We propose approaches for testing implementations of Markov Chain Monte Carlo methods as well as of general Monte Carlo methods. Based on statistical hypothesis tests, these approaches can be used in a unit testing framework to, for example, check if individual steps in a Gibbs sampler or a reversible jump MCMC have the desired invariant distribution. Two exact tests for assessing whether a given Markov chain has a specified invariant distribution are discussed. These and other tests of Monte Carlo methods can be embedded into a sequential method that allows low expected effort if the simulation shows the desired behavior and high power if it does not. Moreover, the false rejection probability can be kept arbitrarily low. For general Monte Carlo methods, this allows testing, for example, if a sampler has a specified distribution or if a sampler produces samples with the desired mean. The methods have been implemented in the R-package MCUnit.
Markov Chain Monte Carlo (MCMC) requires to evaluate the full data likelihood at different parameter values iteratively and is often computationally infeasible for large data sets. In this paper, we propose to approximate the log-likelihood with subsamples taken according to nonuniform subsampling probabilities, and derive the most likely optimal (MLO) subsampling probabilities for better approximation. Compared with existing subsampled MCMC algorithm with equal subsampling probabilities, our MLO subsampled MCMC has a higher estimation efficiency with the same subsampling ratio. We also derive…
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 a…
Markov chain Monte Carlo (MCMC) methods provide consistent of integrals as the number of iterations goes to infinity. MCMC estimators are generally biased after any fixed number of iterations. We propose to remove this bias by using couplings of Markov chains together with a telescopic sum argument of Glynn and Rhee (2014). The resulting unbiased estimators can be computed independently in parallel. We discuss practical couplings for popular MCMC algorithms. We establish the theoretical validity of the proposed estimators and study their efficiency relative to the underlying MCMC algorithms. F…
As it has become common to use many computer cores in routine applications, finding good ways to parallelize popular algorithms has become increasingly important. In this paper, we present a parallelization scheme for Markov chain Monte Carlo (MCMC) methods based on spectral clustering of the underlying state space, generalizing earlier work on parallelization of MCMC methods by state space partitioning. We show empirically that this approach speeds up MCMC sampling for multimodal distributions and that it can be usefully applied in greater generality than several related algorithms. Our algor…
Constructing unbiased estimators from Markov chain Monte Carlo (MCMC) outputs is a difficult problem that has recently received a lot of attention in the statistics and machine learning communities. However, the current unbiased MCMC framework only works when the quantity of interest is an expectation, which excludes many practical applications. In this paper, we propose a general method for constructing unbiased estimators for functions of expectations and extend it to construct unbiased estimators for nested expectations. Our approach combines and generalizes the unbiased MCMC and Multilevel…
Markov chain Monte Carlo (MCMC) is a sampling-based method for estimating features of probability distributions. MCMC methods produce a serially correlated, yet representative, sample from the desired distribution. As such it can be difficult to know when the MCMC method is producing reliable results. We introduce some fundamental methods for ensuring a trustworthy simulation experiment. In particular, we present a workflow for output analysis in MCMC providing estimators, approximate sampling distributions, stopping rules, and visualization tools.
