Couplings play a central role in contemporary Markov chain Monte Carlo methods and in the analysis of their convergence to stationarity. In most cases, a coupling must induce relatively fast meeting between chains to ensure good performance. In this paper we fix attention on the random walk Metropolis algorithm and examine a range of coupling design choices. We introduce proposal and acceptance step couplings based on geometric, optimal transport, and maximality considerations. We consider the theoretical properties of these choices and examine their implication for the meeting time of the chains. We conclude by extracting a few general principles and hypotheses on the design of effective couplings.
Recently developed adaptive Markov chain Monte Carlo (MCMC) methods have been applied successfully to many problems in Bayesian statistics. Grapham is a new open source implementation covering several such methods, with emphasis on graphical models for directed acyclic graphs. The implemented algorithms include the seminal Adaptive Metropolis algorithm adjusting the proposal covariance according to the history of the chain and a Metropolis algorithm adjusting the proposal scale based on the observed acceptance probability. Different variants of the algorithms allow one, for example, to use the…
Practitioners of Markov chain Monte Carlo (MCMC) may hesitate to use random walk Metropolis-Hastings algorithms, especially variable-at-a-time algorithms with many parameters, because these algorithms require users to select values of tuning parameters (step sizes). These algorithms perform poorly if the step sizes are set to be too low or too high. We show in this paper that it is not difficult for an algorithm to tune these step sizes automatically to obtain a desired acceptance probability, since the logit of the acceptance probability is very nearly linear in the log of the step size, with…
In this article we propose multiplication based random walk Metropolis Hastings (MH) algorithm on the real line. We call it the random dive MH (RDMH) algorithm. This algorithm, even if simple to apply, was not studied earlier in Markov chain Monte Carlo literature. The associated kernel is shown to have standard properties like irreducibility, aperiodicity and Harris recurrence under some mild assumptions. These ensure basic convergence (ergodicity) of the kernel. Further the kernel is shown to be geometric ergodic for a large class of target densities on $\mathbb{R}$. This class even contains…
The random walk Metropolis (RWM) is one of the most common Markov chain Monte Carlo algorithms in practical use today. Its theoretical properties have been extensively explored for certain classes of target, and a number of results with important practical implications have been derived. This article draws together a selection of new and existing key results and concepts and describes their implications. The impact of each new idea on algorithm efficiency is demonstrated for the practical example of the Markov modulated Poisson process (MMPP). A reparameterization of the MMPP which leads to a …
One main limitation of the existing optimal scaling results for Metropolis--Hastings algorithms is that the assumptions on the target distribution are unrealistic. In this paper, we consider optimal scaling of random-walk Metropolis algorithms on general target distributions in high dimensions arising from practical MCMC models from Bayesian statistics. For optimal scaling by maximizing expected squared jumping distance (ESJD), we show the asymptotically optimal acceptance rate $0.234$ can be obtained under general realistic sufficient conditions on the target distribution. The new sufficient …
We examine the optimal scaling and the efficiency of the pseudo-marginal random walk Metropolis algorithm using a recently-derived result on the limiting efficiency as the dimension, $d\rightarrow \infty$. We prove that the optimal scaling for a given target varies by less than $20\%$ across a wide range of distributions for the noise in the estimate of the target, and that any scaling that is within $20\%$ of the optimal one will be at least $70\%$ efficient. We demonstrate that this phenomenon occurs even outside the range of distributions for which we rigorously prove it. We then conduct a …
We show that it is feasible to carry out exact Bayesian inference for non-Gaussian state space models using an adaptive Metropolis Hastings sampling scheme with the likelihood approximated by the particle filter. Furthermore, an adapyive independent Metropolis Hastings sampler based on a mixture of normals proposal is computationally much more efficient than an adaptive random walk proposal because the cost of constructing a good adaptive proposal is negligible compared to the cost of approximating the likelihood. Independent Metropolis Hastings proposals are also attractive because they are e…
We construct a class of non-reversible Metropolis kernels as a multivariate extension of the guided-walk kernel proposed by Gustafson 1998. The main idea of our method is to introduce a projection that maps a state space to a totally ordered group. By using Haar measure, we construct a novel Markov kernel termed Haar-mixture kernel, which is of interest in its own right. This is achieved by inducing a topological structure to the totally ordered group. Our proposed method, the Delta-guided Metropolis--Haar kernel, is constructed by using the Haar-mixture kernel as a proposal kernel. The propos…
