We show that Markov couplings can be used to improve the accuracy of Markov chain Monte Carlo calculations in some situations where the steady-state probability distribution is not explicitly known. The technique generalizes the notion of control variates from classical Monte Carlo integration. We illustrate it using two models of nonequilibrium transport.
We study control variate methods for Markov chain Monte Carlo (MCMC) in the setting of deterministic sweep sampling using $K\geq 2$ transition kernels. New variance reduction results are provided for MCMC averages based on sweeps over general transition kernels, leading to a particularly simple control variate estimator in the setting of deterministic sweep Gibbs sampling. Theoretical comparisons of our proposed control variate estimators with existing literature are made, and a simulation study is performed to examine the amount of variance reduction in some example cases. We also relate cont…
It is well known that Monte Carlo integration with variance reduction by means of control variates can be implemented by the ordinary least squares estimator for the intercept in a multiple linear regression model. A central limit theorem is established for the integration error if the number of control variates tends to infinity. The integration error is scaled by the standard deviation of the error term in the regression model. If the linear span of the control variates is dense in a function space that contains the integrand, the integration error tends to zero at a rate which is faster tha…
Monte Carlo integration with variance reduction by means of control variates can be implemented by the ordinary least squares estimator for the intercept in a multiple linear regression model with the integrand as response and the control variates as covariates. Even without special knowledge on the integrand, significant efficiency gains can be obtained if the control variate space is sufficiently large. Incorporating a large number of control variates in the ordinary least squares procedure may however result in (i) a certain instability of the ordinary least squares estimator and (ii) a pos…
In this paper we present a new approach to control variates for improving computational efficiency of Ensemble Monte Carlo. We present the approach using simulation of paths of a time-dependent nonlinear stochastic equation. The core idea is to extract information at one or more nominal model parameters and use this information to gain estimation efficiency at neighboring parameters. This idea is the basis of a general strategy, called DataBase Monte Carlo (DBMC), for improving efficiency of Monte Carlo. In this paper we describe how this strategy can be implemented using the variance reductio…
Markov chain Monte Carlo is a widely-used technique for generating a dependent sequence of samples from complex distributions. Conventionally, these methods require a source of independent random variates. Most implementations use pseudo-random numbers instead because generating true independent variates with a physical system is not straightforward. In this paper we show how to modify some commonly used Markov chains to use a dependent stream of random numbers in place of independent uniform variates. The resulting Markov chains have the correct invariant distribution without requiring detail…
Duke University（杜克大学）；Newcastle University（纽卡斯尔大学）；Imperial College London（伦敦帝国学院）；University College London（伦敦大学学院）
Control variates are a well-established tool to reduce the variance of Monte Carlo estimators. However, for large-scale problems including high-dimensional and large-sample settings, their advantages can be outweighed by a substantial computational cost. This paper considers control variates based on Stein operators, presenting a framework that encompasses and generalizes existing approaches that use polynomials, kernels and neural networks. A learning strategy based on minimising a variational objective through stochastic optimization is proposed, leading to scalable and effective control var…
Multilevel Monte Carlo (MLMC) is a recently proposed variation of Monte Carlo (MC) simulation that achieves variance reduction by simulating the governing equations on a series of spatial (or temporal) grids with increasing resolution. Instead of directly employing the fine grid solutions, MLMC estimates the expectation of the quantity of interest from the coarsest grid solutions as well as differences between each two consecutive grid solutions. When the differences corresponding to finer grids become smaller, hence less variable, fewer MC realizations of finer grid solutions are needed to co…
Monte Carlo (MC) sampling algorithms are an extremely widely-used technique to estimate expectations of functions f(x), especially in high dimensions. Control variates are a very powerful technique to reduce the error of such estimates, but in their conventional form rely on having an accurate approximation of f, a priori. Stacked Monte Carlo (StackMC) is a recently introduced technique designed to overcome this limitation by fitting a control variate to the data samples themselves. Done naively, forming a control variate to the data would result in overfitting, typically worsening the MC algo…
We introduce a method for non-uniform random number generation based on sampling a physical process in a controlled environment. We demonstrate one proof-of-concept implementation of the method that reduces the error of Monte Carlo integration of a univariate Gaussian by 1068 times while doubling the speed of the Monte Carlo simulation. We show that the supply voltage and temperature of the physical process must be controlled to prevent the mean and standard deviation of the random number generator from drifting.