Markov chain Monte Carlo (MCMC) is a popular and successful general-purpose tool for Bayesian inference. However, MCMC cannot be practically applied to large data sets because of the prohibitive cost of evaluating every likelihood term at every iteration. Here we present Firefly Monte Carlo (FlyMC) an auxiliary variable MCMC algorithm that only queries the likelihoods of a potentially small subset of the data at each iteration yet simulates from the exact posterior distribution, in contrast to recent proposals that are approximate even in the asymptotic limit. FlyMC is compatible with a wide v…
Spectral subsampling MCMC was recently proposed to speed up Markov chain Monte Carlo (MCMC) for long stationary univariate time series by subsampling periodogram observations in the frequency domain. This article extends the approach to multivariate time series using a multivariate generalisation of the Whittle likelihood. To assess the computational gains from spectral subsampling in challenging problems, a multivariate generalisation of the autoregressive tempered fractionally integrated moving average model (ARTFIMA) is introduced and some of its properties derived. Bayesian inference based…
The need to calibrate increasingly complex statistical models requires a persistent effort for further advances on available, computationally intensive Monte Carlo methods. We study here an advanced version of familiar Markov Chain Monte Carlo (MCMC) algorithms that sample from target distributions defined as change of measures from Gaussian laws on general Hilbert spaces. Such a model structure arises in several contexts: we focus here at the important class of statistical models driven by diffusion paths whence the Wiener process constitutes the reference Gaussian law. Particular emphasis is…
Markov chain Monte Carlo (MCMC) is one of the most useful approaches to scientific computing because of its flexible construction, ease of use and generality. Indeed, MCMC is indispensable for performing Bayesian analysis. Two critical questions that MCMC practitioners need to address are where to start and when to stop the simulation. Although a great amount of research has gone into establishing convergence criteria and stopping rules with sound theoretical foundation, in practice, MCMC users often decide convergence by applying empirical diagnostic tools. This review article discusses the m…
In cohort studies binary outcomes are very often analyzed by logistic regression. However, it is well-known that when the goal is to estimate a risk ratio, the logistic regression is inappropriate if the outcome is common. In these cases, a log-binomial regression model is preferable. On the other hand, the estimation of the regression coefficients of the log-binomial model is difficult due to the constraints that must be imposed on these coefficients. Bayesian methods allow a straightforward approach for log-binomial regression models, produce smaller mean squared errors and the posterior inf…
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.
Bayesian inference under a set of priors, called robust Bayesian analysis, allows for estimation of parameters within a model and quantification of epistemic uncertainty in quantities of interest by bounded (or imprecise) probability. Iterative importance sampling can be used to estimate bounds on the quantity of interest by optimizing over the set of priors. A method for iterative importance sampling when the robust Bayesian inference rely on Markov chain Monte Carlo (MCMC) sampling is proposed. To accommodate the MCMC sampling in iterative importance sampling, a new expression for the effect…
Autocovariances are a fundamental quantity of interest in Markov chain Monte Carlo (MCMC) simulations with autocorrelation function (ACF) plots being an integral visualization tool for performance assessment. Unfortunately, for slow-mixing Markov chains, the empirical autocovariance can highly underestimate the truth. For multiple-chain MCMC sampling, we propose a globally-centered estimator of the autocovariance function (G-ACvF) that exhibits significant theoretical and empirical improvements. We show that the bias of the G-ACvF estimator is smaller than the bias of the current state-of-the-…
Markov chain Monte Carlo (MCMC) sampling is an important and commonly used tool for the analysis of hierarchical models. Nevertheless, practitioners generally have two options for MCMC: utilize existing software that generates a black-box "one size fits all" algorithm, or the challenging (and time consuming) task of implementing a problem-specific MCMC algorithm. Either choice may result in inefficient sampling, and hence researchers have become accustomed to MCMC runtimes on the order of days (or longer) for large models. We propose an automated procedure to determine an efficient MCMC algori…
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…
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…
