Interacting multiple try algorithms with different proposal distributions

We introduce a new class of interacting Markov chain Monte Carlo (MCMC) algorithms which is designed to increase the efficiency of a modified multiple-try Metropolis (MTM) sampler. The extension with respect to the existing MCMC literature is twofold. First, the sampler proposed extends the basic MTM algorithm by allowing for different proposal distributions in the multiple-try generation step. Second, we exploit the different proposal distributions to naturally introduce an interacting MTM mechanism (IMTM) that expands the class of population Monte Carlo methods and builds connections with the rapidly expanding world of adaptive MCMC. We show the validity of the algorithm and discuss the choice of the selection weights and of the different proposals. The numerical studies show that the interaction mechanism allows the IMTM to efficiently explore the state space leading to higher efficiency than other competing algorithms.     

Free energy methods for Bayesian inference: efficient exploration of univariate Gaussian mixture posteriors

Because of their multimodality, mixture posterior distributions are difficult to sample with standard Markov chain Monte Carlo (MCMC) methods. We propose a strategy to enhance the sampling of MCMC in this context, using a biasing procedure which originates from computational Statistical Physics. The principle is first to choose a “reaction coordinate”, that is, a “direction” in which the target distribution is multimodal. In a second step, the marginal log-density of the reaction coordinate with respect to the posterior distribution is estimated; minus this quantity is called “free energy” in the computational Statistical Physics literature. To this end, we use adaptive biasing Markov chain algorithms which adapt their targeted invariant distribution on the fly, in order to overcome sampling barriers along the chosen reaction coordinate. Finally, we perform an importance sampling step in order to remove the bias and recover the true posterior. The efficiency factor of the importance sampling step can easily be estimated a priori once the bias is known, and appears to be rather large for the test cases we considered.     

Tuning tempered transitions

The method of tempered transitions was proposed by Neal (Stat. Comput. 6:353–366, 1996) for tackling the difficulties arising when using Markov chain Monte Carlo to sample from multimodal distributions. In common with methods such as simulated tempering and Metropolis-coupled MCMC, the key idea is to utilise a series of successively easier to sample distributions to improve movement around the state space. Tempered transitions does this by incorporating moves through these less modal distributions into the MCMC proposals. Unfortunately the improved movement between modes comes at a high computational cost with a low acceptance rate of expensive proposals. We consider how the algorithm may be tuned to increase the acceptance rates for a given number of temperatures. We find that the commonly assumed geometric spacing of temperatures is reasonable in many but not all applications.     

Adaptive evolutionary Monte Carlo algorithm for optimization with applications to sensor placement problems

In this paper, we present an adaptive evolutionary Monte Carlo algorithm (AEMC), which combines a tree-based predictive model with an evolutionary Monte Carlo sampling procedure for the purpose of global optimization. Our development is motivated by sensor placement applications in engineering, which requires optimizing certain complicated “black-box” objective function. The proposed method is able to enhance the optimization efficiency and effectiveness as compared to a few alternative strategies. AEMC falls into the category of adaptive Markov chain Monte Carlo (MCMC) algorithms and is the first adaptive MCMC algorithm that simulates multiple Markov chains in parallel. A theorem about the ergodicity property of the AEMC algorithm is stated and proven. We demonstrate the advantages of the proposed method by applying it to a sensor placement problem in a manufacturing process, as well as to a standard Griewank test function.     

A Markov Chain Monte Carlo version of the genetic algorithm Differential Evolution: easy Bayesian computing for real parameter spaces

Differential Evolution (DE) is a simple genetic algorithm for numerical optimization in real parameter spaces. In a statistical context one would not just want the optimum but also its uncertainty. The uncertainty distribution can be obtained by a Bayesian analysis (after specifying prior and likelihood) using Markov Chain Monte Carlo (MCMC) simulation. This paper integrates the essential ideas of DE and MCMC, resulting in Differential Evolution Markov Chain (DE-MC). DE-MC is a population MCMC algorithm, in which multiple chains are run in parallel. DE-MC solves an important problem in MCMC, namely that of choosing an appropriate scale and orientation for the jumping distribution. In DE-MC the jumps are simply a fixed multiple of the differences of two random parameter vectors that are currently in the population. The selection process of DE-MC works via the usual Metropolis ratio which defines the probability with which a proposal is accepted. In tests with known uncertainty distributions, the efficiency of DE-MC with respect to random walk Metropolis with optimal multivariate Normal jumps ranged from 68% for small population sizes to 100% for large population sizes and even to 500% for the 97.5% point of a variable from a 50-dimensional Student distribution. Two Bayesian examples illustrate the potential of DE-MC in practice. DE-MC is shown to facilitate multidimensional updates in a multi-chain “Metropolis-within-Gibbs” sampling approach. The advantage of DE-MC over conventional MCMC are simplicity, speed of calculation and convergence, even for nearly collinear parameters and multimodal densities.     