Diffusion limits of MCMC methods in high dimensions provide a useful theoretical tool for studying computational complexity. In particular, they lead directly to precise estimates of the number of steps required to explore the target measure, in stationarity, as a function of the dimension of the state space. However, to date such results have mainly been proved for target measures with a product structure, severely limiting their applicability. The purpose of this paper is to study diffusion limits for a class of naturally occurring high-dimensional measures found from the approximation of me…
We introduce a general framework that constructs estimators with reduced variance for random walk Metropolis and Metropolis-adjusted Langevin algorithms. The resulting estimators require negligible computational cost and are derived in a post-process manner utilising all proposal values of the Metropolis algorithms. Variance reduction is achieved by producing control variates through the approximate solution of the Poisson equation associated with the target density of the Markov chain. The proposed method is based on approximating the target density with a Gaussian and then utilising accurate…
This paper proposes a new sampling scheme based on Langevin dynamics that is applicable within pseudo-marginal and particle Markov chain Monte Carlo algorithms. We investigate this algorithm's theoretical properties under standard asymptotics, which correspond to an increasing dimension of the parameters, $n$. Our results show that the behaviour of the algorithm depends crucially on how accurately one can estimate the gradient of the log target density. If the error in the estimate of the gradient is not sufficiently controlled as dimension increases, then asymptotically there will be no advan…
I show how one can modify the random-walk Metropolis MCMC method in such a way that a sequence of modified Metropolis updates takes little computation time when the rejection rate is outside a desired interval. This allows one to effectively adapt the scale of the Metropolis proposal distribution, by performing several such "short-cut" Metropolis sequences with varying proposal stepsizes. Unlike other adaptive Metropolis schemes, this method converges to the correct distribution in the same fashion as the standard Metropolis method.
Particle MCMC is a class of algorithms that can be used to analyse state-space models. They use MCMC moves to update the parameters of the models, and particle filters to propose values for the path of the state-space model. Currently the default is to use random walk Metropolis to update the parameter values. We show that it is possible to use information from the output of the particle filter to obtain better proposal distributions for the parameters. In particular it is possible to obtain estimates of the gradient of the log posterior from each run of the particle filter, and use these esti…
Scaling of proposals for Metropolis algorithms is an important practical problem in MCMC implementation. Criteria for scaling based on empirical acceptance rates of algorithms have been found to work consistently well across a broad range of problems. Essentially, proposal jump sizes are increased when acceptance rates are high and decreased when rates are low. In recent years, considerable theoretical support has been given for rules of this type which work on the basis that acceptance rates around 0.234 should be preferred. This has been based on asymptotic results that approximate high dime…
Various Markov chain Monte Carlo (MCMC) methods are studied to improve upon random walk Metropolis sampling, for simulation from complex distributions. Examples include Metropolis-adjusted Langevin algorithms, Hamiltonian Monte Carlo, and other recent algorithms related to underdamped Langevin dynamics. We propose a broad class of irreversible sampling algorithms, called Hamiltonian assisted Metropolis sampling (HAMS), and develop two specific algorithms with appropriate tuning and preconditioning strategies. Our HAMS algorithms are designed to achieve two distinctive properties, while using a…
We present an adaptive method for the automatic scaling of Random-Walk Metropolis-Hastings algorithms, which quickly and robustly identifies the scaling factor that yields a specified overall sampler acceptance probability. Our method relies on the use of the Robbins-Monro search process, whose performance is determined by an unknown steplength constant. We give a very simple estimator of this constant for proposal distributions that are univariate or multivariate normal, together with a sampling algorithm for automating the method. The effectiveness of the algorithm is demonstrated with both …
We propose a novel Metropolis-Hastings algorithm to sample uniformly from the space of correlation matrices. Existing methods in the literature are based on elaborated representations of a correlation matrix, or on complex parametrizations of it. By contrast, our method is intuitive and simple, based the classical Cholesky factorization of a positive definite matrix and Markov chain Monte Carlo theory. We perform a detailed convergence analysis of the resulting Markov chain, and show how it benefits from fast convergence, both theoretically and empirically. Furthermore, in numerical experiment…
Metropolis Monte Carlo sampling: convergence, localization transition and optimality
Université Paris-Saclay（巴黎-萨克雷大学）；CNRS（法国国家科学研究中心）；Laboratoire de Physique des Solides（固体物理实验室）；LPTMS（理论物理与统计模型实验室）；LPTM（理论物理与建模实验室）；CY Cergy Paris Université（CY塞尔吉巴黎大学）
结合解析与数值方法研究 random walk Metropolis 算法向稳态的收敛性质，发现偏离目标分布的程度存在随跳跃特征长度变化的局域化转变，转变前后的弛豫分别受限于扩散率和拒绝率。
