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Reaction-diffusion processes are the foundational model for a diverse range of complex systems, ranging from biochemical reactions to social agent-based phenomena. The underlying dynamics of these systems occur at the individual…

Statistical Mechanics · Physics 2025-10-15 Mauricio J. del Razo , Margarita Kostré

The mesoscopic reaction-diffusion master equation (RDME) is a popular modeling framework, frequently applied to stochastic reaction-diffusion kinetics in systems biology. The RDME is derived from assumptions about the underlying physical…

Numerical Analysis · Mathematics 2015-06-23 Stefan Hellander , Andreas Hellander , Linda Petzold

This article develops a methodology allowing application of the complete machinery of particle-based inference methods upon the class of continuous-discrete State Space Models (CD-SSMs). Such models correspond to a latent continuous-time…

Methodology · Statistics 2025-11-17 Christopher Stanton , Alexandros Beskos

Stochastic reaction networks are a fundamental model to describe interactions between species where random fluctuations are relevant. The master equation provides the evolution of the probability distribution across the discrete state space…

Molecular Networks · Quantitative Biology 2021-06-15 Tabea Waizmann , Luca Bortolussi , Andrea Vandin , Mirco Tribastone

The reaction-diffusion master equation is a stochastic model often utilized in the study of biochemical reaction networks in living cells. It is applied when the spatial distribution of molecules is important to the dynamics of the system.…

Numerical Analysis · Mathematics 2017-03-08 Stefan Hellander , Linda Petzold

A variety of simulation methodologies have been used for modeling reaction-diffusion dynamics -- including approaches based on Differential Equations (DE), the Stochastic Simulation Algorithm (SSA), Brownian Dynamics (BD), Green's Function…

Chemical Physics · Physics 2021-05-21 Marcus Thomas , Russell Schwartz

The classical models for irreversible diffusion-influenced reactions can be derived by introducing absorbing boundary conditions to over-damped continuous Brownian motion (BM) theory. As there is a clear corresponding stochastic process,…

Statistical Mechanics · Physics 2016-10-13 Mauricio J. Del Razo , Hong Qian

It is increasingly realized that taking stochastic effects into account is important in order to study biological cells. However, the corresponding mathematical formulation, the chemical master equation (CME), suffers from the curse of…

Numerical Analysis · Mathematics 2023-09-18 Lukas Einkemmer , Julian Mangott , Martina Prugger

We formulate the generalized master equation for a class of continuous time random walks in the presence of a prescribed deterministic evolution between successive transitions. This formulation is exemplified by means of an…

Statistical Mechanics · Physics 2009-11-13 S. Eule , R. Friedrich , F. Jenko , I. M. Sokolov

By discretising space into compartments and letting system dynamics be governed by the reaction-diffusion master equation, it is possible to derive and simulate a stochastic model of reaction and diffusion on an arbitrary domain. However,…

Computational Physics · Physics 2019-11-27 Bartosz J. Bartmanski , Ruth E. Baker

A biochemical network can be simulated by a set of ordinary differential equations (ODE) under well stirred reactor conditions, for large numbers of molecules, and frequent reactions. This is no longer a robust representation when some…

Quantitative Methods · Quantitative Biology 2021-12-17 Guilherme C. P. Innocentini , Arran Hodgkinson , Fernando Antoneli , Arnaud Debussche , Ovidiu Radulescu

Mathematical models describing the spatial spreading and invasion of populations of biological cells are often developed in a continuum modelling framework using reaction-diffusion equations. While continuum models based on linear diffusion…

Cellular Automata and Lattice Gases · Physics 2024-01-23 Matthew J Simpson , Keeley M Murphy , Scott W McCue , Pascal R Buenzli

The recent advancements in mathematical modeling of biochemical systems have generated increased interest in sensitivity analysis methodologies. There are two primary approaches for analyzing these mathematical models: the stochastic…

Computation · Statistics 2025-10-14 Kannon Hossain , Roger Sidje , Fahad Mostafa

Models invoking the chemical master equation are used in many areas of science, and, hence, their simulation is of interest to many researchers. The complexity of the problems at hand often requires considerable computational power, so a…

Biological Physics · Physics 2016-03-02 Fabian Spill , Philip K. Maini , Helen Byrne

This work presents a probabilistic scheme for solving semilinear nonlocal diffusion equations with volume constraints and integrable kernels. The nonlocal model of interest is defined by a time-dependent semilinear partial…

Numerical Analysis · Mathematics 2022-05-03 Minglei Yang , Guannan Zhang , Diego Del-Castillo-Negrete , Yanzhao Cao

Reaction-diffusion models are used to describe systems in fields as diverse as physics, chemistry, ecology and biology. The fundamental quantities in such models are individual entities such as atoms and molecules, bacteria, cells or…

Computational Physics · Physics 2016-03-02 Fabian Spill , Pilar Guerrero , Tomas Alarcon , Philip K. Maini , Helen Byrne

Traditional chemical kinetics may be inappropriate to describe chemical reactions in micro-domains involving only a small number of substrate and reactant molecules. Starting with the stochastic dynamics of the molecules, we derive a…

Mathematical Physics · Physics 2009-11-10 D. Holcman , Z. Schuss

We present the spatial regime conversion method (SRCM), a novel hybrid modelling framework for simulating reaction-diffusion systems that adaptively combines stochastic discrete and deterministic continuum representations. Extending the…

Quantitative Methods · Quantitative Biology 2025-07-08 Charles G. Cameron , Cameron A. Smith , Christian A. Yates

We show that the master equation governing the dynamics of simple diffusion and certain chemical reaction processes in one dimension give time evolution operators (Hamiltonians) which are realizations of Hecke algebras. In the case of…

High Energy Physics - Theory · Physics 2014-11-18 F. C. Alcaraz , V. Rittenberg

We investigate the multi-chain version of the Chemical Master Equation, when there are transitions between different states inside the long chains, as well as transitions between (a few) different chains. In the discrete version, such a…

Statistical Mechanics · Physics 2015-06-12 Vahe Galstyan , David B. Saakian