We study Markov chain Monte Carlo (MCMC) algorithms for target distributions defined on matrix spaces. Such an important sampling problem has yet to be analytically explored. We carry out a major step in covering this gap by developing the proper theoretical framework that allows for the identification of ergodicity properties of typical MCMC algorithms, relevant in such a context. Beyond the standard Random-Walk Metropolis (RWM) and preconditioned Crank--Nicolson (pCN), a contribution of this paper in the development of a novel algorithm, termed the `Mixed' pCN (MpCN). RWM and pCN are shown not to be geometrically ergodic for an important class of matrix distributions with heavy tails. In contrast, MpCN is robust across targets with different tail behaviour and has very good empirical performance within the class of heavy-tailed distributions. Geometric ergodicity for MpCN is not fully proven in this work, as some remaining drift conditions are quite challenging to obtain owing to the complexity of the state space. We do, however, make a lot of progress towards a proof, and show in detail the last steps left for future work.
We illustrate the computational performance of the various algorithms through numerical applications,
including calibration on real data of a challenging model arising in financial statistics.
Accept-reject based Markov chain Monte Carlo (MCMC) algorithms have traditionally utilised acceptance probabilities that can be explicitly written as a function of the ratio of the target density at the two contested points. This feature is rendered almost useless in Bayesian posteriors with unknown functional forms. We introduce a new family of MCMC acceptance probabilities that has the distinguishing feature of not being a function of the ratio of the target density at the two points. We present two stable Bernoulli factories that generate events within this class of acceptance probabilities…
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) 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 …
In this paper we propose a general framework of performing MCMC with only a mini-batch of data. We show by estimating the Metropolis-Hasting ratio with only a mini-batch of data, one is essentially sampling from the true posterior raised to a known temperature. We show by experiments that our method, Mini-batch Tempered MCMC (MINT-MCMC), can efficiently explore multiple modes of a posterior distribution. Based on the Equi-Energy sampler (Kou et al. 2006), we developed a new parallel MCMC algorithm based on the Equi-Energy sampler, which enables efficient sampling from high-dimensional multi-mo…
Bayesian inference of Gibbs random fields (GRFs) is often referred to as a doubly intractable problem, since the likelihood function is intractable. The exploration of the posterior distribution of such models is typically carried out with a sophisticated Markov chain Monte Carlo (MCMC) method, the exchange algorithm (Murray et al., 2006), which requires simulations from the likelihood function at each iteration. The purpose of this paper is to consider an approach to dramatically reduce this computational overhead. To this end we introduce a novel class of algorithms which use realizations of…
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…
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…
Performing Bayesian inference via Markov chain Monte Carlo (MCMC) can be exceedingly expensive when posterior evaluations invoke the evaluation of a computationally expensive model, such as a system of partial differential equations. In recent work [Conrad et al. JASA 2016, arXiv:1402.1694], we described a framework for constructing and refining local approximations of such models during an MCMC simulation. These posterior--adapted approximations harness regularity of the model to reduce the computational cost of inference while preserving asymptotic exactness of the Markov chain. Here we desc…
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,…
Spectral divide-and-conquer MCMC for long stationary time series
University of Technology Sydney（悉尼科技大学）；Human Technology Institute, University of Technology Sydney（悉尼科技大学人类技术研究所）；Guanghua School of Management, Peking University（北京大学光华管理学院）；Stockholm University（斯德哥尔摩大学）；University of New South Wales（新南威尔士大学）
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…
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.
