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The sampling of probability distributions specified up to a normalization constant is an important problem in both machine learning and statistical mechanics. While classical stochastic sampling methods such as Markov Chain Monte Carlo…

机器学习 · 统计学 2020-10-27 Hao Wu , Jonas Köhler , Frank Noé

We propose a simple conjecture for the functional form of the asymptotic behavior of work distributions for driven overdamped Brownian motion of a particle in confining potentials. This conjecture is motivated by the fact that these…

统计力学 · 物理学 2016-01-20 Viktor Holubec , Dominik Lips , Artem Ryabov , Petr Chvosta , Philipp Maass

The paper uses the spring potential to present interaction between the coarse-grained interfacial particles of the $\alpha$-Al2O3/$\alpha$-Al2O3 and $\alpha$-Fe2O3/$\alpha$-Fe2O3 contacts in the sliding friction study of these micron-scale…

软凝聚态物质 · 物理学 2023-08-08 Le Van Sang , Akihiko Yano , Ai Isohashi , Natsuko Sugimura , Hitoshi Washizu

Surprisingly the looking natural random walk leading to Brownian motion occurs to be often biased in a very subtle way: usually refers to only approximate fulfillment of thermodynamical principles like maximizing uncertainty. Recently, a…

量子物理 · 物理学 2015-06-03 Jarek Duda

The power spectral density (PSD) of any time-dependent stochastic processes $X_t$ is a meaningful feature of its spectral content. In its text-book definition, the PSD is the Fourier transform of the covariance function of $X_t$ over an…

统计力学 · 物理学 2018-06-12 Diego Krapf , Enzo Marinari , Ralf Metzler , Gleb Oshanin , Xinran Xu , Alessio Squarcini

Problems of particle dynamics involving unsteady Stokes flows in confined geometries are typically harder to solve than their steady counterparts. Approximation techniques are often the only resort. Felderhof (see e.g. 2005, 2009b) has…

流体动力学 · 物理学 2018-04-04 Akarsh Simha , Jianyong Mo , Philip J. Morrison

There is a whole range of emergent phenomena in non-equilibrium behaviors can be well described by a set of stochastic differential equations. Inspired by an insight gained during our study of robustness and stability in phage lambda…

其他凝聚态物理 · 物理学 2016-09-08 P. Ao

We study stochastic gradient descent (SGD) for composite optimization problems with $N$ sequential operators subject to perturbations in both the forward and backward passes. Unlike classical analyses that treat gradient noise as additive…

最优化与控制 · 数学 2026-02-25 Boao Kong , Hengrui Zhang , Kun Yuan

Stochastic approximation (SA) and stochastic gradient descent (SGD) algorithms are work-horses for modern machine learning algorithms. Their constant stepsize variants are preferred in practice due to fast convergence behavior. However,…

机器学习 · 计算机科学 2021-11-12 Zaiwei Chen , Shancong Mou , Siva Theja Maguluri

Efficient molecular dynamics (MD) simulation is vital for understanding atomic-scale processes in materials science and biophysics. Traditional density functional theory (DFT) methods are computationally expensive, which limits the…

机器学习 · 计算机科学 2025-10-03 Hung Le , Sherif Abbas , Minh Hoang Nguyen , Van Dai Do , Huu Hiep Nguyen , Dung Nguyen

This paper presents a comprehensive analysis of a broad range of variations of the stochastic proximal point method (SPPM). Proximal point methods have attracted considerable interest owing to their numerical stability and robustness…

最优化与控制 · 数学 2024-05-28 Peter Richtárik , Abdurakhmon Sadiev , Yury Demidovich

Confined active particles constitute simple, yet realistic, examples of systems that converge into a non-equilibrium steady state. We investigate a run-and-tumble particle in one spatial dimension, trapped by an external potential, with a…

统计力学 · 物理学 2024-04-09 Oded Farago , Naftali R. Smith

Stochastic density functional theory (sDFT) is becoming a valuable tool for studying ground state properties of extended materials. The computational complexity of describing the Kohn-Sham orbitals is replaced by introducing a set of random…

化学物理 · 物理学 2021-06-16 Ming Chen , Roi Baer , Daniel Neuhauser , Eran Rabani

Objective: Identifying the activity of motor neurons (MNs) non-invasively is possible by decomposing signals from muscles, e.g., surface electromyography (EMG) or ultrasound. The theoretical background of MN identification is convolutive…

定量方法 · 定量生物学 2025-08-19 Thomas Klotz , Robin Rohlén

Can far-from-equilibrium material response under arbitrary loading be inferred from equilibrium data and vice versa? Can the effect of element transmutation on mechanical behavior be predicted? Remarkably, such extrapolations are possible…

Motivated by applications in reinforcement learning (RL), we study a nonlinear stochastic approximation (SA) algorithm under Markovian noise, and establish its finite-sample convergence bounds under various stepsizes. Specifically, we show…

最优化与控制 · 数学 2022-01-27 Zaiwei Chen , Sheng Zhang , Thinh T. Doan , John-Paul Clarke , Siva Theja Maguluri

A reasonably accurate representation of a polymer chain is provided by beads connected with rods, or stiff, inextensible springs that mimic a single Kuhn step. Due to high computational cost, coarse-grained bead-spring models are used in…

软凝聚态物质 · 物理学 2023-03-06 Praphul Kumar , Indranil Saha Dalal

The reliability of the results of network meta-analysis (NMA) lies in the plausibility of key assumption of transitivity. This assumption implies that the effect modifiers' distribution is similar across treatment comparisons. Transitivity…

统计方法学 · 统计学 2023-10-06 Georgios Seitidis , Stavros Nikolakopoulos , Ioannis Ntzoufras , Dimitris Mavridis

The algorithms used to train neural networks, like stochastic gradient descent (SGD), have close parallels to natural processes that navigate a high-dimensional parameter space -- for example protein folding or evolution. Our study uses a…

机器学习 · 计算机科学 2023-06-07 Shishir Adhikari , Alkan Kabakçıoğlu , Alexander Strang , Deniz Yuret , Michael Hinczewski

We study the driven Brownian motion of hard rods in a one-dimensional cosine potential with an amplitude large compared to the thermal energy. In a closed system, we find surprising features of the steady-state current in dependence of the…

统计力学 · 物理学 2018-10-24 Dominik Lips , Artem Ryabov , Philipp Maass