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In this paper we propose a new approach for sampling from probability measures in, possibly, high dimensional spaces. By perturbing the standard overdamped Langevin dynamics by a suitable Stratonovich perturbation that preserves the…

Numerical Analysis · Mathematics 2019-04-23 Assyr Abdulle , Grigorios A. Pavliotis , Gilles Vilmart

We study the underdamped Langevin diffusion when the log of the target distribution is smooth and strongly concave. We present a MCMC algorithm based on its discretization and show that it achieves $\varepsilon$ error (in 2-Wasserstein…

Machine Learning · Statistics 2018-01-30 Xiang Cheng , Niladri S. Chatterji , Peter L. Bartlett , Michael I. Jordan

Atomistic modelling of phase transitions, chemical reactions, or other rare events that involve overcoming high free energy barriers usually entails prohibitively long simulation times. Introducing a bias potential as a function of an…

Computational Physics · Physics 2019-11-06 Federico Giberti , Bingqing Cheng , Gareth Aneurin Tribello , Michele Ceriotti

Sampling from constrained statistical distributions is a fundamental task in various fields including Bayesian statistics, computational chemistry, and statistical physics. This article considers the cases where the constrained distribution…

Machine Learning · Computer Science 2025-10-28 Kijung Jeon , Michael Muehlebach , Molei Tao

Priors with non-smooth log-densities, such as the l1-prior, are widely used in Bayesian inverse problems for their sparsity-inducing properties. Existing Langevin-based sampling methods typically rely on proximal mappings or smooth…

Numerical Analysis · Mathematics 2026-05-05 Ivan Cheltsov , Federico Cornalba , Clarice Poon , Tony Shardlow

Gaussian graphical model selection is usually studied under independent sampling, but in many applications observations arise from dependent dynamics. We study structure learning when the data consist of a single trajectory of Gaussian…

Machine Learning · Computer Science 2026-05-13 Vignesh Tirukkonda , Anirudh Rayas , Gautam Dasarathy

A general procedure of average-case performance evaluation for population dynamics such as genetic algorithms (GAs) is proposed and its validity is numerically examined. We introduce a learning algorithm of Gibbs distributions from training…

Neural and Evolutionary Computing · Computer Science 2010-04-22 Manabu Kitagata , Jun-ichi Inoue

Explicit, momentum-based dynamics for optimizing functions defined on Lie groups was recently constructed, based on techniques such as variational optimization and left trivialization. We appropriately add tractable noise to the…

Statistics Theory · Mathematics 2024-06-19 Lingkai Kong , Molei Tao

We consider the problem of unconstrained minimization of a smooth objective function in $\R^n$ in a setting where only function evaluations are possible. While importance sampling is one of the most popular techniques used by machine…

Optimization and Control · Mathematics 2020-04-03 Adel Bibi , El Houcine Bergou , Ozan Sener , Bernard Ghanem , Peter Richtárik

Inverse problems are ubiquitous because they formalize the integration of data with mathematical models. In many scientific applications the forward model is expensive to evaluate, and adjoint computations are difficult to employ; in this…

Dynamical Systems · Mathematics 2021-11-05 G. A. Pavliotis , A. M. Stuart , U. Vaes

As an example of the nonlinear Fokker-Planck equation, the mean field Langevin dynamics recently attracts attention due to its connection to (noisy) gradient descent on infinitely wide neural networks in the mean field regime, and hence the…

Machine Learning · Statistics 2022-02-28 Atsushi Nitanda , Denny Wu , Taiji Suzuki

Distributionally Robust Optimization (DRO), as a popular method to train robust models against distribution shift between training and test sets, has received tremendous attention in recent years. In this paper, we propose and analyze…

Machine Learning · Computer Science 2023-08-17 Qi Qi , Jiameng Lyu , Kung sik Chan , Er Wei Bai , Tianbao Yang

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

We consider the problem of sampling from a probability distribution $\pi$. It is well known that this can be written as an optimisation problem over the space of probability distributions in which we aim to minimise the Kullback--Leibler…

Machine Learning · Statistics 2026-04-23 Francesca Romana Crucinio , Sahani Pathiraja

We study the convergence properties of the Gibbs Sampler in the context of posterior distributions arising from Bayesian analysis of conditionally Gaussian hierarchical models. We develop a multigrid approach to derive analytic expressions…

Computation · Statistics 2019-06-27 Giacomo Zanella , Gareth Roberts

We propose a distributed nonparametric algorithm for solving measure-valued optimization problems with additive objectives. Such problems arise in several contexts in stochastic learning and control including Langevin sampling from an…

Optimization and Control · Mathematics 2022-02-21 Iman Nodozi , Abhishek Halder

Stochastic gradients have been widely integrated into Langevin-based methods to improve their scalability and efficiency in solving large-scale sampling problems. However, the proximal sampler, which exhibits much faster convergence than…

Machine Learning · Statistics 2024-05-28 Xunpeng Huang , Difan Zou , Yi-An Ma , Hanze Dong , Tong Zhang

Performing exact Bayesian inference for complex models is computationally intractable. Markov chain Monte Carlo (MCMC) algorithms can provide reliable approximations of the posterior distribution but are expensive for large datasets and…

Computation · Statistics 2021-12-09 Maxime Vono , Daniel Paulin , Arnaud Doucet

We consider Ising models on the hypercube with a general interaction matrix $J$, and give a polynomial time sampling algorithm when all but $O(1)$ eigenvalues of $J$ lie in an interval of length one, a situation which occurs in many models…

Data Structures and Algorithms · Computer Science 2022-02-21 Frederic Koehler , Holden Lee , Andrej Risteski

Domain adaptation aims to generalise a high-performance learner on target domain (non-labelled data) by leveraging the knowledge from source domain (rich labelled data) which comes from a different but related distribution. Assuming the…

Computer Vision and Pattern Recognition · Computer Science 2019-10-18 Jie Su