Broad College of Business, Michigan State University（密歇根州立大学布罗德商学院）；the University of Texas at Austin（德克萨斯大学奥斯汀分校）；McCombs School of Business, the University of Texas at Austin（德克萨斯大学奥斯汀分校麦库姆斯商学院）
Leveraging well-established MCMC strategies, we propose MCMC-interactive variational inference (MIVI) to not only estimate the posterior in a time constrained manner, but also facilitate the design of MCMC transitions. Constructing a variational distribution followed by a short Markov chain that has parameters to learn, MIVI takes advantage of the complementary properties of variational inference and MCMC to encourage mutual improvement. On one hand, with the variational distribution locating high posterior density regions, the Markov chain is optimized within the variational inference framewo…
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…
We consider geothermal inverse problems and uncertainty quantification from a Bayesian perspective. Our main goal is to make standard, `out-of-the-box' Markov chain Monte Carlo (MCMC) sampling more feasible for complex simulation models by using suitable approximations. To do this, we first show how to pose both the inverse and prediction problems in a hierarchical Bayesian framework. We then show how to incorporate so-called posterior-informed model approximation error into this hierarchical framework, using a modified form of the Bayesian approximation error (BAE) approach. This enables the …
MCMC methods are used in Bayesian statistics not only to sample from posterior distributions but also to estimate expectations. Underlying functions are most often defined on a continuous state space and can be unbounded. We consider a regenerative setting and Monte Carlo estimators based on i.i.d. blocks of a Markov chain trajectory. The main result is an inequality for the mean square error. We also consider confidence bounds. We first derive the results in terms of the asymptotic variance and then bound the asymptotic variance for both uniformly ergodic and geometrically ergodic Markov chai…
A current challenge for many Bayesian analyses is determining when to terminate high-dimensional Markov chain Monte Carlo simulations. To this end, we propose using an automated sequential stopping procedure that terminates the simulation when the computational uncertainty is small relative to the posterior uncertainty. Such a stopping rule has previously been shown to work well in settings with posteriors of moderate dimension. In this paper, we illustrate its utility in high-dimensional simulations while overcoming some current computational issues. Further, we investigate the relationship b…
We investigate the efficiency of a marginal likelihood estimator where the product of the marginal posterior distributions is used as an importance-sampling function. The approach is generally applicable to multi-block parameter vector settings, does not require additional Markov Chain Monte Carlo (MCMC) sampling and is not dependent on the type of MCMC scheme used to sample from the posterior. The proposed approach is applied to normal regression models, finite normal mixtures and longitudinal Poisson models, and leads to accurate marginal likelihood estimates.
We propose a generic Markov Chain Monte Carlo (MCMC) algorithm to speed up computations for datasets with many observations. A key feature of our approach is the use of the highly efficient difference estimator from the survey sampling literature to estimate the log-likelihood accurately using only a small fraction of the data. Our algorithm improves on the $O(n)$ complexity of regular MCMC by operating over local data clusters instead of the full sample when computing the likelihood. The likelihood estimate is used in a Pseudo-marginal framework to sample from a perturbed posterior which is w…
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…
When conducting Bayesian inference, delayed acceptance (DA) Metropolis-Hastings (MH) algorithms and DA pseudo-marginal MH algorithms can be applied when it is computationally expensive to calculate the true posterior or an unbiased estimate thereof, but a computationally cheap approximation is available. A first accept-reject stage is applied, with the cheap approximation substituted for the true posterior in the MH acceptance ratio. Only for those proposals which pass through the first stage is the computationally expensive true posterior (or unbiased estimate thereof) evaluated, with a secon…
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 …
Label switching is a well-known and fundamental problem in Bayesian estimation of mixture or hidden Markov models. In case that the prior distribution of the model parameters is the same for all states, then both the likelihood and posterior distribution are invariant to permutations of the parameters. This property makes Markov chain Monte Carlo (MCMC) samples simulated from the posterior distribution non-identifiable. In this paper, the \pkg{label.switching} package is introduced. It contains one probabilistic and seven deterministic relabelling algorithms in order to post-process a given MC…
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…
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…
