马尔可夫链蒙特卡洛（MCMC）是一种从非标准概率分布中抽取样本的强大方法，并在许多领域和学科中得到应用。诸如Metropolis-Adjusted Langevin（MALA）和Hamiltonian Monte Carlo（HMC）等利用梯度信息探索目标分布的方法，是MCMC的流行变体。序贯蒙特卡洛（SMC）采样器是一种替代采样方法，与MCMC不同，它可以方便地利用并行计算架构，并且还具有MCMC所不具备的调优参数。其中一个参数是L-核，可用于最小化SMC采样器估计值的方差。在这封信中，我们展示了No-U-Turn Sampler（NUTS，HMC的一种高级变体）中使用的提议如何被纳入SMC采样器，以提高目标空间探索的效率。我们还展示了如何同时使用近最优L-核和Hamiltonian提议来优化SMC采样器。
英文摘要：
Markov Chain Monte Carlo (MCMC) is a powerful method for drawing samples from non-standard probability distributions and is utilized across many fields and disciplines. Methods such as Metropolis-Adjusted Langevin (MALA) and Hamiltonian Monte Carlo (HMC), which use gradient information to explore the target distribution, are popular variants of MCMC. The Sequential Monte Carlo (SMC) sampler is an alternative sampling method which, unlike MCMC, can readily utilise parallel computing architectures and also has tuning parameters not available to MCMC. One such parameter is the L-kernel which can be used to minimise the variance of the estimates from an SMC sampler. In this letter, we show how the proposal used in the No-U-Turn Sampler (NUTS), an advanced variant of HMC, can be incorporated into an SMC sampler to improve the efficiency of the exploration of the target space. We also show how the SMC sampler can be optimized using both a near-optimal L-kernel and a Hamiltonian proposal
Markov Chain Monte Carlo (MCMC) methods are a powerful tool for computation with complex probability distributions. However the performance of such methods is critically dependant on properly tuned parameters, most of which are difficult if not impossible to know a priori for a given target distribution. Adaptive MCMC methods aim to address this by allowing the parameters to be updated during sampling based on previous samples from the chain at the expense of requiring a new theoretical analysis to ensure convergence. In this work we extend the convergence theory of adaptive MCMC methods to a …
The independence sampler is one of the most commonly used MCMC algorithms usually as a component of a Metropolis-within-Gibbs algorithm. The common focus for the independence sampler is on the choice of proposal distribution to obtain an as high as possible acceptance rate. In this paper we have a somewhat different focus concentrating on the use of the independence sampler for updating augmented data in a Bayesian framework where a natural proposal distribution for the independence sampler exists. Thus we concentrate on the proportion of the augmented data to update to optimise the independen…
Statisticians often use Monte Carlo methods to approximate probability distributions, primarily with Markov chain Monte Carlo and importance sampling. Sequential Monte Carlo samplers are a class of algorithms that combine both techniques to approximate distributions of interest and their normalizing constants. These samplers originate from particle filtering for state space models and have become general and scalable sampling techniques. This article describes sequential Monte Carlo samplers and their possible implementations, arguing that they remain under-used in statistics, despite their ab…
By facilitating the generation of samples from arbitrary probability distributions, Markov Chain Monte Carlo (MCMC) is, arguably, \emph{the} tool for the evaluation of Bayesian inference problems that yield non-standard posterior distributions. In recent years, however, it has become apparent that Sequential Monte Carlo (SMC) samplers have the potential to outperform MCMC in a number of ways. SMC samplers are better suited to highly parallel computing architectures and also feature various tuning parameters that are not available to MCMC. One such parameter - the `L-kernel' - is a user-defined…
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 present a sequential Monte Carlo sampler variant of the partial rejection control algorithm, and show that this variant can be considered as a sequential Monte Carlo sampler with a modified mutation kernel. We prove that the new sampler can reduce the variance of the incremental importance weights when compared with standard sequential Monte Carlo samplers. We provide a study of theoretical properties of the new algorithm, and make connections with some existing algorithms. Finally, the sampler is adapted for application under the challenging "likelihood free," approximate Bayesian computat…
Many real-world problems require one to estimate parameters of interest, in a Bayesian framework, from data that are collected sequentially in time. Conventional methods for sampling from posterior distributions, such as {Markov Chain Monte Carlo} can not efficiently address such problems as they do not take advantage of the data's sequential structure. To this end, sequential methods which seek to update the posterior distribution whenever a new collection of data become available are often used to solve these types of problems. Two popular choices of sequential method are the Ensemble Kalman…
Sequential Monte Carlo (SMC) samplers form an attractive alternative to MCMC for Bayesian computation. However, their performance depends strongly on the Markov kernels used to rejuvenate particles. We discuss how to calibrate automatically (using the current particles) Hamiltonian Monte Carlo kernels within SMC. To do so, we build upon the adaptive SMC approach of Fearnhead and Taylor (2013), and we also suggest alternative methods. We illustrate the advantages of using HMC kernels within an SMC sampler via an extensive numerical study.
