Hamiltonian Monte Carlo (HMC) is a powerful Markov Chain Monte Carlo (MCMC) method for sampling from complex high-dimensional continuous distributions. However, in many situations it is necessary or desirable to combine HMC with other Metropolis-Hastings (MH) samplers. The common HMC-within-Gibbs strategy implies a trade-off between long HMC trajectories and more frequent other MH updates. Addressing this trade-off has been the focus of several recent works. In this paper we propose Metropolis Augmented Hamiltonian Monte Carlo (MAHMC), an HMC variant that allows MH updates within HMC and eliminates this trade-off. Experiments on two representative examples demonstrate MAHMC's efficiency and ease of use when compared with within-Gibbs alternatives.
Monte Carlo methods, such as Markov chain Monte Carlo (MCMC) algorithms, have become very popular in signal processing over the last years. In this work, we introduce a novel MCMC scheme where parallel MCMC chains interact, adapting cooperatively the parameters of their proposal functions. Furthermore, the novel algorithm distributes the computational effort adaptively, rewarding the chains which are providing better performance and, possibly even stopping other ones. These extinct chains can be reactivated if the algorithm considers necessary. Numerical simulations shows the benefits of the n…
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…
Adaptive Importance Tempering: A flexible approach to improve computational efficiency of Metropolis Coupled Markov Chain Monte Carlo algorithms on binary spaces
We consider the problem of inference for nonlinear, multivariate diffusion processes, satisfying Itô stochastic differential equations (SDEs), using data at discrete times that may be incomplete and subject to measurement error. Our starting point is a state-of-the-art correlated pseudo-marginal Metropolis-Hastings algorithm, that uses correlated particle filters to induce strong and positive correlation between successive likelihood estimates. However, unless the measurement error or the dimension of the SDE is small, correlation can be eroded by the resampling steps in the particle filter. W…
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…
Pseudo-marginal Markov chain Monte Carlo methods for sampling from intractable distributions have gained recent interest and have been theoretically studied in considerable depth. Their main appeal is that they are exact, in the sense that they target marginally the correct invariant distribution. However, the pseudo-marginal Markov chain can exhibit poor mixing and slow convergence towards its target. As an alternative, a subtly different Markov chain can be simulated, where better mixing is possible but the exactness property is sacrificed. This is the noisy algorithm, initially conceptualis…
The Monte Carlo within Metropolis (MCwM) algorithm, interpreted as a perturbed Metropolis-Hastings (MH) algorithm, provides an approach for approximate sampling when the target distribution is intractable. Assuming the unperturbed Markov chain is geometrically ergodic, we show explicit estimates of the difference between the n-th step distributions of the perturbed MCwM and the unperturbed MH chains. These bounds are based on novel perturbation results for Markov chains which are of interest beyond the MCwM setting. To apply the bounds, we need to control the difference between the transition …
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…
Bayesian methods are critical for quantifying the behaviors of systems. They capture our uncertainty about a system's behavior using probability distributions and update this understanding as new information becomes available. Probabilistic predictions that incorporate this uncertainty can then be made to evaluate system performance and make decisions. While Bayesian methods are very useful, they are often computationally intensive. This necessitates the development of more efficient algorithms. Here, we discuss a group of population Markov Chain Monte Carlo (MCMC) methods for Bayesian updatin…
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.
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…
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…
Statistical Data Assimilation (SDA) is the transfer of information from field or laboratory observations to a user selected model of the dynamical system producing those observations. The data is noisy and the model has errors; the information transfer addresses properties of the conditional probability distribution of the states of the model conditioned on the observations. The quantities of interest in SDA are the conditional expected values of functions of the model state, and these require the approximate evaluation of high dimensional integrals. We introduce a conditional probability dist…
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…
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…
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。
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…
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…
Markov Chain Monte Carlo methods are widely used in signal processing and communications for statistical inference and stochastic optimization. In this work, we introduce an efficient adaptive Metropolis-Hastings algorithm to draw samples from generic multi-modal and multi-dimensional target distributions. The proposal density is a mixture of Gaussian densities with all parameters (weights, mean vectors and covariance matrices) updated using all the previously generated samples applying simple recursive rules. Numerical results for the one and two-dimensional cases are provided.
We develop a theory of weak Poincaré inequalities to characterize convergence rates of ergodic Markov chains. Motivated by the application of Markov chains in the context of algorithms, we develop a relevant set of tools which enable the practical study of convergence rates in the setting of Markov chain Monte Carlo methods, but also well beyond.