Markov chain Monte Carlo (MCMC) algorithms provide a very general recipe for estimating properties of complicated distributions. While their use has become commonplace and there is a large literature on MCMC theory and practice, MCMC users still have to contend with several challenges with each implementation of the algorithm. These challenges include determining how to construct an efficient algorithm, finding reasonable starting values, deciding whether the sample-based estimates are accurate, and determining an appropriate length (stopping rule) for the Markov chain. We describe an approach…
Markov chain Monte Carlo (MCMC) algorithms are widely used to sample from complicated distributions, especially to sample from the posterior distribution in Bayesian inference. However, MCMC is not directly applicable when facing the doubly intractable problem. In this paper, we discussed and compared two existing solutions -- Pseudo-marginal Monte Carlo and Exchange Algorithm. This paper also proposes a novel algorithm: Multi-armed Bandit MCMC (MABMC), which chooses between two (or more) randomized acceptance ratios in each step. MABMC could be applied directly to incorporate Pseudo-marginal …
An efficient simulation-based methodology is proposed for the rolling window estimation of state space models, called particle rolling Markov chain Monte Carlo (MCMC) with double block sampling. In our method, which is based on Sequential Monte Carlo (SMC), particles are sequentially updated to approximate the posterior distribution for each window by learning new information and discarding old information from observations. Th particles are refreshed with an MCMC algorithm when the importance weights degenerate. To avoid degeneracy, which is crucial for reducing the computation time, we intro…
Lagrange Mathematics and Computing Research Center（拉格朗日数学与计算研究中心）；Ecole Polytechnique（巴黎综合理工学院）；Université Paris-Saclay（巴黎萨克雷大学）；Ecole Normale Supérieure Paris-Saclay（巴黎-萨克雷高等师范学院）
Performing reliable Bayesian inference on a big data scale is becoming a keystone in the modern era of machine learning. A workhorse class of methods to achieve this task are Markov chain Monte Carlo (MCMC) algorithms and their design to handle distributed datasets has been the subject of many works. However, existing methods are not completely either reliable or computationally efficient. In this paper, we propose to fill this gap in the case where the dataset is partitioned and stored on computing nodes within a cluster under a master/slaves architecture. We derive a user-friendly centralise…
University of Toronto（多伦多大学）；Harvard University（哈佛大学）
Markov Chain Monte Carlo (MCMC) algorithms are a workhorse of probabilistic modeling and inference, but are difficult to debug, and are prone to silent failure if implemented naively. We outline several strategies for testing the correctness of MCMC algorithms. Specifically, we advocate writing code in a modular way, where conditional probability calculations are kept separate from the logic of the sampler. We discuss strategies for both unit testing and integration testing. As a running example, we show how a Python implementation of Gibbs sampling for a mixture of Gaussians model can be test…
Sequential Monte Carlo (SMC) methods are not only a popular tool in the analysis of state space models, but offer an alternative to MCMC in situations where Bayesian inference must proceed via simulation. This paper introduces a new SMC method that uses adaptive MCMC kernels for particle dynamics. The proposed algorithm features an online stochastic optimization procedure to select the best MCMC kernel and simultaneously learn optimal tuning parameters. Theoretical results are presented that justify the approach and give guidance on how it should be implemented. Empirical results, based on ana…
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 consider state and parameter estimation in multiple target tracking problems with data association uncertainties and unknown number of targets. We show how the problem can be recast into a conditionally linear Gaussian state-space model with unknown parameters and present an algorithm for computationally efficient inference on the resulting model. The proposed algorithm is based on combining the Rao-Blackwellized Monte Carlo data association algorithm with particle Markov chain Monte Carlo algorithms to jointly estimate both parameters and data associations. Both particle marginal Metropoli…
Bayesian inference using Markov Chain Monte Carlo (MCMC) on large datasets has developed rapidly in recent years. However, the underlying methods are generally limited to relatively simple settings where the data have specific forms of independence. We propose a novel technique for speeding up MCMC for time series data by efficient data subsampling in the frequency domain. For several challenging time series models, we demonstrate a speedup of up to two orders of magnitude while incurring negligible bias compared to MCMC on the full dataset. We also propose alternative control variates for var…
