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The main difficulty that arises in the analysis of most machine learning algorithms is to handle, analytically and numerically, a large number of interacting random variables. In this Ph.D manuscript, we revisit an approach based on the…

Disordered Systems and Neural Networks · Physics 2021-03-11 Benjamin Aubin

In recent years, even though Stochastic Gradient Descent (SGD) and its variants are well-known for training neural networks, it suffers from limitations such as the lack of theoretical guarantees, vanishing gradients, and excessive…

Optimization and Control · Mathematics 2022-02-17 Junxiang Wang , Hongyi Li , Liang Zhao

A novel particle merging algorithm for rarefied gas dynamics simulations is proposed that can conserve arbitrary velocity and spatial moments of the particle distribution via solving a non-negative least squares problem. An extension that…

Computational Physics · Physics 2026-04-02 Georgii Oblapenko , Manuel Torrilhon

Reduced modeling in high-dimensional reproducing kernel Hilbert spaces offers the opportunity to approximate efficiently non-linear dynamics. In this work, we devise an algorithm based on low rank constraint optimization and kernel-based…

Machine Learning · Computer Science 2020-02-23 Patrick Heas , Cedric Herzet , Benoit Combes

The unadjusted Langevin algorithm is widely used for sampling from complex high-dimensional distributions. It is well known to be biased, with the bias typically scaling linearly with the dimension when measured in squared Wasserstein…

Machine Learning · Statistics 2025-09-11 Daniel Lacker , Fuzhong Zhou

Standard algorithms for the numerical integration of the Langevin equation require that interactions are slowly varying during to the integration timestep. This in not the case for hard-body systems, where there is no clearcut between the…

Soft Condensed Matter · Physics 2013-02-07 Antonio Scala

In this paper, we study a method to sample from a target distribution $\pi$ over $\mathbb{R}^d$ having a positive density with respect to the Lebesgue measure, known up to a normalisation factor. This method is based on the Euler…

Statistics Theory · Mathematics 2016-12-20 Alain Durmus , Eric Moulines

Data analysis and interpretation often relies on an approximation of an empirical dataset by some analytic functions or models. Actual implementations usually rely on a non-linear multi-dimensional optimization algorithm, typically…

Instrumentation and Methods for Astrophysics · Physics 2025-01-29 Igor Chilingarian , Kirill Grishin

Stochastic gradient descent with momentum (SGDm) is one of the most popular optimization algorithms in deep learning. While there is a rich theory of SGDm for convex problems, the theory is considerably less developed in the context of deep…

Machine Learning · Statistics 2020-11-05 Umut Şimşekli , Lingjiong Zhu , Yee Whye Teh , Mert Gürbüzbalaban

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 present a novel communication-efficient Newton-type algorithm for finite-sum optimization over a distributed computing environment. Our method, named DINO, overcomes both theoretical and practical shortcomings of similar existing…

Optimization and Control · Mathematics 2020-06-09 Rixon Crane , Fred Roosta

We consider the optimization problem of minimizing an objective functional, which admits a variational form and is defined over probability distributions on the constrained domain, which poses challenges to both theoretical analysis and…

Optimization and Control · Mathematics 2023-07-11 Dai Hai Nguyen , Tetsuya Sakurai

In this paper, we consider sampling from a class of distributions with thin tails supported on $\mathbb{R}^d$ and make two primary contributions. First, we propose a new Metropolized Algorithm With Optimization Step (MAO), which is well…

Machine Learning · Statistics 2021-12-02 EL Mahdi Khribch , George Deligiannidis , Daniel Paulin

Neural Stochastic Differential Equations (NSDE) have been trained as both Variational Autoencoders, and as GANs. However, the resulting Stochastic Differential Equations can be hard to interpret or analyse due to the generic nature of the…

Machine Learning · Computer Science 2022-11-18 Simon M. Koop , Mark A. Peletier , Jacobus W. Portegies , Vlado Menkovski

We propose a physics-informed neural particle method (PINN--PM) for the spatially homogeneous Landau equation. The method adopts a Lagrangian interacting-particle formulation and jointly parameterizes the time-dependent score and the…

Numerical Analysis · Mathematics 2026-03-12 Minseok Kim , Sung-Jun Son , Yeoneung Kim , Donghyun Lee

Dynamics simulations of constrained particles can greatly aid in understanding the temporal and spatial evolution of biological processes such as lateral transport along membranes and self-assembly of viruses. Most theoretical efforts in…

Computational Physics · Physics 2017-03-03 Stefan Paquay , Remy Kusters

This paper presents a new accelerated proximal Markov chain Monte Carlo methodology to perform Bayesian inference in imaging inverse problems with an underlying convex geometry. The proposed strategy takes the form of a stochastic relaxed…

Approximate Bayesian inference estimates descriptors of an intractable target distribution - in essence, an optimization problem within a family of distributions. For example, Langevin dynamics (LD) extracts asymptotically exact samples…

Machine Learning · Statistics 2021-10-11 Zheyang Shen , Markus Heinonen , Samuel Kaski

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

The Langevin algorithms are frequently used to sample the posterior distributions in Bayesian inference. In many practical problems, however, the posterior distributions often consist of non-differentiable components, posing challenges for…

Numerical Analysis · Mathematics 2023-04-11 Ziruo Cai , Jinglai Li , Xiaoqun Zhang
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