This paper addresses finite sample stability properties of sequential Monte Carlo methods for approximating sequences of probability distributions. The results presented herein are applicable in the scenario where the start and end distributions in the sequence are fixed and the number of intermediate steps is a parameter of the algorithm. Under assumptions which hold on non-compact spaces, it is shown that the effect of the initial distribution decays exponentially fast in the number of intermediate steps and the corresponding stochastic error is stable in \mathbb{L}_{p} norm.
Redwood Center for theoretical Neuroscience（雷德伍德理论神经科学中心）；Department of Physics（物理系）；University of California Berkeley（加州大学伯克利分校）；Berkeley AI Research（伯克利人工智能研究中心）；Helen Wills Neuroscience Institute（海伦·威尔斯神经科学研究所）
Markov Chain Monte Carlo (MCMC) methods sample from unnormalized probability distributions and offer guarantees of exact sampling. However, in the continuous case, unfavorable geometry of the target distribution can greatly limit the efficiency of MCMC methods. Augmenting samplers with neural networks can potentially improve their efficiency. Previous neural network based samplers were trained with objectives that either did not explicitly encourage exploration, or used a L2 jump objective which could only be applied to well structured distributions. Thus it seems promising to instead maximize…
The likelihood-free sequential Approximate Bayesian Computation (ABC) algorithms, are increasingly popular inference tools for complex biological models. Such algorithms proceed by constructing a succession of probability distributions over the parameter space conditional upon the simulated data lying in an $ε$--ball around the observed data, for decreasing values of the threshold $ε$. While in theory, the distributions (starting from a suitably defined prior) will converge towards the unknown posterior as $ε$ tends to zero, the exact sequence of thresholds can impact upon the computational ef…
In this article we consider the approximation of expectations w.r.t. probability distributions associated to the solution of partial differential equations (PDEs); this scenario appears routinely in Bayesian inverse problems. In practice, one often has to solve the associated PDE numerically, using, for instance finite element methods and leading to a discretisation bias, with the step-size level $h_L$. In addition, the expectation cannot be computed analytically and one often resorts to Monte Carlo methods. In the context of this problem, it is known that the introduction of the multilevel Mo…
In this paper we assume a multivariate risk model has been developed for a portfolio and its capital derived as a homogeneous risk measure. The Euler (or gradient) principle, then, states that the capital to be allocated to each component of the portfolio has to be calculated as an expectation conditional to a rare event, which can be challenging to evaluate in practice. We exploit the copula-dependence within the portfolio risks to design a Sequential Monte Carlo Samplers based estimate to the marginal conditional expectations involved in the problem, showing its efficiency through a series o…
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,…
In this paper, we provide bounds on the asymptotic variance for a class of sequential Monte Carlo (SMC) samplers designed for approximating multimodal distributions. Such methods combine standard SMC methods and Markov chain Monte Carlo (MCMC) kernels. Our bounds improve upon previous results, and unlike some earlier work, they also apply in the case when the MCMC kernels can move between the modes. We apply our results to the Potts model from statistical physics. In this case, the problem of sharp peaks is encountered. Earlier methods, such as parallel tempering, are only able to sample from …
Particle filtering methods are widely applied in sequential state estimation within nonlinear non-Gaussian state space model. However, the traditional particle filtering methods suffer the weight degeneracy in the high-dimensional state space model. Currently, there are many methods to improve the performance of particle filtering in high-dimensional state space model. Among these, the more advanced method is to construct the Sequential Makov chian Monte Carlo (SMCMC) framework by implementing the Composite Metropolis-Hasting (MH) Kernel. In this paper, we proposed to discrete the Zig-Zag Samp…