Markov chain Monte Carlo (MCMC) methods are ubiquitous tools for simulation-based inference in many fields but designing and identifying good MCMC samplers is still an open question. This paper introduces a novel MCMC algorithm, namely, Auto Adapt MCMC. For sampling variables or blocks of variables, we use two levels of adaptation where the inner adaptation optimizes the MCMC performance within each sampler, while the outer adaptation explores the valid space of kernels to find the optimal samplers. We provide a theoretical foundation for our approach. To show the generality and usefulness of …
Delayed-acceptance Markov chain Monte Carlo (DA-MCMC) samples from a probability distribution via a two-stages version of the Metropolis-Hastings algorithm, by combining the target distribution with a "surrogate" (i.e. an approximate and computationally cheaper version) of said distribution. DA-MCMC accelerates MCMC sampling in complex applications, while still targeting the exact distribution. We design a computationally faster, albeit approximate, DA-MCMC algorithm. We consider parameter inference in a Bayesian setting where a surrogate likelihood function is introduced in the delayed-accept…
In geostatistics, Gaussian random fields are often used to model heterogeneities of soil or subsurface parameters. To give spatial approximations of these random fields, they are discretized. Then, different techniques of geostatistical inversion are used to condition them on measurement data. Among these techniques, Markov chain Monte Carlo (MCMC) techniques stand out, because they yield asymptotically unbiased conditional realizations. However, standard Markov Chain Monte Carlo (MCMC) methods suffer the curse of dimensionality when refining the discretization. This means that their efficienc…
We consider conditional tests for non-negative discrete exponential families. We develop two Markov Chain Monte Carlo (MCMC) algorithms which allow us to sample from the conditional space and to perform approximated tests. The first algorithm is based on the MCMC sampling described by Sturmfels. The second MCMC sampling consists in a more efficient algorithm which exploits the optimal partition of the conditional space into orbits of permutations. We thus establish a link between standard permutation and algebraic-statistics-based sampling. Through a simulation study we compare the exact cumul…
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…
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…
In big data context, traditional MCMC methods, such as Metropolis-Hastings algorithms and hybrid Monte Carlo, scale poorly because of their need to evaluate the likelihood over the whole data set at each iteration. In order to resurrect MCMC methods, numerous approaches belonging to two categories: divide-and-conquer and subsampling, are proposed. In this article, we study the parallel MCMC and propose a new combination method in the divide-and-conquer framework. Compared with some parallel MCMC methods, such as consensus Monte Carlo, Weierstrass Sampler, instead of sampling from subposteriors…
An introduction to the use of linchpin variables in Markov chain Monte Carlo (MCMC) is provided. Before the widespread adoption of MCMC methods, conditional sampling using linchpin variables was essentially the only practical approach for simulating from multivariate distributions. With the advent of MCMC, linchpin variables were largely ignored. However, there has been a resurgence of interest in using them in conjunction with MCMC methods and there are good reasons for doing so. A simple derivation of the method is provided, its validity, benefits, and limitations are discussed, and some exa…
Markov chain Monte Carlo (MCMC) is one of the main workhorses of probabilistic inference, but it is notoriously hard to measure the quality of approximate posterior samples. This challenge is particularly salient in black box inference methods, which can hide details and obscure inference failures. In this work, we extend the recently introduced bidirectional Monte Carlo technique to evaluate MCMC-based posterior inference algorithms. By running annealed importance sampling (AIS) chains both from prior to posterior and vice versa on simulated data, we upper bound in expectation the symmetrized…
The Rosenbrock function is an ubiquitous benchmark problem for numerical optimisation, and variants have been proposed to test the performance of Markov Chain Monte Carlo algorithms. In this work we discuss the two-dimensional Rosenbrock density, its current $n$-dimensional extensions, and their advantages and limitations. We then propose a new extension to arbitrary dimensions called the Hybrid Rosenbrock distribution, which is composed of conditional normal kernels arranged in such a way that preserves the key features of the original kernel. Moreover, due to its structure, the Hybrid Rosenb…
In this paper, we introduce a reversible version of a genetically modified mode jumping Markov chain Monte Carlo algorithm (GMJMCMC) for inference on posterior model probabilities in complex model spaces, where the number of explanatory variables is prohibitively large for classical Markov Chain Monte Carlo methods. Unlike the earlier proposed GMJMCMC algorithm, the introduced algorithm is a proper MCMC and its limiting distribution corresponds to the posterior marginal model probabilities in the explored model space under reasonable regularity conditions.