Hamiltonian Monte Carlo (HMC) is a powerful Markov chain Monte Carlo (MCMC) algorithm for estimating expectations with respect to continuous un-normalized probability distributions. MCMC estimators typically have higher variance than classical Monte Carlo with i.i.d. samples due to autocorrelations; most MCMC research tries to reduce these autocorrelations. In this work, we explore a complementary approach to variance reduction based on two classical Monte Carlo "swindles": first, running an auxiliary coupled chain targeting a tractable approximation to the target distribution, and using the a…
We consider a pseudo-marginal Metropolis--Hastings kernel $P_m$ that is constructed using an average of $m$ exchangeable random variables, as well as an analogous kernel $P_s$ that averages $s<m$ of these same random variables. Using an embedding technique to facilitate comparisons, we show that the asymptotic variances of ergodic averages associated with $P_m$ are lower bounded in terms of those associated with $P_s$. We show that the bound provided is tight and disprove a conjecture that when the random variables to be averaged are independent, the asymptotic variance under $P_m$ is never le…
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.
Bayesian modelling and computational inference by Markov chain Monte Carlo (MCMC) is a principled framework for large-scale uncertainty quantification, though is limited in practice by computational cost when implemented in the simplest form that requires simulating an accurate computer model at each iteration of the MCMC. The delayed acceptance Metropolis--Hastings MCMC leverages a reduced model for the forward map to lower the compute cost per iteration, though necessarily reduces statistical efficiency that can, without care, lead to no reduction in the computational cost of computing estim…
University of Toronto（多伦多大学）；Vector Institute（向量研究所）
I show how it can be beneficial to express Metropolis accept/reject decisions in terms of comparison with a uniform [0,1] value, u, and to then update u non-reversibly, as part of the Markov chain state, rather than sampling it independently each iteration. This provides a small improvement for random walk Metropolis and Langevin updates in high dimensions. It produces a larger improvement when using Langevin updates with persistent momentum, giving performance comparable to that of Hamiltonian Monte Carlo (HMC) with long trajectories. This is of significance when some variables are updated by…
We consider the recently introduced Transformation-based Markov Chain Monte Carlo (TMCMC) (Dutta and Bhattacharya (2014)), a methodology that is designed to update all the parameters simultaneously using some simple deterministic transformation of a onedimensional random variable drawn from some arbitrary distribution on a relevant support. The additive transformation based TMCMC is similar in spirit to random walk Metropolis, except the fact that unlike the latter, additive TMCMC uses a single draw from a onedimensional proposal distribution to update the high-dimensional parameter. In this p…
In this paper we examine the implications of the statistical large sample theory for the computational complexity of Bayesian and quasi-Bayesian estimation carried out using Metropolis random walks. Our analysis is motivated by the Laplace-Bernstein-Von Mises central limit theorem, which states that in large samples the posterior or quasi-posterior approaches a normal density. Using the conditions required for the central limit theorem to hold, we establish polynomial bounds on the computational complexity of general Metropolis random walks methods in large samples. Our analysis covers cases w…
Parallel tempering is a generic Markov chain Monte Carlo sampling method which allows good mixing with multimodal target distributions, where conventional Metropolis-Hastings algorithms often fail. The mixing properties of the sampler depend strongly on the choice of tuning parameters, such as the temperature schedule and the proposal distribution used for local exploration. We propose an adaptive algorithm which tunes both the temperature schedule and the parameters of the random-walk Metropolis kernel automatically. We prove the convergence of the adaptation and a strong law of large numbers…
Very recently, Transformation based Markov Chain Monte Carlo (TMCMC) was proposed by Dutta and Bhattcharya (2013) as a much efficient alternative to the Metropolis-Hastings algorithm, Random Walk Metropolis (RWM) algorithm, especially in high dimensions. The main advantage of this algorithm is that it simultaneously updates all components of a high dimensional parameter by some appropriate deterministic transformation of a single random variable, thereby reducing time complexity and enhancing the acceptance rate. The optimal scaling of the additive TMCMC approach has already been studied for t…
We consider a Metropolis--Hastings method with proposal $\mathcal{N}(x, hG(x)^{-1})$, where $x$ is the current state, and study its ergodicity properties. We show that suitable choices of $G(x)$ can change these compared to the Random Walk Metropolis case $\mathcal{N}(x, hΣ)$, either for better or worse. We find that if the proposal variance is allowed to grow unboundedly in the tails of the distribution then geometric ergodicity can be established when the target distribution for the algorithm has tails that are heavier than exponential, but that the growth rate must be carefully controlled t…
The choice of the increment distribution is crucial for the random-walk Metropolis-Hastings (RWM) algorithm. In this paper we study the optimal choice in high-dimension setting among all possible increment distributions. The conclusion is rather counter intuitive, but the optimal rate of convergence is attained by the usual choice, the normal distribution as the increment distribution. In particular, no heavy-tailed increment distribution can improve the rate.