Markov Chain Monte Carlo (MCMC) algorithms are widely used for stochastic optimization, sampling, and integration of mathematical objective functions, in particular, in the context of Bayesian inverse problems and parameter estimation. For decades, the algorithm of choice in MCMC simulations has been the Metropolis-Hastings (MH) algorithm. An advancement over the traditional MH-MCMC sampler is the Delayed-Rejection Adaptive Metropolis (DRAM). In this paper, we present MatDRAM, a stochastic optimization, sampling, and Monte Carlo integration toolbox in MATLAB which implements a variant of the D…
We analyse computational efficiency of Metropolis-Hastings algorithms with stochastic AR(1) process proposals. These proposals include, as a subclass, discretized Langevin diffusion (e.g. MALA) and discretized Hamiltonian dynamics (e.g. HMC). We derive expressions for the expected acceptance rate and expected jump size for MCMC methods with general stochastic AR(1) process proposals for the case where the target distribution is absolutely continuous with respect to a Gaussian and the covariance of the Gaussian is allowed to have off-diagonal terms. This allows us to extend what is known about …
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…
The Hamiltonian Monte Carlo (HMC) method has been recognized as a powerful sampling tool in computational statistics. We show that performance of HMC can be significantly improved by incorporating importance sampling and an irreversible part of the dynamics into a chain. This is achieved by replacing Hamiltonians in the Metropolis test with modified Hamiltonians, and a complete momentum update with a partial momentum refreshment. We call the resulting generalized HMC importance sampler---Mix & Match Hamiltonian Monte Carlo (MMHMC). The method is irreversible by construction and further benefit…
Couplings play a central role in the analysis of Markov chain Monte Carlo algorithms and appear increasingly often in the algorithms themselves, e.g. in convergence diagnostics, parallelization, and variance reduction techniques. Existing couplings of the Metropolis-Hastings algorithm handle the proposal and acceptance steps separately and fall short of the upper bound on one-step meeting probabilities given by the coupling inequality. This paper introduces maximal couplings which achieve this bound while retaining the practical advantages of current methods. We consider the properties of thes…
We present ParaDRAM, a high-performance Parallel Delayed-Rejection Adaptive Metropolis Markov Chain Monte Carlo software for optimization, sampling, and integration of mathematical objective functions encountered in scientific inference. ParaDRAM is currently accessible from several popular programming languages including C/C++, Fortran, MATLAB, Python and is part of the ParaMonte open-source project with the following principal design goals: 1. full automation of Monte Carlo simulations, 2. interoperability of the core library with as many programming languages as possible, thus, providing a …
Markov Chain Monte Carlo (MCMC) methods are a powerful tool for computation with complex probability distributions. However the performance of such methods is critically dependant on properly tuned parameters, most of which are difficult if not impossible to know a priori for a given target distribution. Adaptive MCMC methods aim to address this by allowing the parameters to be updated during sampling based on previous samples from the chain at the expense of requiring a new theoretical analysis to ensure convergence. In this work we extend the convergence theory of adaptive MCMC methods to a …
Many applications in signal processing require the estimation of some parameters of interest given a set of observed data. More specifically, Bayesian inference needs the computation of {\it a-posteriori} estimators which are often expressed as complicated multi-dimensional integrals. Unfortunately, analytical expressions for these estimators cannot be found in most real-world applications, and Monte Carlo methods are the only feasible approach. A very powerful class of Monte Carlo techniques is formed by the Markov Chain Monte Carlo (MCMC) algorithms. They generate a Markov chain such that it…
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…
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 cha…
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.
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…
We consider deployment of the particle filter on modern massively parallel hardware architectures, such as Graphics Processing Units (GPUs), with a focus on the resampling stage. While standard multinomial and stratified resamplers require a sum of importance weights computed collectively between threads, a Metropolis resampler favourably requires only pair-wise ratios between weights, computed independently by threads, and can be further tuned for performance by adjusting its number of iterations. While achieving respectable results for the stratified and multinomial resamplers, we demonstrat…
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…
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.
