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We introduce a new method to accurately and efficiently estimate the effective dynamics of collective variables in molecular simulations. Such reduced dynamics play an essential role in the study of a broad class of processes, ranging from…

Statistical Mechanics · Physics 2022-03-28 Hadrien Vroylandt , Ludovic Goudenège , Pierre Monmarché , Fabio Pietrucci , Benjamin Rotenberg

We propose an algorithm for the efficient and robust sampling of the posterior probability distribution in Bayesian inference problems. The algorithm combines the local search capabilities of the Manifold Metropolis Adjusted Langevin…

We consider the optimal scaling problem for high-dimensional random walk Metropolis (RWM) algorithms where the target distribution has a discontinuous probability density function. Almost all previous analysis has focused upon continuous…

Probability · Mathematics 2012-10-19 Peter Neal , Gareth Roberts , Wai Kong Yuen

The purpose of this paper is to introduce a new Markov chain Monte Carlo method and exhibit its efficiency by simulation and high-dimensional asymptotic theory. Key fact is that our algorithm has a reversible proposal transition kernel,…

Methodology · Statistics 2014-12-22 Kengo Kamatani

The Metropolis Hastings algorithm and its multi-proposal extensions are aimed at the computation of the expectation $<\pi,f>$ of a function $f$ under a probability measure $\pi$ difficult to simulate. They consist in constructing by an…

Probability · Mathematics 2009-02-20 Jean-François Delmas , Benjamin Jourdain

In this work, we present, analyze, and implement a class of Multi-Level Markov chain Monte Carlo (ML-MCMC) algorithms based on independent Metropolis-Hastings proposals for Bayesian inverse problems. In this context, the likelihood function…

Numerical Analysis · Mathematics 2021-05-06 Juan Pablo Madrigal-Cianci , Fabio Nobile , Raul Tempone

We consider distributed estimation of the inverse covariance matrix, also called the concentration or precision matrix, in Gaussian graphical models. Traditional centralized estimation often requires global inference of the covariance…

Machine Learning · Statistics 2015-06-15 Zhaoshi Meng , Dennis Wei , Ami Wiesel , Alfred O. Hero

We introduce a new property of Markov chains, called variance bounding. We prove that, for reversible chains at least, variance bounding is weaker than, but closely related to, geometric ergodicity. Furthermore, variance bounding is…

Probability · Mathematics 2008-12-18 Gareth O. Roberts , Jeffrey S. Rosenthal

Traditional methods for unsupervised learning of finite mixture models require to evaluate the likelihood of all components of the mixture. This becomes computationally prohibitive when the number of components is large, as it is, for…

Machine Learning · Computer Science 2021-10-12 Milan Papež , Tomáš Pevný , Václav Šmídl

The Monte Carlo within Metropolis (MCwM) algorithm, interpreted as a perturbed Metropolis-Hastings (MH) algorithm, provides an approach for approximate sampling when the target distribution is intractable. Assuming the unperturbed Markov…

Computation · Statistics 2019-07-31 Felipe Medina-Aguayo , Daniel Rudolf , Nikolaus Schweizer

Federated learning performed by a decentralized networks of agents is becoming increasingly important with the prevalence of embedded software on autonomous devices. Bayesian approaches to learning benefit from offering more information as…

Machine Learning · Computer Science 2021-07-16 Vyacheslav Kungurtsev , Adam Cobb , Tara Javidi , Brian Jalaian

We study sampling as optimization in the space of measures. We focus on gradient flow-based optimization with the Langevin dynamics as a case study. We investigate the source of the bias of the unadjusted Langevin algorithm (ULA) in…

Optimization and Control · Mathematics 2018-06-08 Andre Wibisono

We propose a new method called the N-particle underdamped Langevin algorithm for optimizing a special class of non-linear functionals defined over the space of probability measures. Examples of problems with this formulation include…

Computation · Statistics 2024-02-07 Qiang Fu , Ashia Wilson

We consider Bayesian inference for image deblurring with total variation (TV) prior. Since the posterior is analytically intractable, we resort to Markov chain Monte Carlo (MCMC) methods. However, since most MCMC methods significantly…

Numerical Analysis · Mathematics 2025-03-13 Rafael Flock , Shuigen Liu , Yiqiu Dong , Xin T. Tong

We propose a new sampling algorithm combining two quite powerful ideas in the Markov chain Monte Carlo literature -- adaptive Metropolis sampler and two-stage Metropolis-Hastings sampler. The proposed sampling method will be particularly…

Computation · Statistics 2021-01-05 Anirban Mondal , Kai Yin , Abhijit Mandal

We consider a classical model of non-equilibrium statistical mechanics accounting for non-Markovian effects, which is referred to as the Generalized Langevin Equation in the literature. We derive reduced Markovian descriptions obtained…

Statistical Mechanics · Physics 2024-05-28 Matteo Colangeli , Manh Hong Duong , Adrian Muntean

Metropolis algorithms are classical tools for sampling from target distributions, with broad applications in statistics and scientific computing. Their convergence speed is governed by the spectral gap of the associated Markov operator.…

Probability · Mathematics 2026-04-13 Shuigen Liu , Xin T. Tong

Gradient-based Markov Chain Monte Carlo methods have recently received much attention for sampling discrete distributions, with notable examples such as Norm Constrained Gradient (NCG), Auxiliary Variable Gradient (AVG), and Discrete…

Methodology · Statistics 2025-08-04 Yuze Zhou , Zhiqiang Tan

Stochastic Gradient Langevin Dynamics (SGLD) is a powerful algorithm for optimizing a non-convex objective, where a controlled and properly scaled Gaussian noise is added to the stochastic gradients to steer the iterates towards a global…

Optimization and Control · Mathematics 2020-06-04 Yuanhan Hu , Xiaoyu Wang , Xuefeng Gao , Mert Gurbuzbalaban , Lingjiong Zhu

I show how Markov chain sampling with the Metropolis-Hastings algorithm can be modified so as to take bigger steps when the distribution being sampled from has the characteristic that its density can be quickly recomputed for a new point if…

Statistics Theory · Mathematics 2007-06-13 Radford M. Neal
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