Multi-model Monte Carlo methods, such as multi-level Monte Carlo (MLMC) and multifidelity Monte Carlo (MFMC), allow for efficient estimation of the expectation of a quantity of interest given a set of models of varying fidelities. Recently, it was shown that the MLMC and MFMC estimators are both instances of the approximate control variates (ACV) framework [Gorodetsky et al. 2020]. In that same work, it was also shown that hand-tailored ACV estimators could outperform MLMC and MFMC for a variety of model scenarios. Because there is no reason to believe that these hand-tailored estimators are t…
Peking University（北京大学）；University of Lincoln（林肯大学）；Baidu Inc.（百度公司）；Beijing Institute of Big Data Research（北京大数据研究院）
In statistics and machine learning, approximation of an intractable integration is often achieved by using the unbiased Monte Carlo estimator, but the variances of the estimation are generally high in many applications. Control variates approaches are well-known to reduce the variance of the estimation. These control variates are typically constructed by employing predefined parametric functions or polynomials, determined by using those samples drawn from the relevant distributions. Instead, we propose to construct those control variates by learning neural networks to handle the cases when tes…
Markov chain Monte Carlo samplers produce dependent streams of variates drawn from the limiting distribution of the Markov chain. With this as motivation, we introduce novel univariate kernel density estimators which are appropriate for the stationary sequences of dependent variates. We modify the asymptotic mean integrated squared error criterion to account for dependence and find that the modified criterion suggests data-driven adjustments to standard bandwidth selection methods. Simulation studies show that our proposed methods find bandwidths close to the optimal value while standard metho…
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…
Monte Carlo estimation in plays a crucial role in stochastic reaction networks. However, reducing the statistical uncertainty of the corresponding estimators requires sampling a large number of trajectories. We propose control variates based on the statistical moments of the process to reduce the estimators' variances. We develop an algorithm that selects an efficient subset of infinitely many control variates. To this end, the algorithm uses resampling and a redundancy-aware greedy selection. We demonstrate the efficiency of our approach in several case studies.
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…
We propose cube thinning, a novel method for compressing the output of a MCMC (Markov chain Monte Carlo) algorithm when control variates are available. It amounts to resampling the initial MCMC sample (according to weights derived from control variates), while imposing equality constraints on averages of these control variates, using the cube method of \cite{Deville2004}. Its main advantage is that its CPU cost is linear in $N$, the original sample size, and is constant in $M$, the required size for the compressed sample. This compares favourably to Stein thinning \citep{Riabiz2020}, which has…
The recent growth in multi-fidelity uncertainty quantification has given rise to a large set of variance reduction techniques that leverage information from model ensembles to provide variance reduction for estimates of the statistics of a high-fidelity model. In this paper we provide two contributions: (1) we utilize an ensemble estimator to account for uncertainties in the optimal weights of approximate control variate (ACV) approaches and derive lower bounds on the number of samples required to guarantee variance reduction; and (2) we extend an existing multi-fidelity importance sampling (M…
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…
Zero-variance control variates (ZV-CV) are a post-processing method to reduce the variance of Monte Carlo estimators of expectations using the derivatives of the log target. Once the derivatives are available, the only additional computational effort lies in solving a linear regression problem. Significant variance reductions have been achieved with this method in low dimensional examples, but the number of covariates in the regression rapidly increases with the dimension of the target. In this paper, we present compelling empirical evidence that the use of penalized regression techniques in t…
A non-parametric extension of control variates is presented. These leverage gradient information on the sampling density to achieve substantial variance reduction. It is not required that the sampling density be normalised. The novel contribution of this work is based on two important insights; (i) a trade-off between random sampling and deterministic approximation and (ii) a new gradient-based function space derived from Stein's identity. Unlike classical control variates, our estimators achieve super-root-$n$ convergence, often requiring orders of magnitude fewer simulations to achieve a fix…
Small-noise analysis and symmetrization of implicit Monte Carlo samplers
University of Arizona（亚利桑那大学）；University of California at Berkeley（加州大学伯克利分校）；Lawrence Berkeley National Laboratory（劳伦斯伯克利国家实验室）；Courant Institute of Mathematical Sciences, New York University（纽约大学柯朗数学科学研究所）
