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Surfaces serve as highly efficient catalysts for a vast variety of chemical reactions. Typically, such surface reactions involve billions of molecules which diffuse and react over macroscopic areas. Therefore, stochastic fluctuations are…

Statistical Mechanics · Physics 2007-10-12 B. Barzel , O. Biham

Diffusion Models are probabilistic models that create realistic samples by simulating the diffusion process, gradually adding and removing noise from data. These models have gained popularity in domains such as image processing, speech…

Computer Vision and Pattern Recognition · Computer Science 2024-08-21 Md Manjurul Ahsan , Shivakumar Raman , Yingtao Liu , Zahed Siddique

Heterogeneity in gene expression across isogenic cell populations can give rise to phenotypic diversity, even when cells are in homogenous environments. This diversity arises from the discrete, stochastic nature of biochemical reactions,…

Quantitative Methods · Quantitative Biology 2017-08-31 Zachary Fox , Brian Munsky

We present a new algorithm to optimize distributions defined implicitly by parameterized stochastic diffusions. Doing so allows us to modify the outcome distribution of sampling processes by optimizing over their parameters. We introduce a…

Discrete-state stochastic models have become a well-established approach to describe biochemical reaction networks that are influenced by the inherent randomness of cellular events. In the last years severalmethods for accurately…

Molecular Networks · Quantitative Biology 2017-07-03 Alexander Lück , Verena Wolf

In the infectious disease literature, significant effort has been devoted to studying dynamics at a single scale. For example, compartmental models describing population-level dynamics are often formulated using differential equations. In…

Populations and Evolution · Quantitative Biology 2025-04-16 Yuan Yin , Jennifer A. Flegg , Mark B. Flegg

We describe a new algorithm for simulating complex Markoff-processes. We have used a reaction-cell method in order to simulate arbitrary reactions. It can be used for any kind of RDS on arbitrary topologies, including fractal dimensions or…

chem-ph · Physics 2009-10-28 Thomas Fricke , Dietmar Wendt

The stochastic nature of chemical reactions involving randomly fluctuating population sizes has lead to a growing research interest in discrete-state stochastic models and their analysis. A widely-used approach is the description of the…

Quantitative Methods · Quantitative Biology 2015-10-01 Alexander Andreychenko , Luca Bortolussi , Ramon Grima , Philipp Thomas , Verena Wolf

At the cellular scale, biochemical processes are governed by random interactions between reactant molecules with small copy counts, leading to behavior that is inherently stochastic. Such systems are often modeled as continuous-time Markov…

Data Structures and Algorithms · Computer Science 2015-09-02 Kevin R. Sanft , Hans G. Othmer

We discuss several ways of illustrating fundamental concepts in statistical and thermal physics by considering various models and algorithms. We emphasize the importance of replacing students' incomplete mental images by models that are…

Physics Education · Physics 2009-11-13 Jan Tobochnik , Harvey Gould

We consider stochastic thermodynamics as a theory of statistical inference for experimentally observed fluctuating time-series. To that end, we introduce a general framework for quantifying the knowledge about the dynamical state of the…

Statistical Mechanics · Physics 2015-05-19 Bernhard Altaner , Jürgen Vollmer

Diffusion probabilistic models have made their way into a number of high-profile applications since their inception. In particular, there has been a wave of research into using diffusion models in the prediction and design of biomolecular…

Biomolecules · Quantitative Biology 2024-06-05 Trevor Norton , Debswapna Bhattacharya

A class of Brownian dynamics algorithms for stochastic reaction-diffusion models which include reversible bimolecular reactions is presented and analyzed. The method is a generalization of the $\lambda$--$\newrho$ model for irreversible…

Biological Physics · Physics 2010-05-12 J. Lipkova , K. C. Zygalakis , S. J. Chapman , R. Erban

We consider a generic class of stochastic particle-based models whose state at an instant in time is described by a set of continuous degrees of freedom (e.g. positions), and the length of this set changes stochastically in time due to…

Statistical Mechanics · Physics 2025-09-03 Samuel Cameron , Elsen Tjhung

We study classical stochastic systems with discrete states, coupled to switching external environments. For fast environmental processes we derive reduced dynamics for the system itself, focusing on corrections to the adiabatic limit of…

Statistical Mechanics · Physics 2019-03-27 Peter G. Hufton , Yen Ting Lin , Tobias Galla

Compartmentalization of biochemical processes underlies all biological systems, from the organelle to the tissue scale. Theoretical models to study the interplay between noisy reaction dynamics and compartmentalization are sparse, and…

Quantitative Methods · Quantitative Biology 2022-06-08 Lorenzo Duso , Christoph Zechner

The reaction-diffusion master equation (RDME) is a model that allows for efficient on-lattice simulation of spatially resolved stochastic chemical kinetics. Compared to off-lattice hard-sphere simulations with Brownian Dynamics (BD) or…

Numerical Analysis · Mathematics 2017-09-06 Stefan Hellander , Andreas Hellander , Linda Petzold

This article shows how to specify and construct a discrete, stochastic, continuous-time model specifically for ecological systems. The model is more broad than typical chemical kinetics models in two ways. First, using time-dependent hazard…

Populations and Evolution · Quantitative Biology 2015-06-30 Andrew J. Dolgert

Generative artificial intelligence (AI) refers to algorithms that create synthetic but realistic output. Diffusion models currently offer state of the art performance in generative AI for images. They also form a key component in more…

Machine Learning · Computer Science 2023-12-27 Catherine F. Higham , Desmond J. Higham , Peter Grindrod

The aim of this article is to provide a scheme for simulating diffusion processes evolving in one-dimensional discontinuous media. This scheme does not rely on smoothing the coefficients that appear in the infinitesimal generator of the…

Probability · Mathematics 2007-05-23 Antoine Lejay , Miguel Martinez