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A Riemannian stochastic representation of model uncertainties in molecular dynamics is proposed. The approach relies on a reduced-order model, the projection basis of which is randomized on a subset of the Stiefel manifold characterized by…

计算物理 · 物理学 2022-10-27 Hao Zhang , Johann Guilleminot

Diffusion models have become a leading framework in generative modeling, yet their theoretical understanding -- especially for high-dimensional data concentrated on low-dimensional structures -- remains incomplete. This paper investigates…

机器学习 · 计算机科学 2026-04-29 Zixuan Zhang , Kaixuan Huang , Tuo Zhao , Mengdi Wang , Minshuo Chen

This letter presents an improved version of diffusion least mean ppower (LMP) algorithm for distributed estimation. Instead of sum of mean square errors, a weighted sum of mean square error is defined as the cost function for global and…

机器学习 · 统计学 2016-08-09 H. Zayyani , M. Korki

Self-diffusion coefficients, $D^*$, are routinely estimated from molecular dynamics simulations by fitting a linear model to the observed mean-squared displacements (MSDs) of mobile species. MSDs derived from simulation exhibit statistical…

统计力学 · 物理学 2026-01-05 Andrew R. McCluskey , Samuel W. Coles , Benjamin J. Morgan

Diffusion models excel in content generation by implicitly learning the data manifold, yet they lack a practical method to leverage this manifold - unlike other deep generative models equipped with latent spaces. This paper introduces a…

计算机视觉与模式识别 · 计算机科学 2025-04-30 Shinnosuke Saito , Takashi Matsubara

The Fr\'echet mean generalizes the concept of a mean to a metric space setting. In this work we consider equivariant estimation of Fr\'echet means for parametric models on metric spaces that are Riemannian manifolds. The geometry and…

统计理论 · 数学 2021-04-09 Andrew McCormack , Peter Hoff

We study geometric stochastic differential equations (SDEs) and their approximations on Riemannian manifolds. In particular, we introduce a simple new construction of geometric SDEs, using which with bounded curvature. In particular, we…

概率论 · 数学 2023-11-22 Xiang Cheng , Jingzhao Zhang , Suvrit Sra

In recent years, manifold learning has become increasingly popular as a tool for performing non-linear dimensionality reduction. This has led to the development of numerous algorithms of varying degrees of complexity that aim to recover man…

机器学习 · 统计学 2013-06-03 Dominique Perraul-Joncas , Marina Meila

Diffusion models are recent state-of-the-art methods for image generation and likelihood estimation. In this work, we generalize continuous-time diffusion models to arbitrary Riemannian manifolds and derive a variational framework for…

机器学习 · 计算机科学 2022-08-18 Chin-Wei Huang , Milad Aghajohari , Avishek Joey Bose , Prakash Panangaden , Aaron Courville

In this paper, we propose a general methodology for sampling from un-normalized densities defined on Riemannian manifolds, with a particular focus on multi-modal targets that remain challenging for existing sampling methods. Inspired by the…

机器学习 · 统计学 2026-02-03 Alain Durmus , Maxence Noble , Thibaut Pellerin

We propose a new approach to quantize the marginals of the discrete Euler diffusion process. The method is built recursively and involves the conditional distribution of the marginals of the discrete Euler process. Analytically, the method…

概率论 · 数学 2015-05-25 Gilles Pagès , Abass Sagna

We consider the estimation of Dirichlet Process Mixture Models (DPMMs) in distributed environments, where data are distributed across multiple computing nodes. A key advantage of Bayesian nonparametric models such as DPMMs is that they…

机器学习 · 统计学 2017-09-20 Ruohui Wang , Dahua Lin

This paper develops the first decentralized online Riemannian optimization algorithm on Hadamard manifolds. Our algorithm, the decentralized projected Riemannian gradient descent, iteratively performs local updates using projected…

最优化与控制 · 数学 2024-10-08 Hengchao Chen , Qiang Sun

Generative diffusion models have recently emerged as a powerful strategy to perform stochastic sampling in Bayesian inverse problems, delivering remarkably accurate solutions for a wide range of challenging applications. However, diffusion…

统计计算 · 统计学 2025-05-15 Abdul-Lateef Haji-Ali , Marcelo Pereyra , Luke Shaw , Konstantinos Zygalakis

We analyze a batched variant of Stochastic Gradient Descent (SGD) with weighted sampling distribution for smooth and non-smooth objective functions. We show that by distributing the batches computationally, a significant speedup in the…

数值分析 · 数学 2017-03-02 Deanna Needell , Rachel Ward

Exploring the free-energy landscape along reaction coordinates or system parameters $\lambda$ is central to many studies of high-dimensional model systems in physics, e.g. large molecules or spin glasses. In simulations this usually…

统计力学 · 物理学 2018-09-05 Viveca Lindahl , Jack Lidmar , Berk Hess

This work proposes a geometric insight into equivariant message passing on Riemannian manifolds. As previously proposed, numerical features on Riemannian manifolds are represented as coordinate-independent feature fields on the manifold. To…

机器学习 · 统计学 2023-10-17 Ilyes Batatia

A stochastic algorithm is proposed, finding the set of generalized means associated to a probability measure on a compact Riemannian manifold M and a continuous cost function on the product of M by itself. Generalized means include p-means…

概率论 · 数学 2013-05-28 Marc Arnaudon , Laurent Miclo

Diffusion is a key element of a large set of phenomena occurring on natural and social systems modeled in terms of complex weighted networks. Here, we introduce a general formalism that allows to easily write down mean-field equations for…

统计力学 · 物理学 2010-07-14 Andrea Baronchelli , Romualdo Pastor-Satorras

In this work we tackle the problem of estimating the density $ f_X $ of a random variable $ X $ by successive smoothing, such that the smoothed random variable $ Y $ fulfills the diffusion partial differential equation $ (\partial_t -…

图像与视频处理 · 电气工程与系统科学 2024-01-11 Martin Zach , Erich Kobler , Antonin Chambolle , Thomas Pock