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…
There has been considerable interest in making Bayesian inference more scalable. In big data settings, most literature focuses on reducing the computing time per iteration, with less focused on reducing the number of iterations needed in Markov chain Monte Carlo (MCMC). This article focuses on data augmentation MCMC (DA-MCMC), a widely used technique. DA-MCMC samples tend to become highly autocorrelated in large data samples, due to a miscalibration problem in which conditional posterior distributions given augmented data are too concentrated. This makes it necessary to collect very long MCMC …
Synthetic likelihood (SL) is a strategy for parameter inference when the likelihood function is analytically or computationally intractable. In SL, the likelihood function of the data is replaced by a multivariate Gaussian density over summary statistics of the data. SL requires simulation of many replicate datasets at every parameter value considered by a sampling algorithm, such as Markov chain Monte Carlo (MCMC), making the method computationally-intensive. We propose two strategies to alleviate the computational burden. First, we introduce an algorithm producing a proposal distribution tha…
Markov chain Monte Carlo (MCMC) is widely used for Bayesian inference in models of complex systems. Performance, however, is often unsatisfactory in models with many latent variables due to so-called poor mixing, necessitating development of application specific implementations. This paper introduces "posterior-based proposals" (PBPs), a new type of MCMC update applicable to a huge class of statistical models (whose conditional dependence structures are represented by directed acyclic graphs). PBPs generates large joint updates in parameter and latent variable space, whilst retaining good acce…
Lancaster University（兰卡斯特大学）；University of Washington（华盛顿大学）
It is well known that Markov chain Monte Carlo (MCMC) methods scale poorly with dataset size. A popular class of methods for solving this issue is stochastic gradient MCMC. These methods use a noisy estimate of the gradient of the log posterior, which reduces the per iteration computational cost of the algorithm. Despite this, there are a number of results suggesting that stochastic gradient Langevin dynamics (SGLD), probably the most popular of these methods, still has computational cost proportional to the dataset size. We suggest an alternative log posterior gradient estimate for stochastic…
With the rapidly growing scales of statistical problems, subset based communication-free parallel MCMC methods are a promising future for large scale Bayesian analysis. In this article, we propose a new Weierstrass sampler for parallel MCMC based on independent subsets. The new sampler approximates the full data posterior samples via combining the posterior draws from independent subset MCMC chains, and thus enjoys a higher computational efficiency. We show that the approximation error for the Weierstrass sampler is bounded by some tuning parameters and provide suggestions for choice of the va…
Sample-based Bayesian inference provides a route to uncertainty quantification in the geosciences, and inverse problems in general, though is very computationally demanding in the naive form that requires simulating an accurate computer model at each iteration. We present a new approach that constructs a stochastic correction to the error induced by a reduced model, with the correction improving as the algorithm proceeds. This enables sampling from the correct target distribution at reduced computational cost per iteration, as in existing delayed-acceptance schemes, while avoiding appreciable …
Tsinghua University（清华大学）；University of California, Riverside（加州大学河滨分校）
Neyman-Scott processes (NSPs) have been applied across a range of fields to model points or temporal events with a hierarchy of clusters. Markov chain Monte Carlo (MCMC) is typically used for posterior sampling in the model. However, MCMC's mixing time can cause the resulting inference to be slow, and thereby slow down model learning and prediction. We develop the first variational inference (VI) algorithm for NSPs, and give two examples of suitable variational posterior point process distributions. Our method minimizes the inclusive Kullback-Leibler (KL) divergence for VI to obtain the variat…
The analysis of large scale medical claims data has the potential to improve quality of care by generating insights which can be used to create tailored medical programs. In particular, the multivariate probit model can be used to investigate the correlation between multiple binary responses of interest in such data, e.g. the presence of multiple chronic conditions. Bayesian modeling is well suited to such analyses because of the automatic uncertainty quantification provided by the posterior distribution. A complicating factor is that large medical claims datasets often do not fit in memory, w…