We present a sequential Monte Carlo sampler algorithm for the Bayesian analysis of generalised linear mixed models (GLMMs). These models support a variety of interesting regression-type analyses, but performing inference is often extremely difficult, even when using the Bayesian approach combined with Markov chain Monte Carlo (MCMC). The Sequential Monte Carlo sampler (SMC) is a new and general method for producing samples from posterior distributions. In this article we demonstrate use of the SMC method for performing inference for GLMMs. We demonstrate the effectiveness of the method on both…
A key limitation of sampling algorithms for approximate inference is that it is difficult to quantify their approximation error. Widely used sampling schemes, such as sequential importance sampling with resampling and Metropolis-Hastings, produce output samples drawn from a distribution that may be far from the target posterior distribution. This paper shows how to upper-bound the symmetric KL divergence between the output distribution of a broad class of sequential Monte Carlo (SMC) samplers and their target posterior distributions, subject to assumptions about the accuracy of a separate gold…
The R package sns implements Stochastic Newton Sampler (SNS), a Metropolis-Hastings Monte Carlo Markov Chain algorithm where the proposal density function is a multivariate Gaussian based on a local, second-order Taylor series expansion of log-density. The mean of the proposal function is the full Newton step in Newton-Raphson optimization algorithm. Taking advantage of the local, multivariate geometry captured in log-density Hessian allows SNS to be more efficient than univariate samplers, approaching independent sampling as the density function increasingly resembles a multivariate Gaussian.…
Multilevel Sequential Monte Carlo Samplers for Normalizing Constants
Center INRIA Bordeaux Sud-Ouest & Institut de Mathematiques de Bordeaux, Universite de Bordeaux I（波尔多南西INRIA中心与波尔多数学研究所，波尔多第一大学）；Department of Statistics & Applied Probability, National University of Singapore（新加坡国立大学统计与应用概率系）；Computer Science and Mathematics Division, Oak Ridge National Laboratory（橡树岭国家实验室计算机科学与数学部）
Probabilistic Computing Project（概率计算项目）；Massachusetts Institute of Technology（麻省理工学院）
Monte Carlo inference has asymptotic guarantees, but can be slow when using generic proposals. Handcrafted proposals that rely on user knowledge about the posterior distribution can be efficient, but are difficult to derive and implement. This paper proposes to let users express their posterior knowledge in the form of proposal programs, which are samplers written in probabilistic programming languages. One strategy for writing good proposal programs is to combine domain-specific heuristic algorithms with neural network models. The heuristics identify high probability regions, and the neural n…
This Chapter, "ABC Samplers", is to appear in the forthcoming Handbook of Approximate Bayesian Computation (2018). It details the main ideas and algorithms used to sample from the ABC approximation to the posterior distribution, including methods based on rejection/importance sampling, MCMC and sequential Monte Carlo.
Improving efficiency of importance sampler is at the center of research in Monte Carlo methods. While adaptive approach is usually difficult within the Markov Chain Monte Carlo framework, the counterpart in importance sampling can be justified and validated easily. We propose an iterative adaptation method for learning the proposal distribution of an importance sampler based on stochastic approximation. The stochastic approximation method can recruit general iterative optimization techniques like the minorization-maximization algorithm. The effectiveness of the approach in optimizing the Kullb…
Over the last decades, various "non-linear" MCMC methods have arisen. While appealing for their convergence speed and efficiency, their practical implementation and theoretical study remain challenging. In this paper, we introduce a non-linear generalization of the Metropolis-Hastings algorithm to a proposal that depends not only on the current state, but also on its law. We propose to simulate this dynamics as the mean field limit of a system of interacting particles, that can in turn itself be understood as a generalisation of the Metropolis-Hastings algorithm to a population of particles. U…