Adaptive independence samplers

Markov chain Monte Carlo (MCMC) is an important computational technique for generating samples from non-standard probability distributions. A major challenge in the design of practical MCMC samplers is to achieve efficient convergence and mixing properties. One way to accelerate convergence and mixing is to adapt the proposal distribution in light of previously sampled points, thus increasing the probability of acceptance. In this paper, we propose two new adaptive MCMC algorithms based on the Independent Metropolis–Hastings algorithm. In the first, we adjust the proposal to minimize an estimate of the cross-entropy between the target and proposal distributions, using the experience of pre-runs. This approach provides a general technique for deriving natural adaptive formulae. The second approach uses multiple parallel chains, and involves updating chains individually, then updating a proposal density by fitting a Bayesian model to the population. An important feature of this approach is that adapting the proposal does not change the limiting distributions of the chains. Consequently, the adaptive phase of the sampler can be continued indefinitely. We include results of numerical experiments indicating that the new algorithms compete well with traditional Metropolis–Hastings algorithms. We also demonstrate the method for a realistic problem arising in Comparative Genomics.     

Adaptive methods for sequential importance sampling with application to state space models

In this paper we discuss new adaptive proposal strategies for sequential Monte Carlo algorithms—also known as particle filters—relying on criteria evaluating the quality of the proposed particles. The choice of the proposal distribution is a major concern and can dramatically influence the quality of the estimates. Thus, we show how the long-used coefficient of variation (suggested by Kong et al. in J. Am. Stat. Assoc. 89(278–288):590–599, 1994) of the weights can be used for estimating the chi-square distance between the target and instrumental distributions of the auxiliary particle filter. As a by-product of this analysis we obtain an auxiliary adjustment multiplier weight type for which this chi-square distance is minimal. Moreover, we establish an empirical estimate of linear complexity of the Kullback-Leibler divergence between the involved distributions. Guided by these results, we discuss adaptive designing of the particle filter proposal distribution and illustrate the methods on a numerical example. This work was partly supported by the National Research Agency (ANR) under the program “ANR-05-BLAN-0299”.     

Layered adaptive importance sampling

Monte Carlo methods represent the de facto standard for approximating complicated integrals involving multidimensional target distributions. In order to generate random realizations from the target distribution, Monte Carlo techniques use simpler proposal probability densities to draw candidate samples. The performance of any such method is strictly related to the specification of the proposal distribution, such that unfortunate choices easily wreak havoc on the resulting estimators. In this work, we introduce a layered (i.e., hierarchical) procedure to generate samples employed within a Monte Carlo scheme. This approach ensures that an appropriate equivalent proposal density is always obtained automatically (thus eliminating the risk of a catastrophic performance), although at the expense of a moderate increase in the complexity. Furthermore, we provide a general unified importance sampling (IS) framework, where multiple proposal densities are employed and several IS schemes are introduced by applying the so-called deterministic mixture approach. Finally, given these schemes, we also propose a novel class of adaptive importance samplers using a population of proposals, where the adaptation is driven by independent parallel or interacting Markov chain Monte Carlo (MCMC) chains. The resulting algorithms efficiently combine the benefits of both IS and MCMC methods.     

