Handling multimodality that commonly arises from complicated statistical models remains a challenge. Current Markov chain Monte Carlo (MCMC) methodology tackling this subject is based on an ensemble of chains targeting a product of power-tempered distributions. Despite the theoretical validity of such methods, practical implementations typically suffer from bad mixing and slow convergence due to the high-computation cost involved. In this work we study novel extensions of the t-walk algorithm, an existing MCMC method that is inexpensive and invariant to affine transformations of the state space, for dealing with multimodal distributions. We acknowledge that the effectiveness of the new method will be problem dependent and might struggle in complex scenarios; for such cases we propose a post-processing technique based on pseudo-marginal theory for combining isolated samples.
We propose and analyze two new MCMC sampling algorithms, the Vaidya walk and the John walk, for generating samples from the uniform distribution over a polytope. Both random walks are sampling algorithms derived from interior point methods. The former is based on volumetric-logarithmic barrier introduced by Vaidya whereas the latter uses John's ellipsoids. We show that the Vaidya walk mixes in significantly fewer steps than the logarithmic-barrier based Dikin walk studied in past work. For a polytope in $\mathbb{R}^d$ defined by $n >d$ linear constraints, we show that the mixing time from a wa…
Chirp signals are frequently used in different areas of science and engineering. MCMC based Bayesian inference is done here for purpose of one step and multiple step prediction in case of one dimensional single chirp signal with i.\ i.\ d.\ error structure as well as dependent error structure with exponentially decaying covariances. We use Gibbs sampling technique and random walk MCMC to update the parameters. We perform total five simulation studies for illustration purpose. We also do some real data analysis to show how the method is working in practice.
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…
A new methodology is presented for the construction of control variates to reduce the variance of additive functionals of Markov Chain Monte Carlo (MCMC) samplers. Our control variates are definedthrough the minimization of the asymptotic variance of the Langevin diffusion over a family of functions, which can be seen as a quadratic risk minimization procedure. The use of these control variates is theoretically justified. We show that the asymptotic variances of some well-known MCMC algorithms, including the Random Walk Metropolis and the (Metropolis) Unadjusted/Adjusted Langevin Algorithm, ar…
In this paper a method based on a Markov chain Monte Carlo (MCMC) algorithm is proposed to compute the probability of a rare event. The conditional distribution of the underlying process given that the rare event occurs has the probability of the rare event as its normalizing constant. Using the MCMC methodology a Markov chain is simulated, with that conditional distribution as its invariant distribution, and information about the normalizing constant is extracted from its trajectory. The algorithm is described in full generality and applied to the problem of computing the probability that a h…
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 n…
This paper develops the use of Dirichlet forms to deliver proofs of optimal scaling results for Markov chain Monte Carlo algorithms (specifically, Metropolis-Hastings random walk samplers) under regularity conditions which are substantially weaker than those required by the original approach (based on the use of infinitesimal generators). The Dirichlet form methods have the added advantage of providing an explicit construction of the underlying infinite-dimensional context. In particular, this enables us directly to establish weak convergence to the relevant infinite-dimensional distributions.