We present the simplicial sampler, a class of parallel MCMC methods that generate and choose from multiple proposals at each iteration. The algorithm's multiproposal randomly rotates a simplex connected to the current Markov chain state in a way that inherently preserves symmetry between proposals. As a result, the simplicial sampler leads to a simplified acceptance step: it simply chooses from among the simplex nodes with probability proportional to their target density values. We also investigate a multivariate Gaussian-based symmetric multiproposal mechanism and prove that it also enjoys th…
A standard way to move particles in a SMC sampler is to apply several steps of a MCMC (Markov chain Monte Carlo) kernel. Unfortunately, it is not clear how many steps need to be performed for optimal performance. In addition, the output of the intermediate steps are discarded and thus wasted somehow. We propose a new, waste-free SMC algorithm which uses the outputs of all these intermediate MCMC steps as particles. We establish that its output is consistent and asymptotically normal. We use the expression of the asymptotic variance to develop various insights on how to implement the algorithm …
Incorporating the ChEES Criterion into Sequential Monte Carlo Samplers
Dept. of EEE, University of Liverpool, United Kingdom（电子工程系，利物浦大学，英国）；Intelligent Sensor-Actuator-Systems Laboratory (ISAS), Karlsruhe Institute of Technology, Germany（智能传感器-执行器系统实验室（ISAS），卡尔斯鲁厄理工学院，德国）
In a recent paper Beskos et al (2011), the Sequential Monte Carlo (SMC) sampler introduced in Del Moral et al (2006), Neal (2001) has been shown to be asymptotically stable in the dimension of the state space d at a cost that is only polynomial in d, when N the number of Monte Carlo samples, is fixed. More precisely, it has been established that the effective sample size (ESS) of the ensuing (approximate) sample and the Monte Carlo error of fixed dimensional marginals will converge as $d$ grows, with a computational cost of $\mathcal{O}(Nd^2)$. In the present work, further results on SMC metho…
We investigate nonlinear state-space models without a closed-form transition density, and propose reformulating such models over their latent noise variables rather than their latent state variables. In doing so the tractable noise density emerges in place of the intractable transition density. For importance sampling methods such as the auxiliary particle filter, this enables importance weights to be computed where they could not be otherwise. As case studies we take two multivariate marine biogeochemical models and perform state and parameter estimation using the particle marginal Metropolis…
Northeastern University（东北大学）；Massachusetts Institute of Technology（麻省理工学院）
We develop amortized population Gibbs (APG) samplers, a class of scalable methods that frames structured variational inference as adaptive importance sampling. APG samplers construct high-dimensional proposals by iterating over updates to lower-dimensional blocks of variables. We train each conditional proposal by minimizing the inclusive KL divergence with respect to the conditional posterior. To appropriately account for the size of the input data, we develop a new parameterization in terms of neural sufficient statistics. Experiments show that APG samplers can train highly structured deep g…
In this article we develop a new sequential Monte Carlo (SMC) method for multilevel (ML) Monte Carlo estimation. In particular, the method can be used to estimate expectations with respect to a target probability distribution over an infinite-dimensional and non-compact space as given, for example, by a Bayesian inverse problem with Gaussian random field prior. Under suitable assumptions the MLSMC method has the optimal $O(ε^{-2})$ bound on the cost to obtain a mean-square error of $O(ε^2)$. The algorithm is accelerated by dimension-independent likelihood-informed (DILI) proposals designed for…
We consider various versions of adaptive Gibbs and Metropolis-within-Gibbs samplers, which update their selection probabilities (and perhaps also their proposal distributions) on the fly during a run by learning as they go in an attempt to optimize the algorithm. We present a cautionary example of how even a simple-seeming adaptive Gibbs sampler may fail to converge. We then present various positive results guaranteeing convergence of adaptive Gibbs samplers under certain conditions.