Sequential Monte Carlo on large binary sampling spaces

A Monte Carlo algorithm is said to be adaptive if it automatically calibrates its current proposal distribution using past simulations. The choice of the parametric family that defines the set of proposal distributions is critical for good performance. In this paper, we present such a parametric family for adaptive sampling on high dimensional binary spaces. A practical motivation for this problem is variable selection in a linear regression context. We want to sample from a Bayesian posterior distribution on the model space using an appropriate version of Sequential Monte Carlo. Raw versions of Sequential Monte Carlo are easily implemented using binary vectors with independent components. For high dimensional problems, however, these simple proposals do not yield satisfactory results. The key to an efficient adaptive algorithm are binary parametric families which take correlations into account, analogously to the multivariate normal distribution on continuous spaces. We provide a review of models for binary data and make one of them work in the context of Sequential Monte Carlo sampling. Computational studies on real life data with about a hundred covariates suggest that, on difficult instances, our Sequential Monte Carlo approach clearly outperforms standard techniques based on Markov chain exploration.     

Automating and evaluating reversible jump MCMC proposal distributions

The reversible jump Markov chain Monte Carlo (MCMC) sampler (Green in Biometrika 82:711–732, 1995) has become an invaluable device for Bayesian practitioners. However, the primary difficulty with the sampler lies with the efficient construction of transitions between competing models of possibly differing dimensionality and interpretation. We propose the use of a marginal density estimator to construct between-model proposal distributions. This provides both a step towards black-box simulation for reversible jump samplers, and a tool to examine the utility of common between-model mapping strategies. We compare the performance of our approach to well established alternatives in both time series and mixture model examples.     

Markov chain Monte Carlo algorithms with sequential proposals

We explore a general framework in Markov chain Monte Carlo (MCMC) sampling where sequential proposals are tried as a candidate for the next state of the Markov chain. This sequential-proposal framework can be applied to various existing MCMC methods, including Metropolis–Hastings algorithms using random proposals and methods that use deterministic proposals such as Hamiltonian Monte Carlo (HMC) or the bouncy particle sampler. Sequential-proposal MCMC methods construct the same Markov chains as those constructed by the delayed rejection method under certain circumstances. In the context of HMC, the sequential-proposal approach has been proposed as extra chance generalized hybrid Monte Carlo (XCGHMC). We develop two novel methods in which the trajectories leading to proposals in HMC are automatically tuned to avoid doubling back, as in the No-U-Turn sampler (NUTS). The numerical efficiency of these new methods compare favorably to the NUTS. We additionally show that the sequential-proposal bouncy particle sampler enables the constructed Markov chain to pass through regions of low target density and thus facilitates better mixing of the chain when the target density is multimodal.

     

Model based labeling for mixture models

Label switching is one of the fundamental problems for Bayesian mixture model analysis. Due to the permutation invariance of the mixture posterior, we can consider that the posterior of a m-component mixture model is a mixture distribution with m! symmetric components and therefore the object of labeling is to recover one of the components. In order to do labeling, we propose to first fit a symmetric m!-component mixture model to the Markov chain Monte Carlo (MCMC) samples and then choose the label for each sample by maximizing the corresponding classification probabilities, which are the probabilities of all possible labels for each sample. Both parametric and semi-parametric ways are proposed to fit the symmetric mixture model for the posterior. Compared to the existing labeling methods, our proposed method aims to approximate the posterior directly and provides the labeling probabilities for all possible labels and thus has a model explanation and theoretical support. In addition, we introduce a situation in which the “ideally” labeled samples are available and thus can be used to compare different labeling methods. We demonstrate the success of our new method in dealing with the label switching problem using two examples.     

Following a moving target—Monte Carlo inference for dynamic Bayesian models

Markov chain Monte Carlo (MCMC) sampling is a numerically intensive simulation technique which has greatly improved the practicality of Bayesian inference and prediction. However, MCMC sampling is too slow to be of practical use in problems involving a large number of posterior (target) distributions, as in dynamic modelling and predictive model selection. Alternative simulation techniques for tracking moving target distributions, known as particle filters, which combine importance sampling, importance resampling and MCMC sampling, tend to suffer from a progressive degeneration as the target sequence evolves. We propose a new technique, based on these same simulation methodologies, which does not suffer from this progressive degeneration.     

