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Langevin algorithms are gradient descent methods with additive noise. They have been used for decades in Markov chain Monte Carlo (MCMC) sampling, optimization, and learning. Their convergence properties for unconstrained non-convex…

Machine Learning · Computer Science 2020-12-23 Andrew Lamperski

Manifold Markov chain Monte Carlo algorithms have been introduced to sample more effectively from challenging target densities exhibiting multiple modes or strong correlations. Such algorithms exploit the local geometry of the parameter…

Machine Learning · Statistics 2021-05-11 Theodore Papamarkou , Alexey Lindo , Eric B. Ford

Diffusion-based models on continuous spaces have seen substantial recent progress through the mathematical framework of gradient flows, leveraging the Wasserstein-2 (${W}_2$) metric via the Jordan-Kinderlehrer-Otto (JKO) scheme. Despite the…

Machine Learning · Computer Science 2026-04-14 Dario Rancati , Jan Maas , Francesco Locatello

We develop a framework that allows the use of the multi-level Monte Carlo (MLMC) methodology (Giles2015) to calculate expectations with respect to the invariant measure of an ergodic SDE. In that context, we study the (over-damped) Langevin…

Numerical Analysis · Mathematics 2019-08-13 Michael B. Giles , Mateusz B. Majka , Lukasz Szpruch , Sebastian Vollmer , Konstantinos Zygalakis

In this article we consider static Bayesian parameter estimation for partially observed diffusions that are discretely observed. We work under the assumption that one must resort to discretizing the underlying diffusion process, for…

Computation · Statistics 2017-01-23 Ajay Jasra , Kengo Kamatani , Kody J. H. Law , Yan Zhou

Markov chain Monte Carlo (MCMC) algorithms are indispensable when sampling from a complex, high-dimensional distribution by a conventional method is intractable. Even though MCMC is a powerful tool, it is also hard to control and tune in…

Graphics · Computer Science 2025-10-14 Sascha Holl , Gurprit Singh , Hans-Peter Seidel

Sampling from a high-dimensional probability distribution is a fundamental algorithmic task arising in wide-ranging applications across multiple disciplines, including scientific computing, computational statistics and machine learning.…

Statistics Theory · Mathematics 2026-05-11 Bin Yang , Xiaojie Wang

Sampling occupies an important position in theories of various scientific fields, and Markov chain Monte Carlo (MCMC) provides the most common technique of sampling. In the progress of MCMC, a huge number of studies have aimed the…

Statistical Mechanics · Physics 2021-07-20 Akihisa Ichiki , Masayuki Ohzeki

The recently developed linear combination of atomic potentials (LCAP) approach [M.Wang et al., J. Am. Chem. Soc., 128, 3228 (2006)] allows continuous optimization in discrete chemical space and thus is quite useful in the design of…

Chemical Physics · Physics 2009-11-13 Xiangqian Hu , David N. Beratan , Weitao Yang

Stochastic gradient Markov chain Monte Carlo (MCMC) algorithms have received much attention in Bayesian computing for big data problems, but they are only applicable to a small class of problems for which the parameter space has a fixed…

Computation · Statistics 2020-02-10 Qifan Song , Yan Sun , Mao Ye , Faming Liang

In Bayesian inference, Hamiltonian Monte Carlo (HMC) is a popular Markov Chain Monte Carlo (MCMC) algorithm known for its efficiency in sampling from complex probability distributions. However, its application to models with latent…

Computation · Statistics 2025-04-15 Alaa Amri , Víctor Elvira , Amy L. Wilson

Many problems in the physical sciences, machine learning, and statistical inference necessitate sampling from a high-dimensional, multi-modal probability distribution. Markov Chain Monte Carlo (MCMC) algorithms, the ubiquitous tool for this…

Data Analysis, Statistics and Probability · Physics 2022-05-12 Marylou Gabrié , Grant M. Rotskoff , Eric Vanden-Eijnden

There is a lack of methodological results to design efficient Markov chain Monte Carlo (MCMC) algorithms for statistical models with discrete-valued high-dimensional parameters. Motivated by this consideration, we propose a simple framework…

Computation · Statistics 2017-11-21 Giacomo Zanella

Sampling from a target distribution is a fundamental problem. Traditional Markov chain Monte Carlo (MCMC) algorithms, such as the unadjusted Langevin algorithm (ULA), derived from the overdamped Langevin dynamics, have been extensively…

Optimization and Control · Mathematics 2024-10-29 Xinzhe Zuo , Stanley Osher , Wuchen Li

We study the implicit Langevin Monte Carlo (iLMC) method, which simulates the overdamped Langevin equation via an implicit iteration rule. In many applications, iLMC is favored over other explicit schemes such as the (explicit) Langevin…

Numerical Analysis · Mathematics 2025-11-07 Lei Li , Jian-Guo Liu , Yuliang Wang

As sample sizes grow, scalability has become a central concern in the development of Markov chain Monte Carlo (MCMC) methods. One general approach to this problem, exemplified by the popular stochastic gradient Langevin dynamics (SGLD)…

Computation · Statistics 2024-12-04 Natesh S. Pillai , Aaron Smith , Azeem Zaman

Monte Carlo simulations are widely used to simulate complex molecular systems, but standard approaches suffer from metastability. Lately, the use of non-local proposal updates in a collective-variable (CV) space has been proposed in several…

Statistical Mechanics · Physics 2026-04-20 Christoph Schönle , Davide Carbone , Marylou Gabrié , Tony Lelièvre , Gabriel Stoltz

Particle methods based on evolving the spatial derivatives of the solution were originally introduced to simulate reaction-diffusion processes, inspired by vortex methods for the Navier--Stokes equations. Such methods, referred to as…

Numerical Analysis · Mathematics 2025-01-24 Giulia Bertaglia , Lorenzo Pareschi , Russel E. Caflisch

The randomized midpoint Langevin Monte Carlo (RLMC), introduced by Shen and Lee (2019), is a variant of classical Unadjusted Langevin Algorithm. It was shown in the literature that the RLMC is an efficient algorithm for approximating…

Statistics Theory · Mathematics 2025-11-18 Ruinan Li , Tian Shen , Zhonggen Su

We propose a new computationally efficient sampling scheme for Bayesian inference involving high dimensional probability distributions. Our method maps the original parameter space into a low-dimensional latent space, explores the latent…

Computation · Statistics 2019-10-15 Babak Shahbaba , Luis Martinez Lomeli , Tian Chen , Shiwei Lan