One main limitation of the existing optimal scaling results for Metropolis--Hastings algorithms is that the assumptions on the target distribution are unrealistic. In this paper, we consider optimal scaling of random-walk Metropolis algorithms on general target distributions in high dimensions arising from practical MCMC models from Bayesian statistics. For optimal scaling by maximizing expected squared jumping distance (ESJD), we show the asymptotically optimal acceptance rate $0.234$ can be obtained under general realistic sufficient conditions on the target distribution. The new sufficient …
A novel adaptive Markov chain Monte Carlo algorithm is presented. The algorithm utilizes sparsity in the partial correlation structure of a density to efficiently estimate the covariance matrix through the Cholesky factor of the precision matrix. The algorithm also utilizes the sparsity to sample efficiently from both MALA and Metropolis Hasting random walk proposals. Further, an algorithm that estimates the partial correlation structure of a density is proposed. Combining this with the Cholesky factor estimation algorithm results in an efficient black-box AMCMC method that can be used for gen…
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…
Monte Carlo (MC) methods are widely used for Bayesian inference and optimization in statistics, signal processing and machine learning. A well-known class of MC methods are Markov Chain Monte Carlo (MCMC) algorithms. In order to foster better exploration of the state space, specially in high-dimensional applications, several schemes employing multiple parallel MCMC chains have been recently introduced. In this work, we describe a novel parallel interacting MCMC scheme, called {\it orthogonal MCMC} (O-MCMC), where a set of "vertical" parallel MCMC chains share information using some "horizontal…
We introduce a new Markov chain Monte Carlo (MCMC) sampler called the Markov Interacting Importance Sampler (MIIS). The MIIS sampler uses conditional importance sampling (IS) approximations to jointly sample the current state of the Markov Chain and estimate conditional expectations, possibly by incorporating a full range of variance reduction techniques. We compute Rao-Blackwellized estimates based on the conditional expectations to construct control variates for estimating expectations under the target distribution. The control variates are particularly efficient when there are substantial c…
In this paper we examine the implications of the statistical large sample theory for the computational complexity of Bayesian and quasi-Bayesian estimation carried out using Metropolis random walks. Our analysis is motivated by the Laplace-Bernstein-Von Mises central limit theorem, which states that in large samples the posterior or quasi-posterior approaches a normal density. Using the conditions required for the central limit theorem to hold, we establish polynomial bounds on the computational complexity of general Metropolis random walks methods in large samples. Our analysis covers cases w…
The literature in social network analysis has largely focused on methods and models which require complete network data; however there exist many networks which can only be studied via sampling methods due to the scale or complexity of the network, access limitations, or the population of interest is hard to reach. In such cases, the application of random walk-based Markov chain Monte Carlo (MCMC) methods to estimate multiple network features is common. However, the reliability of these estimates has been largely ignored. We consider and further develop multivariate MCMC output analysis method…
UC Berkeley Computer Science（加州大学伯克利分校计算机科学系）；Technical University of Denmark（丹麦技术大学）
We propose a new class of learning algorithms that combines variational approximation and Markov chain Monte Carlo (MCMC) simulation. Naive algorithms that use the variational approximation as proposal distribution can perform poorly because this approximation tends to underestimate the true variance and other features of the data. We solve this problem by introducing more sophisticated MCMC algorithms. One of these algorithms is a mixture of two MCMC kernels: a random walk Metropolis kernel and a blockMetropolis-Hastings (MH) kernel with a variational approximation as proposaldistribution. Th…
Very recently, Transformation based Markov Chain Monte Carlo (TMCMC) was proposed by Dutta and Bhattcharya (2013) as a much efficient alternative to the Metropolis-Hastings algorithm, Random Walk Metropolis (RWM) algorithm, especially in high dimensions. The main advantage of this algorithm is that it simultaneously updates all components of a high dimensional parameter by some appropriate deterministic transformation of a single random variable, thereby reducing time complexity and enhancing the acceptance rate. The optimal scaling of the additive TMCMC approach has already been studied for t…
Particle MCMC is a class of algorithms that can be used to analyse state-space models. They use MCMC moves to update the parameters of the models, and particle filters to propose values for the path of the state-space model. Currently the default is to use random walk Metropolis to update the parameter values. We show that it is possible to use information from the output of the particle filter to obtain better proposal distributions for the parameters. In particular it is possible to obtain estimates of the gradient of the log posterior from each run of the particle filter, and use these esti…