Sampling-based Inference of Time Deformation Models with Heavy Tail Distributions

This article focuses on simulation-based inference for the time-deformation models directed by a duration process. In order to better capture the heavy tail property of the time series of financial asset returns, the innovation of the observation equation is subsequently assumed to have a Student-t distribution. Suitable Markov chain Monte Carlo (MCMC) algorithms, which are hybrids of Gibbs and slice samplers, are proposed for estimation of the parameters of these models. In the algorithms, the parameters of the models can be sampled either directly from known distributions or through an efficient slice sampler. The states are simulated one at a time by using a Metropolis-Hastings method, where the proposal distributions are sampled through a slice sampler. Simulation studies conducted in this article suggest that our extended models and accompanying MCMC algorithms work well in terms of parameter estimation and volatility forecast.     

Computational methods for complex stochastic systems: a review of some alternatives to MCMC

We consider analysis of complex stochastic models based upon partial information. MCMC and reversible jump MCMC are often the methods of choice for such problems, but in some situations they can be difficult to implement; and suffer from problems such as poor mixing, and the difficulty of diagnosing convergence. Here we review three alternatives to MCMC methods: importance sampling, the forward-backward algorithm, and sequential Monte Carlo (SMC). We discuss how to design good proposal densities for importance sampling, show some of the range of models for which the forward-backward algorithm can be applied, and show how resampling ideas from SMC can be used to improve the efficiency of the other two methods. We demonstrate these methods on a range of examples, including estimating the transition density of a diffusion and of a discrete-state continuous-time Markov chain; inferring structure in population genetics; and segmenting genetic divergence data.     

The application of robust Bayesian analysis to hypothesis testing and Occam's Razor

Summary Robust Bayesian analysis deals simultaneously with a class of possible prior distributions, instead of a single distribution. This paper concentrates on the surprising results that can be obtained when applying the theory to problems of testing precise hypotheses when the “objective” class of prior distributions is assumed. First, an example is given demonstrating the serious inadequacy of P-values for this problem. Next, it is shown how the approach can provide statistical quantification of Occam's Razor, the famous principle of science that advocates choice of the simpler of two hypothetical explanations of data. Finally, the theory is applied to multinomial testing. Research supported by the National Science Foundation, Grant DMS-8923071, and by NASA Contract NAS5-29285 for the hubble Space Telescope.     

Diffusive nested sampling

We introduce a general Monte Carlo method based on Nested Sampling (NS), for sampling complex probability distributions and estimating the normalising constant. The method uses one or more particles, which explore a mixture of nested probability distributions, each successive distribution occupying ∼e ⁻¹ times the enclosed prior mass of the previous distribution. While NS technically requires independent generation of particles, Markov Chain Monte Carlo (MCMC) exploration fits naturally into this technique. We illustrate the new method on a test problem and find that it can achieve four times the accuracy of classic MCMC-based Nested Sampling, for the same computational effort; equivalent to a factor of 16 speedup. An additional benefit is that more samples and a more accurate evidence value can be obtained simply by continuing the run for longer, as in standard MCMC.     

A note on conditional Wilcoxon tests with natural and mid-ranks

Consider the nonparametric 2-sample problem with ties. It is shown that the conditional variance (given the vector of lengths of ties) of the Wilcoxon statistic is with “natural” ranks at most as large as with “mid-” (also “mean”, “average”) ranks.     

Convergence assessment techniques for Markov chain Monte Carlo

MCMC methods have effectively revolutionised the field of Bayesian statistics over the past few years. Such methods provide invaluable tools to overcome problems with analytic intractability inherent in adopting the Bayesian approach to statistical modelling.However, any inference based upon MCMC output relies critically upon the assumption that the Markov chain being simulated has achieved a steady state or converged. Many techniques have been developed for trying to determine whether or not a particular Markov chain has converged, and this paper aims to review these methods with an emphasis on the mathematics underpinning these techniques, in an attempt to summarise the current state-of-play for convergence assessment techniques and to motivate directions for future research in this area.     

Difficulties and ambiguities in the definition of a likelihood function

Summary The likelihood function plays a very important role in the development of both the theory and practice of statistics. It is somewhat surprising to realize that no general rigorous definition of a likelihood function seem to ever have been given. Through a series of examples it is argued that no such definition is possible, illustrating the difficulties and ambiguities encountered specially in situations involving “random variables” and ”parameters” which are not of primary interest. The fundamental role of such auxiliary quantities (unfairly called “nuisance”) is highlighted and a very simple function is argued to convey all the information provided by the observations.