Policy gradient methods have demonstrated success in reinforcement learning tasks that have high-dimensional continuous state and action spaces. However, policy gradient methods are also notoriously sample inefficient. This can be attributed, at least in part, to the high variance in estimating the gradient of the task objective with Monte Carlo methods. Previous research has endeavored to contend with this problem by studying control variates (CVs) that can reduce the variance of estimates without introducing bias, including the early use of baselines, state dependent CVs, and the more recent…
In this paper we develop numerical pricing methodologies for European style Exchange Options written on a pair of correlated assets, in a market with finite liquidity. In contrast to the standard multi-asset Black-Scholes framework, trading in our market model has a direct impact on the asset's price. The price impact is incorporated into the dynamics of the first asset through a specific trading strategy, as in large trader liquidity model. Two-dimensional Milstein scheme is implemented to simulate the pair of assets prices. The option value is numerically estimated by Monte Carlo with the Ma…
The recently proposed L-lag coupling for unbiased Markov chain Monte Carlo (MCMC) calls for a joint celebration by MCMC practitioners and theoreticians. For practitioners, it circumvents the thorny issue of deciding the burn-in period or when to terminate an MCMC sampling process, and opens the door for safe parallel implementation. For theoreticians, it provides a powerful tool to establish elegant and easily estimable bounds on the exact error of an MCMC approximation at any finite number of iterates. A serendipitous observation about the bias-correcting term leads us to introduce naturally …
Columbia University（哥伦比亚大学）；Google Robotics（谷歌机器人）；Fero Labs（费罗实验室）
Evolution Strategies (ES) are a powerful class of blackbox optimization techniques that recently became a competitive alternative to state-of-the-art policy gradient (PG) algorithms for reinforcement learning (RL). We propose a new method for improving accuracy of the ES algorithms, that as opposed to recent approaches utilizing only Monte Carlo structure of the gradient estimator, takes advantage of the underlying MDP structure to reduce the variance. We observe that the gradient estimator of the ES objective can be alternatively computed using reparametrization and PG estimators, which leads…
Multi-step temporal difference (TD) learning is an important approach in reinforcement learning, as it unifies one-step TD learning with Monte Carlo methods in a way where intermediate algorithms can outperform either extreme. They address a bias-variance trade off between reliance on current estimates, which could be poor, and incorporating longer sampled reward sequences into the updates. Especially in the off-policy setting, where the agent aims to learn about a policy different from the one generating its behaviour, the variance in the updates can cause learning to diverge as the number of…
Three-way data structures, characterized by three entities, the units, the variables and the occasions, are frequent in biological studies. In RNA sequencing, three-way data structures are obtained when high-throughput transcriptome sequencing data are collected for $n$ genes across $p$ conditions at $r$ occasions. Matrix variate distributions offer a natural way to model three-way data and mixtures of matrix variate distributions can be used to cluster three-way data. Clustering of gene expression data is carried out as means of discovering gene co-expression networks. In this work, a mixture…
Télécom Paris（巴黎电信学院）；Institut Polytechnique de Paris（巴黎理工学院）；CREST（经济与统计研究中心）；ENSAI（法国国立统计与信息分析学院）；UCLouvain（鲁汶天主教大学）
Driven by several successful applications such as in stochastic gradient descent or in Bayesian computation, control variates have become a major tool for Monte Carlo integration. However, standard methods do not allow the distribution of the particles to evolve during the algorithm, as is the case in sequential simulation methods. Within the standard adaptive importance sampling framework, a simple weighted least squares approach is proposed to improve the procedure with control variates. The procedure takes the form of a quadrature rule with adapted quadrature weights to reflect the informat…
We propose neural control variates (NCV) for unbiased variance reduction in parametric Monte Carlo integration. So far, the core challenge of applying the method of control variates has been finding a good approximation of the integrand that is cheap to integrate. We show that a set of neural networks can face that challenge: a normalizing flow that approximates the shape of the integrand and another neural network that infers the solution of the integral equation. We also propose to leverage a neural importance sampler to estimate the difference between the original integrand and the learned …
The probability density function (PDF) and cumulative distribution function of the sum of L independent but not necessarily identically distributed squared η-μvariates, applicable to the output statistics of maximal ratio combining (MRC) receiver operating over η-μfading channels that includes the Hoyt and the Nakagami-m models as special cases, is presented in closed-form in terms of the Fox's H-bar function. Further analysis, particularly on the bit error rate via PDF-based approach, is also represented in closed form in terms of the extended Fox's H-bar function (H-hat). The proposed new an…