An MCMC simulation method based on a two stage delayed rejection Metropolis-Hastings algorithm is proposed to estimate a factor multivariate stochastic volatility model. The first stage uses kstep iteration towards the mode, with k small, and the second stage uses an adaptive random walk proposal density. The marginal likelihood approach of Chib (1995) is used to choose the number of factors, with the posterior density ordinates approximated by Gaussian copula. Simulation and real data applications suggest that the proposed simulation method is computationally much more efficient than the appr…
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…
Hamiltonian dynamics can be used to produce distant proposals for the Metropolis algorithm, thereby avoiding the slow exploration of the state space that results from the diffusive behaviour of simple random-walk proposals. Though originating in physics, Hamiltonian dynamics can be applied to most problems with continuous state spaces by simply introducing fictitious "momentum" variables. A key to its usefulness is that Hamiltonian dynamics preserves volume, and its trajectories can thus be used to define complex mappings without the need to account for a hard-to-compute Jacobian factor - a pr…
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…
Markov Chain Monte Carlo (MCMC) has been the de facto technique for sampling and inference of large graphs such as online social networks. At the heart of MCMC lies the ability to construct an ergodic Markov chain that attains any given stationary distribution $\boldsymbolπ$, often in the form of random walks or crawling agents on the graph. Most of the works around MCMC, however, presume that the graph is undirected or has reciprocal edges, and become inapplicable when the graph is directed and non-reciprocal. Here we develop a similar framework for directed graphs, which we call Non-Markovia…
State-space models have been widely used to model the dynamics of communicable diseases in populations of interest by fitting to time-series data. Particle filters have enabled these models to incorporate stochasticity and so can better reflect the true nature of population behaviours. Relevant parameters such as the spread of the disease, $R_t$, and recovery rates can be inferred using Particle MCMC. The standard method uses a Metropolis-Hastings random-walk proposal which can struggle to reach the stationary distribution in a reasonable time when there are multiple parameters. In this paper …
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…
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…
We introduce a class of generative network models that insert edges by connecting the starting and terminal vertices of a random walk on the network graph. Within the taxonomy of statistical network models, this class is distinguished by permitting the location of a new edge to explicitly depend on the structure of the graph, but being nonetheless statistically and computationally tractable. In the limit of infinite walk length, the model converges to an extension of the preferential attachment model---in this sense, it can be motivated alternatively by asking what preferential attachment is a…
Hamiltonian Monte Carlo (HMC) is a Markov chain Monte Carlo (MCMC) algorithm that avoids the random walk behavior and sensitivity to correlated parameters that plague many MCMC methods by taking a series of steps informed by first-order gradient information. These features allow it to converge to high-dimensional target distributions much more quickly than simpler methods such as random walk Metropolis or Gibbs sampling. However, HMC's performance is highly sensitive to two user-specified parameters: a step size ε and a desired number of steps L. In particular, if L is too small then the algor…
Markov chain Monte Carlo (MCMC) algorithms have long been the main workhorses of Bayesian inference. Among them, Hamiltonian Monte Carlo (HMC) has recently become very popular due to its efficiency resulting from effective use of the gradients of the target distribution. In privacy-preserving machine learning, differential privacy (DP) has become the gold standard in ensuring that the privacy of data subjects is not violated. Existing DP MCMC algorithms either use random-walk proposals, or do not use the Metropolis--Hastings (MH) acceptance test to ensure convergence without decreasing their s…
Hamiltonian Monte Carlo (HMC) has emerged as a powerful Markov Chain Monte Carlo (MCMC) method to sample from complex continuous distributions. However, a fundamental limitation of HMC is that it can not be applied to distributions with mixed discrete and continuous variables. In this paper, we propose mixed HMC (M-HMC) as a general framework to address this limitation. M-HMC is a novel family of MCMC algorithms that evolves the discrete and continuous variables in tandem, allowing more frequent updates of discrete variables while maintaining HMC's ability to suppress random-walk behavior. We …
We introduce a new framework for efficient sampling from complex probability distributions, using a combination of optimal transport maps and the Metropolis-Hastings rule. The core idea is to use continuous transportation to transform typical Metropolis proposal mechanisms (e.g., random walks, Langevin methods) into non-Gaussian proposal distributions that can more effectively explore the target density. Our approach adaptively constructs a lower triangular transport map-an approximation of the Knothe-Rosenblatt rearrangement-using information from previous MCMC states, via the solution of an …