Shielding studies in neutron transport, with Monte Carlo codes, yield challenging problems of small-probability estimation. The particularity of these studies is that the small probability to estimate is formulated in terms of the distribution of a Markov chain, instead of that of a random vector in more classical cases. Thus, it is not straightforward to adapt classical statistical methods, for estimating small probabilities involving random vectors, to these neutron-transport problems. A recent interacting-particle method for small-probability estimation, relying on the Hastings-Metropolis a…
The independence sampler is one of the most commonly used MCMC algorithms usually as a component of a Metropolis-within-Gibbs algorithm. The common focus for the independence sampler is on the choice of proposal distribution to obtain an as high as possible acceptance rate. In this paper we have a somewhat different focus concentrating on the use of the independence sampler for updating augmented data in a Bayesian framework where a natural proposal distribution for the independence sampler exists. Thus we concentrate on the proportion of the augmented data to update to optimise the independen…
MCMC methods (Monte Carlo Markov Chain) are a class of methods used to perform simulations per a probability distribution $P$. These methods are often used when we have difficulties to directly sample per a given probability distribution $P$ . This distribution is then considered as a target and generates a Markov chain $(X_n)_{n\in\mathbb{N}}$ that, when $n$ is large we have $X_n\sim P$. These MCMC methods consist of several simulation strategies including the \emph{Independent Sampler (IS)}, the \emph{Random Walk of Metropolis Hastings \small{(RWMH)}}, the \emph{Gibbs sampler}, the \emph{Ada…
As social network analysis (SNA) has drawn much attention in recent years, one bottleneck of SNA is these network data are too massive to handle. Furthermore, some network data are not accessible due to privacy problems. Therefore, we have to develop sampling methods to draw representative sample graphs from the population graph. In this paper, Metropolis-Hastings Random Walk (MHRW) and Random Walk with Jumps (RWwJ) sampling strategies are introduced, including the procedure of collecting nodes, the underlying mathematical theory, and corresponding estimators. We compared our methods and exist…
High-dimensional limit theorems have been shown useful to derive tuning rules for finding the optimal scaling in random-walk Metropolis algorithms. The assumptions under which weak convergence results are proved are however restrictive: the target density is typically assumed to be of a product form. Users may thus doubt the validity of such tuning rules in practical applications. In this paper, we shed some light on optimal-scaling problems from a different perspective, namely a large-sample one. This allows to prove weak convergence results under realistic assumptions and to propose novel pa…
The literature in social network analysis has largely focused on methods and models which require complete network data; however there exist many networks which can only be studied via sampling methods due to the scale or complexity of the network, access limitations, or the population of interest is hard to reach. In such cases, the application of random walk-based Markov chain Monte Carlo (MCMC) methods to estimate multiple network features is common. However, the reliability of these estimates has been largely ignored. We consider and further develop multivariate MCMC output analysis method…
In order to construct accurate proposers for Metropolis-Hastings Markov Chain Monte Carlo, we integrate ideas from probabilistic graphical models and neural networks in an open-source framework we call Lightweight Inference Compilation (LIC). LIC implements amortized inference within an open-universe declarative probabilistic programming language (PPL). Graph neural networks are used to parameterize proposal distributions as functions of Markov blankets, which during "compilation" are optimized to approximate single-site Gibbs sampling distributions. Unlike prior work in inference compilation …
Czech Technical University in Prague（捷克布拉格技术大学）；SRI International（SRI国际公司）；University of California, San Diego（加州大学圣地亚哥分校）；DEVCOM Army Research Laboratory（美国陆军DEVCOM研究实验室）
Federated learning performed by a decentralized networks of agents is becoming increasingly important with the prevalence of embedded software on autonomous devices. Bayesian approaches to learning benefit from offering more information as to the uncertainty of a random quantity, and Langevin and Hamiltonian methods are effective at realizing sampling from an uncertain distribution with large parameter dimensions. Such methods have only recently appeared in the decentralized setting, and either exclusively use stochastic gradient Langevin and Hamiltonian Monte Carlo approaches that require a d…
