôle in their development, while the self-adjointness of associated operators together with the use of classical functional analysis techniques on Hilbert spaces have led to powerful and practically successful tools to characterize and compare their performance. Similar results for algorithms relying on nonreversible Markov processes are scarce. We show that for a type of nonreversible Monte Carlo Markov chains and processes, of current or renewed interest in th…
Approximate Bayesian computation allows for inference of complicated probabilistic models with intractable likelihoods using model simulations. The Markov chain Monte Carlo implementation of approximate Bayesian computation is often sensitive to the tolerance parameter: low tolerance leads to poor mixing and large tolerance entails excess bias. We consider an approach using a relatively large tolerance for the Markov chain Monte Carlo sampler to ensure its sufficient mixing, and post-processing the output leading to estimators for a range of finer tolerances. We introduce an approximate confid…
Markov chain Monte Carlo is a class of algorithms for drawing Markovian samples from high-dimensional target densities to approximate the numerical integration associated with computing statistical expectation, especially in Bayesian statistics. However, many Markov chain Monte Carlo algorithms do not seem to share the same theoretical support and each algorithm is proven in a different way. This incurs many terminologies and ancillary concepts, which makes Markov chain Monte Carlo literature seems to be scattered and intimidating to researchers from many other fields, including new researcher…
University of Illinois at Urbana-Champaign（伊利诺伊大学厄巴纳-香槟分校）；Oak Ridge National Laboratory（橡树岭国家实验室）
We develop an Evolutionary Markov Chain Monte Carlo (EMCMC) algorithm for sampling spatial partitions that lie within a large and complex spatial state space. Our algorithm combines the advantages of evolutionary algorithms (EAs) as optimization heuristics for state space traversal and the theoretical convergence properties of Markov Chain Monte Carlo algorithms for sampling from unknown distributions. Local optimality information that is identified via a directed search by our optimization heuristic is used to adaptively update a Markov chain in a promising direction within the framework of a…