Accurate and efficient estimation of rare events probabilities is of significant importance, since often the occurrences of such events have widespread impacts. The focus in this work is on precisely quantifying these probabilities, often encountered in reliability analysis of complex engineering systems, by introducing a gradient-based Hamiltonian Markov Chain Monte Carlo (HMCMC) framework, termed Approximate Sampling Target with Post-processing Adjustment (ASTPA). The basic idea is to construct a relevant target distribution by weighting the high-dimensional random variable space through a o…
Diffusion limits of MCMC methods in high dimensions provide a useful theoretical tool for studying computational complexity. In particular, they lead directly to precise estimates of the number of steps required to explore the target measure, in stationarity, as a function of the dimension of the state space. However, to date such results have mainly been proved for target measures with a product structure, severely limiting their applicability. The purpose of this paper is to study diffusion limits for a class of naturally occurring high-dimensional measures found from the approximation of me…
The iterated conditional sequential Monte Carlo (i-CSMC) algorithm from Andrieu, Doucet and Holenstein (2010) is an MCMC approach for efficiently sampling from the joint posterior distribution of the $T$ latent states in challenging time-series models, e.g. in non-linear or non-Gaussian state-space models. It is also the main ingredient in particle Gibbs samplers which infer unknown model parameters alongside the latent states. In this work, we first prove that the i-CSMC algorithm suffers from a curse of dimension in the dimension of the states, $D$: it breaks down unless the number of sample…
Harvard University（哈佛大学）；University of Ottawa（渥太华大学）
Hamiltonian Monte Carlo (HMC) is a very popular and generic collection of Markov chain Monte Carlo (MCMC) algorithms. One explanation for the popularity of HMC algorithms is their excellent performance as the dimension $d$ of the target becomes large: under conditions that are satisfied for many common statistical models, optimally-tuned HMC algorithms have a running time that scales like $d^{0.25}$. In stark contrast, the running time of the usual Random-Walk Metropolis (RWM) algorithm, optimally tuned, scales like $d$. This superior scaling of the HMC algorithm with dimension is attributed t…
MCMC methods (Monte Carlo Markov Chain) are a class of methods used to perform simulations per a probability distribution $P$. These methods are often used when we have difficulties to directly sample per a given probability distribution $P$ . This distribution is then considered as a target and generates a Markov chain $(X_n)_{n\in\mathbb{N}}$ that, when $n$ is large we have $X_n\sim P$. These MCMC methods consist of several simulation strategies including the \emph{Independent Sampler (IS)}, the \emph{Random Walk of Metropolis Hastings \small{(RWMH)}}, the \emph{Gibbs sampler}, the \emph{Ada…
I show how one can modify the random-walk Metropolis MCMC method in such a way that a sequence of modified Metropolis updates takes little computation time when the rejection rate is outside a desired interval. This allows one to effectively adapt the scale of the Metropolis proposal distribution, by performing several such "short-cut" Metropolis sequences with varying proposal stepsizes. Unlike other adaptive Metropolis schemes, this method converges to the correct distribution in the same fashion as the standard Metropolis method.
Scaling of proposals for Metropolis algorithms is an important practical problem in MCMC implementation. Criteria for scaling based on empirical acceptance rates of algorithms have been found to work consistently well across a broad range of problems. Essentially, proposal jump sizes are increased when acceptance rates are high and decreased when rates are low. In recent years, considerable theoretical support has been given for rules of this type which work on the basis that acceptance rates around 0.234 should be preferred. This has been based on asymptotic results that approximate high dime…
In the modern age of social media and networks, graph representations of real-world phenomena have become an incredibly useful source to mine insights. Often, we are interested in understanding how entities in a graph are interconnected. The Graph Neural Network (GNN) has proven to be a very useful tool in a variety of graph learning tasks including node classification, link prediction, and edge classification. However, in most of these tasks, the graph data we are working with may be noisy and may contain spurious edges. That is, there is a lot of uncertainty associated with the underlying gr…
The Contrastive Divergence (CD) algorithm has achieved notable success in training energy-based models including Restricted Boltzmann Machines and played a key role in the emergence of deep learning. The idea of this algorithm is to approximate the intractable term in the exact gradient of the log-likelihood function by using short Markov chain Monte Carlo (MCMC) runs. The approximate gradient is computationally-cheap but biased. Whether and why the CD algorithm provides an asymptotically consistent estimate are still open questions. This paper studies the asymptotic properties of the CD algor…