In Bayesian statistics, many problems can be expressed as the evaluation of the expectation of a quantity of interest with respect to the posterior distribution. Standard Monte Carlo method is often not applicable because the encountered posterior distributions cannot be sampled directly. In this case, the most popular strategies are the importance sampling method, Markov chain Monte Carlo, and annealing. In this paper, we introduce a new scheme for Bayesian inference, called Asymptotically Independent Markov Sampling (AIMS), which is based on the above methods. We derive important ergodic pro…
We consider the problem of Bayesian inference for changepoints where the number and position of the changepoints are both unknown. In particular, we consider product partition models where it is possible to integrate out model parameters for the regime between each changepoint, leaving a posterior distribution over a latent vector indicating the presence or not of a changepoint at each observation. The same problem setting has been considered by Fearnhead (2006) where one can use filtering recursions to make exact inference. However the complexity of this algorithm depends quadratically on the…
Communication costs, resulting from synchronization requirements during learning, can greatly slow down many parallel machine learning algorithms. In this paper, we present a parallel Markov chain Monte Carlo (MCMC) algorithm in which subsets of data are processed independently, with very little communication. First, we arbitrarily partition data onto multiple machines. Then, on each machine, any classical MCMC method (e.g., Gibbs sampling) may be used to draw samples from a posterior distribution given the data subset. Finally, the samples from each machine are combined to form samples from t…
Markov chain Monte Carlo (MCMC) simulation methods are widely used to assess parametric uncertainties of hydrologic models conditioned on measurements of observable state variables. However, when the model is CPU-intensive and high-dimensional, the computational cost of MCMC simulation will be prohibitive. In this situation, a CPU-efficient while less accurate low-fidelity model (e.g., a numerical model with a coarser discretization, or a data-driven surrogate) is usually adopted. Nowadays, multi-fidelity simulation methods that can take advantage of both the efficiency of the low-fidelity mod…
An intriguing new class of piecewise deterministic Markov processes (PDMPs) has recently been proposed as an alternative to Markov chain Monte Carlo (MCMC). In order to facilitate the application to a larger class of problems, we propose a new class of PDMPs termed Gibbs zig-zag samplers, which allow parameters to be updated in blocks with a zig-zag sampler applied to certain parameters and traditional MCMC-style updates to others. We demonstrate the flexibility of this framework on posterior sampling for logistic models with shrinkage priors for high-dimensional regression and random effects …
The modern scale of data has brought new challenges to Bayesian inference. In particular, conventional MCMC algorithms are computationally very expensive for large data sets. A promising approach to solve this problem is embarrassingly parallel MCMC (EP-MCMC), which first partitions the data into multiple subsets and runs independent sampling algorithms on each subset. The subset posterior draws are then aggregated via some combining rules to obtain the final approximation. Existing EP-MCMC algorithms are limited by approximation accuracy and difficulty in resampling. In this article, we propo…
In Bayesian analysis, the posterior follows from the data and a choice of a prior and a likelihood. One hopes that the posterior is robust to reasonable variation in the choice of prior and likelihood, since this choice is made by the modeler and is necessarily somewhat subjective. Despite the fundamental importance of the problem and a considerable body of literature, the tools of robust Bayes are not commonly used in practice. This is in large part due to the difficulty of calculating robustness measures from MCMC draws. Although methods for computing robustness measures from MCMC draws exis…
The hierarchical Dirichlet process (HDP) has become an important Bayesian nonparametric model for grouped data, such as document collections. The HDP is used to construct a flexible mixed-membership model where the number of components is determined by the data. As for most Bayesian nonparametric models, exact posterior inference is intractable---practitioners use Markov chain Monte Carlo (MCMC) or variational inference. Inspired by the split-merge MCMC algorithm for the Dirichlet process (DP) mixture model, we describe a novel split-merge MCMC sampling algorithm for posterior inference in the…
Bayesian inference in the presence of an intractable likelihood function is computationally challenging. When following a Markov chain Monte Carlo (MCMC) approach to approximate the posterior distribution in this context, one typically either uses MCMC schemes which target the joint posterior of the parameters and some auxiliary latent variables, or pseudo-marginal Metropolis--Hastings (MH) schemes. The latter mimic a MH algorithm targeting the marginal posterior of the parameters by approximating unbiasedly the intractable likelihood. However, in scenarios where the parameters and auxiliary v…
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…
