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In recent years, several particle-based stochastic simulation algorithms (PSSA) have been developed to study the spatially resolved dynamics of biochemical networks at a molecular scale. A challenge all these approaches have to address is…

定量方法 · 定量生物学 2011-07-04 Thorsten Prüstel , Martin Meier-Schellersheim

Many physical and biological processes are stochastic in nature. Computational models and simulations of such processes are a mathematical and computational challenge. The basic stochastic simulation algorithm was published by D. Gillespie…

定量方法 · 定量生物学 2009-11-13 Azi Lipshtat

Brownian diffusion subject to stochastic resetting to a fixed position has been widely studied for applications to random search processes. In an unbounded domain, the mean first-passage time at a target site can be minimized for a…

统计力学 · 物理学 2025-10-08 Pedro Julián-Salgado , Leonardo Dagdug , Denis Boyer

Processes slow compared to atomic vibrations pose significant challenges in atomistic simulations, particularly for phenomena such as diffusive relaxations and phase transitions, where repeated crossings and the shear number of thermally…

材料科学 · 物理学 2025-12-15 Hoje Chun , Hao Tang , Bin Xing , Rafael Gomez-Bombarelli , Ju Li

We present a method for enhanced sampling of molecular dynamics simulations using stochastic resetting. Various phenomena, ranging from crystal nucleation to protein folding, occur on timescales that are unreachable in standard simulations.…

化学物理 · 物理学 2023-02-09 Ofir Blumer , Shlomi Reuveni , Barak Hirshberg

In arXiv:2305.03945 [math.NA], a first-order optimization algorithm has been introduced to solve time-implicit schemes of reaction-diffusion equations. In this research, we conduct theoretical studies on this first-order algorithm equipped…

数值分析 · 数学 2025-04-01 Shu Liu , Xinzhe Zuo , Stanley Osher , Wuchen Li

The optimal selection of experimental conditions is essential to maximizing the value of data for inference and prediction, particularly in situations where experiments are time-consuming and expensive to conduct. We propose a general…

机器学习 · 统计学 2012-12-04 Xun Huan , Youssef M. Marzouk

We study the first-passage-time (FPT) properties of active Brownian particles to reach an absorbing wall in two dimensions. Employing a perturbation approach we obtain exact analytical predictions for the survival and FPT distributions for…

软凝聚态物质 · 物理学 2025-03-10 Yanis Baouche , Magali Le Goff , Christina Kurzthaler , Thomas Franosch

We use a first-passage time approach to study the statistics of the trapping times induced by persistent motion of active particles colliding with flat boundaries. The angular first-passage time distribution and mean first-passage time is…

The first-passage time (FPT) is a fundamental concept in stochastic processes, representing the time it takes for a process to reach a specified threshold for the first time. Often, considering a time-dependent threshold is essential for…

概率论 · 数学 2024-12-23 Devika Khurana , Sascha Desmettre , Evelyn Buckwar

Diffusion models generate high-quality synthetic data. They operate by defining a continuous-time forward process which gradually adds Gaussian noise to data until fully corrupted. The corresponding reverse process progressively "denoises"…

Sticky Brownian motion is the simplest example of a diffusion process that can spend finite time both in the interior of a domain and on its boundary. It arises in various applications such as in biology, materials science, and finance.…

数值分析 · 数学 2020-07-21 Nawaf Bou-Rabee , Miranda Holmes-Cerfon

We introduce a simulation-based, amortised Bayesian inference scheme to infer the parameters of random walks. Our approach learns the posterior distribution of the walks' parameters with a likelihood-free method. In the first step a graph…

We study the random acceleration model, which is perhaps one of the simplest, yet nontrivial, non-Markov stochastic processes, and is key to many applications. For this non-Markov process, we present exact analytical results for the…

统计力学 · 物理学 2019-09-04 Satya N. Majumdar , Alberto Rosso , Andrea Zoia

We present the first accelerated randomized algorithm for solving linear systems in Euclidean spaces. One essential problem of this type is the matrix inversion problem. In particular, our algorithm can be specialized to invert positive…

最优化与控制 · 数学 2018-06-21 Robert M. Gower , Filip Hanzely , Peter Richtárik , Sebastian Stich

We consider one-dimensional diffusions, with polynomial drift and diffusion coefficients, so that in particular the motion can be space-inhomogeneous, interacting via one-sided reflections. The prototypical example is the well-known model…

概率论 · 数学 2023-07-05 Theodoros Assiotis

Diffusion models have shown remarkable performance in generation problems over various domains including images, videos, text, and audio. A practical bottleneck of diffusion models is their sampling speed, due to the repeated evaluation of…

计算机视觉与模式识别 · 计算机科学 2024-08-13 Taehong Moon , Moonseok Choi , EungGu Yun , Jongmin Yoon , Gayoung Lee , Jaewoong Cho , Juho Lee

Large scale simulations and analytical theory have been combined to obtain the non-equilibrium velocity distribution, $f(v)$, of randomly accelerated particles in suspension. The simulations are based on an event-driven algorithm,…

统计力学 · 物理学 2013-09-09 Andrea Fiege , Benjamin Vollmayr-Lee , Annette Zippelius

In many systems, the time scales of the microscopic dynamics and macroscopic dynamics of interest are separated by many orders of magnitude. Examples abound, for instance nucleation, protein folding, and chemical reactions. For these…

其他凝聚态物理 · 物理学 2009-11-13 J. Kuipers , G. T. Barkema

We present an acceleration method for sequences of large-scale linear systems, such as the ones arising from the numerical solution of time-dependent partial differential equations coupled with algebraic constraints. We discuss different…

数值分析 · 数学 2024-03-29 Margherita Guido , Daniel Kressner , Paolo Ricci