The Metropolis-Hastings (MH) algorithm is the prototype for a class of Markov chain Monte Carlo methods that propose transitions between states and then accept or reject the proposal. These methods generate a correlated sequence of random samples that convey information about the desired probability distribution. Deciding how this information gets recorded is an important step in the practical design of MH-class algorithm implementations. Many implementations discard most of this information in order to reduce demands on storage capacity and disk writing throughput. Here, we describe how recor…
Riemannian manifold Hamiltonian (RMHMC) and Lagrangian Monte Carlo (LMC) have emerged as powerful methods of Bayesian inference. Unlike Euclidean Hamiltonian Monte Carlo (EHMC) and the Metropolis-adjusted Langevin algorithm (MALA), the geometric ergodicity of these Riemannian algorithms has not been extensively studied. On the other hand, the manifold Metropolis-adjusted Langevin algorithm (MMALA) has recently been shown to exhibit geometric ergodicity under certain conditions. This work investigates the mixture of the LMC and RMHMC transition kernels with MMALA in order to equip the resulting…
When an unbiased estimator of the likelihood is used within a Metropolis--Hastings chain, it is necessary to trade off the number of Monte Carlo samples used to construct this estimator against the asymptotic variances of averages computed under this chain. Many Monte Carlo samples will typically result in Metropolis--Hastings averages with lower asymptotic variances than the corresponding Metropolis--Hastings averages using fewer samples. However, the computing time required to construct the likelihood estimator increases with the number of Monte Carlo samples. Under the assumption that the d…
Markov chain Monte Carlo (MCMC) methods are sampling methods that have become a commonly used tool in statistics, for example to perform Monte Carlo integration. As a consequence of the increase in computational power, many variations of MCMC methods exist for generating samples from arbitrary, possibly complex, target distributions. The performance of an MCMC method is predominately governed by the choice of the so-called proposal distribution used. In this paper, we introduce a new type of proposal distribution for the use in MCMC methods that operates component-wise and with multiple trials…
Hybrid Monte Carlo (HMC) generates samples from a prescribed probability distribution in a configuration space by simulating Hamiltonian dynamics, followed by the Metropolis (-Hastings) acceptance/rejection step. Compressible HMC (CHMC) generalizes HMC to a situation in which the dynamics is reversible but not necessarily Hamiltonian. This article presents a framework to further extend the algorithm. Within the existing framework, each trajectory of the dynamics must be integrated for the same amount of (random) time to generate a valid Metropolis proposal. Our generalized acceptance/rejection…
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,…
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…
There has been considerable interest in designing Markov chain Monte Carlo algorithms by exploiting numerical methods for Langevin dynamics, which includes Hamiltonian dynamics as a deterministic case. A prominent approach is Hamiltonian Monte Carlo (HMC), where a leapfrog discretization of Hamiltonian dynamics is employed. We investigate a recently proposed class of irreversible sampling algorithms, called Hamiltonian assisted Metropolis sampling (HAMS), which uses an augmented target density similarly as in HMC, but involves a flexible proposal scheme and a carefully formulated acceptance-re…
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…
We consider the approximation of expectations with respect to the distribution of a latent Markov process given noisy measurements. This is known as the smoothing problem and is often approached with particle and Markov chain Monte Carlo (MCMC) methods. These methods provide consistent but biased estimators when run for a finite time. We propose a simple way of coupling two MCMC chains built using Particle Independent Metropolis-Hastings (PIMH) to produce unbiased smoothing estimators. Unbiased estimators are appealing in the context of parallel computing, and facilitate the construction of co…
DeepMind（深度思维）；University College of London（伦敦大学学院）；Univ. of Econ. and Business（经济与商业大学）；The Alan Turing Institute（艾伦·图灵研究所）
We introduce a gradient-based learning method to automatically adapt Markov chain Monte Carlo (MCMC) proposal distributions to intractable targets. We define a maximum entropy regularised objective function, referred to as generalised speed measure, which can be robustly optimised over the parameters of the proposal distribution by applying stochastic gradient optimisation. An advantage of our method compared to traditional adaptive MCMC methods is that the adaptation occurs even when candidate state values are rejected. This is a highly desirable property of any adaptation strategy because th…
Couplings play a central role in the analysis of Markov chain convergence and in the construction of novel Markov chain Monte Carlo estimators, diagnostics, and variance reduction techniques. The set of possible couplings is often intractable, frustrating the search for tight bounds and efficient estimators. To address this challenge for algorithms in the Metropolis-Hastings (MH) family, we establish a simple characterization of the set of MH transition kernel couplings. We then extend this result to describe the set of maximal couplings of the MH kernel, resolving an open question of O'Leary …
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…
