Sampling from posterior distributions using Markov chain Monte Carlo (MCMC) methods can require an exhaustive number of iterations, particularly when the posterior is multi-modal as the MCMC sampler can become trapped in a local mode for a large number of iterations. In this paper, we introduce the pseudo-extended MCMC method as a simple approach for improving the mixing of the MCMC sampler for multi-modal posterior distributions. The pseudo-extended method augments the state-space of the posterior using pseudo-samples as auxiliary variables. On the extended space, the modes of the posterior are connected, which allows the MCMC sampler to easily move between well-separated posterior modes. We demonstrate that the pseudo-extended approach delivers improved MCMC sampling over the Hamiltonian Monte Carlo algorithm on multi-modal posteriors, including Boltzmann machines and models with sparsity-inducing priors.
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 …
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 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.
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…
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.
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.
Markov chain Monte Carlo (MCMC) algorithms are generally regarded as the gold standard technique for Bayesian inference. They are theoretically well-understood and conceptually simple to apply in practice. The drawback of MCMC is that in general performing exact inference requires all of the data to be processed at each iteration of the algorithm. For large data sets, the computational cost of MCMC can be prohibitive, which has led to recent developments in scalable Monte Carlo algorithms that have a significantly lower computational cost than standard MCMC. In this paper, we focus on a partic…
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.
We explore a general framework in Markov chain Monte Carlo (MCMC) sampling where sequential proposals are tried as a candidate for the next state of the Markov chain. This sequential-proposal framework can be applied to various existing MCMC methods, including Metropolis-Hastings algorithms using random proposals and methods that use deterministic proposals such as Hamiltonian Monte Carlo (HMC) or the bouncy particle sampler. Sequential-proposal MCMC methods construct the same Markov chains as those constructed by the delayed rejection method under certain circumstances. In the context of HMC,…
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…
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…
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.
Imperial College London（伦敦帝国学院）；ORT Braude College of Engineering（ORT Braude工程学院）
We present a geometrically enhanced Markov chain Monte Carlo sampler for networks based on a discrete curvature measure defined on graphs. Specifically, we incorporate the concept of graph Forman curvature into sampling procedures on both the nodes and edges of a network explicitly, via the transition probability of the Markov chain, as well as implicitly, via the target stationary distribution, which gives a novel, curved Markov chain Monte Carlo approach to learning networks. We show that integrating curvature into the sampler results in faster convergence to a wide range of network statisti…
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 (MCMC) is widely regarded as one of the most important algorithms of the 20th century. Its guarantees of asymptotic convergence, stability, and estimator-variance bounds using only unnormalized probability functions make it indispensable to probabilistic programming. In this paper, we introduce the TensorFlow Probability MCMC toolkit, and discuss some of the considerations that motivated its design.
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.
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…
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…
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…
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.
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.
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.
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…
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…
In this chapter, we review some of the most standard MCMC tools used in Bayesian computation, along with vignettes on standard misunderstandings of these approaches taken from Q \&~A's on the forum Cross-validated answered by the first author.
We propose a weighting scheme for the proposals within Markov chain Monte Carlo algorithms and show how this can improve statistical efficiency at no extra computational cost. These methods are most powerful when combined with multi-proposal MCMC algorithms such as multiple-try Metropolis, which can efficiently exploit modern computer architectures with large numbers of cores. The locally weighted Markov chain Monte Carlo method also improves upon a partial parallelization of the Metropolis-Hastings algorithm via Rao-Blackwellization. We derive the effective sample size of the output of our al…
Markov chain Monte Carlo is a widely-used technique for generating a dependent sequence of samples from complex distributions. Conventionally, these methods require a source of independent random variates. Most implementations use pseudo-random numbers instead because generating true independent variates with a physical system is not straightforward. In this paper we show how to modify some commonly used Markov chains to use a dependent stream of random numbers in place of independent uniform variates. The resulting Markov chains have the correct invariant distribution without requiring detail…
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 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 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 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 …
It is commonly admitted that non-reversible Markov chain Monte Carlo (MCMC) algorithms usually yield more accurate MCMC estimators than their reversible counterparts. In this note, we show that in addition to their variance reduction effect, some non-reversible MCMC algorithms have also the undesirable property to slow down the convergence of the Markov chain. This point, which has been overlooked by the literature, has obvious practical implications. We illustrate this phenomenon for different non-reversible versions of the Metropolis-Hastings algorithm on several discrete state space example…
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.
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…
Irreversible and rejection-free Monte Carlo methods, recently developed in Physics under the name Event-Chain and known in Statistics as Piecewise Deterministic Monte Carlo (PDMC), have proven to produce clear acceleration over standard Monte Carlo methods, thanks to the reduction of their random-walk behavior. However, while applying such schemes to standard statistical models, one generally needs to introduce an additional randomization for sake of correctness. We propose here a new class of Event-Chain Monte Carlo methods that reduces this extra-randomization to a bare minimum. We compare t…
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…
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…
We consider the problem of estimating expectations by using Markov chain Monte Carlo methods and improving the accuracy by replacing IID uniform random points with quasi-Monte Carlo (QMC) points. Recently, it has been shown that Markov chain QMC remains consistent when the driving sequences are completely uniformly distributed (CUD). However, the definition of CUD sequences is not constructive, so an implementation method using short-period Tausworthe generators (i.e., linear feedback shift register generators over the two-element field) that approximate CUD sequences has been proposed. In thi…
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…
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.
In this work, we establish $\mathrm{L}^2$-exponential convergence for a broad class of Piecewise Deterministic Markov Processes recently proposed in the context of Markov Process Monte Carlo methods and covering in particular the Randomized Hamiltonian Monte Carlo, the Zig-Zag process and the Bouncy Particle Sampler. The kernel of the symmetric part of the generator of such processes is non-trivial, and we follow the ideas recently introduced by (Dolbeault et al., 2009, 2015) to develop a rigorous framework for hypocoercivity in a fairly general and unifying set-up, while deriving tractable es…
This paper studies the mixing time of certain adaptive Markov Chain Monte Carlo algorithms. Under some regularity conditions, we show that the convergence rate of Importance Resampling MCMC (IRMCMC) algorithm, measured in terms of the total variation distance is $O(n^{-1})$, and by means of an example, we establish that in general, this algorithm does not converge at a faster rate. We also study the Equi-Energy sampler and establish that its mixing time is of order $O(n^{-1/2})$.
We propose a new algorithm to do posterior sampling of Kingman's coalescent, based upon the Particle Markov Chain Monte Carlo methodology. Specifically, the algorithm is an instantiation of the Particle Gibbs Sampling method, which alternately samples coalescent times conditioned on coalescent tree structures, and tree structures conditioned on coalescent times via the conditional Sequential Monte Carlo procedure. We implement our algorithm as a C++ package, and demonstrate its utility via a parameter estimation task in population genetics on both single- and multiple-locus data. The experimen…
Parameter estimation for discretely observed Markov processes is a challenging problem. However, simulation of Markov processes is straightforward using the Gillespie algorithm. We exploit this ease of simulation to develop an effective sequential Monte Carlo (SMC) algorithm for obtaining samples from the posterior distribution of the parameters. In particular, we introduce two key innovations, coupled simulations, which allow us to study multiple parameter values on the basis of a single simulation, and a simple, yet effective, importance sampling scheme for steering simulations towards the o…