Uncertainty quantification (UQ) includes the characterization, integration, and propagation of uncertainties that result from stochastic variations and a lack of knowledge or data in the natural world. Monte Carlo (MC) method is a sampling-based approach that has widely used for quantification and propagation of uncertainties. However, the standard MC method is often time-consuming if the simulation-based model is computationally intensive. This article gives an overview of modern MC methods to address the existing challenges of the standard MC in the context of UQ. Specifically, multilevel Mo…
We describe and analyze a variance reduction approach for Monte Carlo (MC) sampling that accelerates the estimation of statistics of computationally expensive simulation models using an ensemble of models with lower cost. These lower cost models --- which are typically lower fidelity with unknown statistics --- are used to reduce the variance in statistical estimators relative to a MC estimator with equivalent cost. We derive the conditions under which our proposed approximate control variate framework recovers existing multi-model variance reduction schemes as special cases. We demonstrate th…
In this paper we propose a novel variance reduction approach for additive functionals of Markov chains based on minimization of an estimate for the asymptotic variance of these functionals over suitable classes of control variates. A distinctive feature of the proposed approach is its ability to significantly reduce the overall finite sample variance. This feature is theoretically demonstrated by means of a deep non asymptotic analysis of a variance reduced functional as well as by a thorough simulation study. In particular we apply our method to various MCMC Bayesian estimation problems where…
We introduce a novel time-homogeneous Markov embedding of a class of time inhomogeneous Markov chains widely used in the context of Monte Carlo sampling algorithms which allows us to answer one of the most basic, yet hard, question about the practical implementation of these techniques. We also show that this embedding sheds some light on the recent result of [#maire-douc-olsson2013]. We discuss further applications of the technique.
Many popular statistical models for complex phenomena are intractable, in the sense that the likelihood function cannot easily be evaluated. Bayesian estimation in this setting remains challenging, with a lack of computational methodology to fully exploit modern processing capabilities. In this paper we introduce novel control variates for intractable likelihoods that can dramatically reduce the Monte Carlo variance of Bayesian estimators. We prove that our control variates are well-defined and provide a positive variance reduction. Furthermore we show how to optimise these control variates fo…
We introduce a new method for hardware non-uniform random number generation based on the transfer characteristics of graphene field-effect transistors (GFETs) which requires as few as two transistors and a resistor (or transimpedance amplifier). The method could be integrated into a custom computing system to provide samples from arbitrary univariate distributions. We also demonstrate the use of wavelet decomposition of the target distribution to determine GFET bias voltages in a multi-GFET array. We implement the method by fabricating multiple GFETs and experimentally validating that their tr…
Recent work incorporating geometric ideas in Markov chain Monte Carlo is reviewed in order to highlight these advances and their possible application in a range of domains beyond Statistics. A full exposition of Markov chains and their use in Monte Carlo simulation for Statistical inference and molecular dynamics is provided, with particular emphasis on methods based on Langevin diffusions. After this geometric concepts in Markov chain Monte Carlo are introduced. A full derivation of the Langevin diffusion on a Riemannian manifold is given, together with a discussion of appropriate Riemannian …
The aim of this work is to give an introduction to the theoretical background and computational complexity of Markov chain Monte Carlo methods. Most of the mathematical results related to the convergence are not found in most of the statistical references, and computational complexity is still an open question for most of the MCMC methods. In this work, we provide a general overview, references, and discussion about all these theoretical subjects.
We present a hybrid sampling-surrogate approach for reducing the computational expense of uncertainty quantification in nonlinear dynamical systems. Our motivation is to enable rapid uncertainty quantification in complex mechanical systems such as automotive propulsion systems. Our approach is to build upon ideas from multifidelity uncertainty quantification to leverage the benefits of both sampling and surrogate modeling, while mitigating their downsides. In particular, the surrogate model is selected to exploit problem structure, such as smoothness, and offers a highly correlated information…