Adaptive importance samplers are adaptive Monte Carlo algorithms to estimate expectations with respect to some target distribution which \textit{adapt} themselves to obtain better estimators over a sequence of iterations. Although it is straightforward to show that they have the same $\mathcal{O}(1/\sqrt{N})$ convergence rate as standard importance samplers, where $N$ is the number of Monte Carlo samples, the behaviour of adaptive importance samplers over the number of iterations has been left relatively unexplored. In this work, we investigate an adaptation strategy based on convex optimisati…
State space models (SSM) have been widely applied for the analysis and visualization of large sequential datasets. Sequential Monte Carlo (SMC) is a very popular particle-based method to sample latent states from intractable posteriors. However, SSM is significantly influenced by the choice of the proposal. Recently Hamiltonian Monte Carlo (HMC) sampling has shown success in many practical problems. In this paper, we propose an SMC augmented by HMC (HSMC) for inference and model learning of nonlinear SSM, which can exempt us from learning proposals and reduce the model complexity significantly…
In many real-world engineering systems, the performance or reliability of the system is characterised by a scalar parameter. The distribution of this performance parameter is important in many uncertainty quantification problems, ranging from risk management to utility optimisation. In practice, this distribution usually cannot be derived analytically and has to be obtained numerically by simulations. To this end, standard Monte Carlo simulations are often used, however, they cannot efficiently reconstruct the tail of the distribution which is essential in many applications. One possible remed…
We propose a new class of interacting Markov chain Monte Carlo (MCMC) algorithms designed for increasing the efficiency of a modified multiple-try Metropolis (MTM) algorithm. The extension with respect to the existing MCMC literature is twofold. The sampler proposed extends the basic MTM algorithm by allowing different proposal distributions in the multiple-try generation step. We exploit the structure of the MTM algorithm with different proposal distributions to naturally introduce an interacting MTM mechanism (IMTM) that expands the class of population Monte Carlo methods. We show the validi…
MCMC using $\textit{bouncy}$ Hamiltonian dynamics: A unifying framework for Hamiltonian Monte Carlo and piecewise deterministic Markov process samplers
Given the complexity of modern cosmological parameter inference where we are faced with non-Gaussian data and noise, correlated systematics and multi-probe correlated data sets, the Approximate Bayesian Computation (ABC) method is a promising alternative to traditional Markov Chain Monte Carlo approaches in the case where the Likelihood is intractable or unknown. The ABC method is called "Likelihood free" as it avoids explicit evaluation of the Likelihood by using a forward model simulation of the data which can include systematics. We introduce astroABC, an open source ABC Sequential Monte Ca…
We develop operators for construction of proposals in probabilistic programs, which we refer to as inference combinators. Inference combinators define a grammar over importance samplers that compose primitive operations such as application of a transition kernel and importance resampling. Proposals in these samplers can be parameterized using neural networks, which in turn can be trained by optimizing variational objectives. The result is a framework for user-programmable variational methods that are correct by construction and can be tailored to specific models. We demonstrate the flexibility…
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…
When sampling a multi-modal distribution $π(x)$, $x\in \rr^d$, a Markov chain with local proposals is often slowly mixing; while a Small-World sampler \citep{guankrone} -- a Markov chain that uses a mixture of local and long-range proposals -- is fast mixing. However, a Small-World sampler suffers from the curse of dimensionality because its spectral gap depends on the volume of each mode. We present a new sampler that combines tempering, Small-World sampling, and producing long-range proposals from samples in companion chains (e.g. Equi-Energy sampler). In its simplest form the sampler employ…
Markov Chain Monte Carlo (MCMC) is a well-established family of algorithms which are primarily used in Bayesian statistics to sample from a target distribution when direct sampling is challenging. Single instances of MCMC methods are widely considered hard to parallelise in a problem-agnostic fashion and hence, unsuitable to meet both constraints of high accuracy and high throughput. Sequential Monte Carlo (SMC) Samplers can address the same problem, but are parallelisable: they share with Particle Filters the same key tasks and bottleneck. Although a rich literature already exists on MCMC met…
We introduce a general framework that constructs estimators with reduced variance for random walk Metropolis and Metropolis-adjusted Langevin algorithms. The resulting estimators require negligible computational cost and are derived in a post-process manner utilising all proposal values of the Metropolis algorithms. Variance reduction is achieved by producing control variates through the approximate solution of the Poisson equation associated with the target density of the Markov chain. The proposed method is based on approximating the target density with a Gaussian and then utilising accurate…
We propose a restricted collapsed draw (RCD) sampler, a general Markov chain Monte Carlo sampler of simultaneous draws from a hierarchical Chinese restaurant process (HCRP) with restriction. Models that require simultaneous draws from a hierarchical Dirichlet process with restriction, such as infinite Hidden markov models (iHMM), were difficult to enjoy benefits of \markerg{the} HCRP due to combinatorial explosion in calculating distributions of coupled draws. By constructing a proposal of seating arrangements (partitioning) and stochastically accepts the proposal by the Metropolis-Hastings al…