A seminal work of Jerrum (1992) showed that large cliques elude the Metropolis process. More specifically, Jerrum showed that the Metropolis algorithm cannot find a clique of size $k=Θ(n^α), α\in (0,1/2)$, which is planted in the Erdős-Rényi random graph $G(n,1/2)$, in polynomial time. Information theoretically it is possible to find such planted cliques as soon as $k \ge (2+ε) \log n$. Since the work of Jerrum, the computational problem of finding a planted clique in $G(n,1/2)$ was studied extensively and many polynomial time algorithms were shown to find the planted clique if it is of size $…
Graph sampling via crawling has been actively considered as a generic and important tool for collecting uniform node samples so as to consistently estimate and uncover various characteristics of complex networks. The so-called simple random walk with re-weighting (SRW-rw) and Metropolis-Hastings (MH) algorithm have been popular in the literature for such unbiased graph sampling. However, an unavoidable downside of their core random walks -- slow diffusion over the space, can cause poor estimation accuracy. In this paper, we propose non-backtracking random walk with re-weighting (NBRW-rw) and M…
The ability to generate samples of the random effects from their conditional distributions is fundamental for inference in mixed effects models. Random walk Metropolis is widely used to conduct such sampling, but such a method can converge slowly for medium dimension problems, or when the joint structure of the distributions to sample is complex. We propose a Metropolis Hastings (MH) algorithm based on a multidimensional Gaussian proposal that takes into account the joint conditional distribution of the random effects and does not require any tuning, in contrast with more sophisticated sampler…
We consider the Random Walk Metropolis algorithm on $\mathbb{R}^n$ with Gaussian proposals, and when the target probability measure is the $n$-fold product of a one-dimensional law. It is well known (see Roberts et al. (Ann. Appl. Probab. 7 (1997) 110-120)) that, in the limit $n\to\infty$, starting at equilibrium and for an appropriate scaling of the variance and of the timescale as a function of the dimension $n$, a diffusive limit is obtained for each component of the Markov chain. In Jourdain et al. (Optimal scaling for the transient phase of the random walk Metropolis algorithm: The mean-f…
Our article is concerned with adaptive sampling schemes for Bayesian inference that update the proposal densities using previous iterates. We introduce a copula based proposal density which is made more efficient by combining it with antithetic variable sampling. We compare the copula based proposal to an adaptive proposal density based on a multivariate mixture of normals and an adaptive random walk Metropolis proposal. We also introduce a refinement of the random walk proposal which performs better for multimodal target distributions. We compare the sampling schemes using challenging but rea…
This work develops a powerful and versatile framework for determining acceptance ratios in Metropolis-Hastings type Markov kernels widely used in statistical sampling problems. Our approach allows us to derive new classes of kernels which unify random walk or diffusion-type sampling methods with more complicated "extended phase space" algorithms based around ideas from Hamiltonian dynamics. Our starting point is an abstract result developed in the generality of measurable state spaces that addresses proposal kernels that possess a certain involution structure. Note that, while this underlying …
We develop lagged Metropolis-Hastings walk for sampling from simple undirected graphs according to given stationary sampling probabilities. We explain how to apply the technique together with designed graphs for sampling of units-in-space. We illustrate that the proposed graph spatial sampling approach can be more flexible for improving the design efficiency compared to the existing spatial sampling methods.
The Reversible Jump algorithm is one of the most widely used Markov chain Monte Carlo algorithms for Bayesian estimation and model selection. A generalized multiple-try version of this algorithm is proposed. The algorithm is based on drawing several proposals at each step and randomly choosing one of them on the basis of weights (selection probabilities) that may be arbitrary chosen. Among the possible choices, a method is employed which is based on selection probabilities depending on a quadratic approximation of the posterior distribution. Moreover, the implementation of the proposed algorit…