Generalized linear mixed models (GLMMs) are often used for analyzing correlated non-Gaussian data. The likelihood function in a GLMM is available only as a high dimensional integral, and thus closed-form inference and prediction are not possible for GLMMs. Since the likelihood is not available in a closed-form, the associated posterior densities in Bayesian GLMMs are also intractable. Generally, Markov chain Monte Carlo (MCMC) algorithms are used for conditional simulation in GLMMs and exploring these posterior densities. In this article, we present different state of the art MCMC algorithms f…
Performing numerical integration when the integrand itself cannot be evaluated point-wise is a challenging task that arises in statistical analysis, notably in Bayesian inference for models with intractable likelihood functions. Markov chain Monte Carlo (MCMC) algorithms have been proposed for this setting, such as the pseudo-marginal method for latent variable models and the exchange algorithm for a class of undirected graphical models. As with any MCMC algorithm, the resulting estimators are justified asymptotically in the limit of the number of iterations, but exhibit a bias for any fixed n…
Markov chain Monte Carlo algorithms are used to simulate from complex statistical distributions by way of a local exploration of these distributions. This local feature avoids heavy requests on understanding the nature of the target, but it also potentially induces a lengthy exploration of this target, with a requirement on the number of simulations that grows with the dimension of the problem and with the complexity of the data behind it. Several techniques are available towards accelerating the convergence of these Monte Carlo algorithms, either at the exploration level (as in tempering, Ham…
ParaMonte::Python (standing for Parallel Monte Carlo in Python) is a serial and MPI-parallelized library of (Markov Chain) Monte Carlo (MCMC) routines for sampling mathematical objective functions, in particular, the posterior distributions of parameters in Bayesian modeling and analysis in data science, Machine Learning, and scientific inference in general. In addition to providing access to fast high-performance serial/parallel Monte Carlo and MCMC sampling routines, the ParaMonte::Python library provides extensive post-processing and visualization tools that aim to automate and streamline t…
Proximal Markov Chain Monte Carlo is a novel construct that lies at the intersection of Bayesian computation and convex optimization, which helped popularize the use of nondifferentiable priors in Bayesian statistics. Existing formulations of proximal MCMC, however, require hyperparameters and regularization parameters to be prespecified. In this work, we extend the paradigm of proximal MCMC through introducing a novel new class of nondifferentiable priors called epigraph priors. As a proof of concept, we place trend filtering, which was originally a nonparametric regression problem, in a para…
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,…
Variational Inference (VI) is a method that approximates a difficult-to-compute posterior density using better behaved distributional families. VI is an alternative to the already well-studied Markov chain Monte Carlo (MCMC) method of approximating densities. With each algorithm, there are of course benefits and drawbacks; does there exist a combination of the two that mitigates the flaws of both? We propose a method to combine Coordinate Ascent Variational Inference (CAVI) with MCMC. This new methodology, termed Hybrid CAVI, seeks to improve the sensitivity to initialization and convergence p…
Bayesian computation crucially relies on Markov chain Monte Carlo (MCMC) algorithms. In the case of massive data sets, running the Metropolis-Hastings sampler to draw from the posterior distribution becomes prohibitive due to the large number of likelihood terms that need to be calculated at each iteration. In order to perform Bayesian inference for a large set of time series, we consider an algorithm that combines 'divide and conquer" ideas previously used to design MCMC algorithms for big data with a sequential MCMC strategy. The performance of the method is illustrated using a large set of …
Bayesian inference for factorial hidden Markov models is challenging due to the exponentially sized latent variable space. Standard Monte Carlo samplers can have difficulties effectively exploring the posterior landscape and are often restricted to exploration around localised regions that depend on initialisation. We introduce a general purpose ensemble Markov Chain Monte Carlo (MCMC) technique to improve on existing poorly mixing samplers. This is achieved by combining parallel tempering and an auxiliary variable scheme to exchange information between the chains in an efficient way. The latt…
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 paper we consider fully Bayesian inference in general state space models. Existing particle Markov chain Monte Carlo (MCMC) algorithms use an augmented model that takes into account all the variable sampled in a sequential Monte Carlo algorithm. This paper describes an approach that also uses sequential Monte Carlo to construct an approximation to the state space, but generates extra states using MCMC runs at each time point. We construct an augmented model for our extended space with the marginal distribution of the sampled states matching the posterior distribution of the state vecto…
Stochastic gradient Markov chain Monte Carlo (SGMCMC) is a popular class of algorithms for scalable Bayesian inference. However, these algorithms include hyperparameters such as step size or batch size that influence the accuracy of estimators based on the obtained posterior samples. As a result, these hyperparameters must be tuned by the practitioner and currently no principled and automated way to tune them exists. Standard MCMC tuning methods based on acceptance rates cannot be used for SGMCMC, thus requiring alternative tools and diagnostics. We propose a novel bandit-based algorithm that …
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…
We propose a Markov chain Monte Carlo (MCMC) scheme to perform state inference in non-linear non-Gaussian state-space models. Current state-of-the-art methods to address this problem rely on particle MCMC techniques and its variants, such as the iterated conditional Sequential Monte Carlo (cSMC) scheme, which uses a Sequential Monte Carlo (SMC) type proposal within MCMC. A deficiency of standard SMC proposals is that they only use observations up to time $t$ to propose states at time $t$ when an entire observation sequence is available. More sophisticated SMC based on lookahead techniques coul…
