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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…

Sampling the parameter space of artificial neural networks according to a Boltzmann distribution provides insight into the geometry of low-loss solutions and offers an alternative to conventional loss minimization for training. However,…

Disordered Systems and Neural Networks · Physics 2026-03-17 Alessandro Zambon , Francesca Caruso , Riccardo Zecchina , Guido Tiana

Langevin Dynamics has been extensively employed in global non-convex optimization due to the concentration of its stationary distribution around the global minimum of the potential function at low temperatures. In this paper, we propose to…

Optimization and Control · Mathematics 2023-05-22 Ryo Fujino

Estimating the normalizing constant of an unnormalized probability distribution has important applications in computer science, statistical physics, machine learning, and statistics. In this work, we consider the problem of estimating the…

Data Structures and Algorithms · Computer Science 2020-06-25 Rong Ge , Holden Lee , Jianfeng Lu

We study the problem of sampling from a distribution $\target$ using the Langevin Monte Carlo algorithm and provide rate of convergences for this algorithm in terms of Wasserstein distance of order $2$. Our result holds as long as the…

Computation · Statistics 2016-07-04 Thomas Bonis

We develop a novel class of MCMC algorithms based on a stochastized Nesterov scheme. With an appropriate addition of noise, the result is a time-inhomogeneous underdamped Langevin equation, which we prove emits a specified target…

Computational Engineering, Finance, and Science · Computer Science 2023-11-29 Duy H. Thai , Alexander L. Young , David B. Dunson

The rise of artificial intelligence (AI) hinges on the efficient training of modern deep neural networks (DNNs) for non-convex optimization and uncertainty quantification, which boils down to a non-convex Bayesian learning problem. A…

Computation · Statistics 2023-06-01 Wei Deng

Optimization algorithms and Monte Carlo sampling algorithms have provided the computational foundations for the rapid growth in applications of statistical machine learning in recent years. There is, however, limited theoretical…

Machine Learning · Statistics 2022-06-08 Yi-An Ma , Yuansi Chen , Chi Jin , Nicolas Flammarion , Michael I. Jordan

We study Langevin-type algorithms for sampling from Gibbs distributions such that the potentials are dissipative and their weak gradients have finite moduli of continuity not necessarily convergent to zero. Our main result is a…

Statistics Theory · Mathematics 2024-03-01 Shogo Nakakita

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 constrained sampling problem where the goal is to sample from a target distribution on a constrained domain. We propose skew-reflected non-reversible Langevin dynamics (SRNLD), a continuous-time stochastic differential…

Machine Learning · Computer Science 2025-04-16 Hengrong Du , Qi Feng , Changwei Tu , Xiaoyu Wang , Lingjiong Zhu

Sampling from probability distributions of the form $\sigma \propto e^{-\beta V}$, where $V$ is a continuous potential, is a fundamental task across physics, chemistry, biology, computer science, and statistics. However, when $V$ is…

Quantum Physics · Physics 2026-02-24 Jiaqi Leng , Zhiyan Ding , Zherui Chen , Lin Lin

Artificial neural networks (ANNs) are typically highly nonlinear systems which are finely tuned via the optimization of their associated, non-convex loss functions. In many cases, the gradient of any such loss function has superlinear…

Machine Learning · Computer Science 2023-01-18 Attila Lovas , Iosif Lytras , Miklós Rásonyi , Sotirios Sabanis

Gradient-based Markov Chain Monte Carlo methods have recently received much attention for sampling discrete distributions, with interesting connections to their continuous counterparts. For examples, there are two discrete analogues to the…

Methodology · Statistics 2025-07-15 Yuze Zhou , Zhiqiang Tan

In this paper, we provide non-asymptotic upper bounds on the error of sampling from a target density using three schemes of discretized Langevin diffusions. The first scheme is the Langevin Monte Carlo (LMC) algorithm, the Euler…

Statistics Theory · Mathematics 2021-12-07 Arnak S. Dalalyan , Avetik Karagulyan , Lionel Riou-Durand

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

It is well known that adding any skew symmetric matrix to the gradient of Langevin dynamics algorithm results in a non-reversible diffusion with improved convergence rate. This paper presents a gradient algorithm to adaptively optimize the…

Machine Learning · Computer Science 2020-09-29 Vikram Krishnamurthy , George Yin

A canonical algorithm for log-concave sampling is the Langevin Algorithm, aka the Langevin Diffusion run with some discretization stepsize $\eta > 0$. This discretization leads the Langevin Algorithm to have a stationary distribution…

Machine Learning · Statistics 2024-10-22 Jason M. Altschuler , Kunal Talwar

We consider the problem of sampling from a log-concave distribution $\pi(\theta) \propto e^{-f(\theta)}$ constrained to a polytope $K:=\{\theta \in \mathbb{R}^d: A\theta \leq b\}$, where $A\in \mathbb{R}^{m\times d}$ and $b \in…

Data Structures and Algorithms · Computer Science 2024-09-09 Oren Mangoubi , Nisheeth K. Vishnoi

We consider a family of unadjusted generalized HMC samplers, which includes standard position HMC samplers and discretizations of the underdamped Langevin process. A detailed analysis and optimization of the parameters is conducted in the…

Probability · Mathematics 2024-05-24 Nicolaï Gouraud , Pierre Le Bris , Adrien Majka , Pierre Monmarché