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We propose a universal approach for analysis and fast simulations of stiff stochastic biochemical kinetics networks, which rests on elimination of fast chemical species without a loss of information about mesoscopic, non-Poissonian…

Molecular Networks · Quantitative Biology 2009-07-07 N. A. Sinitsyn , Nicolas Hengartner , Ilya Nemenman

We propose a faster algorithm for individual based simulations for adaptive dynamics based on a simple modification to the standard Gillespie Algorithm for simulating stochastic birth-death processes. We provide an analytical explanation…

Populations and Evolution · Quantitative Biology 2016-01-29 Vaibhav Madhok

Numerical simulation of continuous-time Markovian processes is an essential and widely applied tool in the investigation of epidemic spreading on complex networks. Due to the high heterogeneity of the connectivity structure through which…

Physics and Society · Physics 2017-07-26 Wesley Cota , Silvio C. Ferreira

The existing literature on stochastic simulation of chemical reaction networks has a tendency to move as quickly as possible to the abstract formulation of the stochastic dynamics in terms of probabilities based on the concept of the…

Statistics Theory · Mathematics 2007-06-13 Sergey Plyasunov

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…

Quantitative Methods · Quantitative Biology 2011-07-04 Thorsten Prüstel , Martin Meier-Schellersheim

Biological systems with intertwined feedback loops pose a challenge to mathematical modeling efforts. Moreover, rare events, such as mutation and extinction, complicate system dynamics. Stochastic simulation algorithms are useful in…

Quantitative Methods · Quantitative Biology 2018-12-10 Alfonso Landeros , Timothy Stutz , Kevin L. Keys , Alexander Alekseyenko , Janet S. Sinsheimer , Kenneth Lange , Mary Sehl

Algorithmic strategies for the spatio-temporal simulation of multi-cellular systems are crucial to generate synthetic datasets for bioinformatics tools benchmarking, as well as to investigate experimental hypotheses on real-world systems in…

Populations and Evolution · Quantitative Biology 2021-10-14 Fabrizio Angaroni , Marco Antoniotti , Alex Graudenzi

This study considers using Metropolis-Hastings algorithm for stochastic simulation of chemical reactions. The proposed method uses SSA (Stochastic Simulation Algorithm) distribution which is a standard method for solving well-stirred…

Numerical Analysis · Computer Science 2014-10-31 Azam S. Zavar Moosavi , Paul Tranquilli , Adrian Sandu

Stochastic reaction networks, which are usually modeled as continuous-time Markov chains on $\mathbb Z^d_{\ge 0}$, and simulated via a version of the "Gillespie algorithm," have proven to be a useful tool for the understanding of processes,…

Probability · Mathematics 2025-07-15 David F. Anderson , Aidan S. Howells

Discrete-state, continuous-time Markov models are widely used in the modeling of biochemical reaction networks. Their complexity often precludes analytic solution, and we rely on stochastic simulation algorithms to estimate system…

Quantitative Methods · Quantitative Biology 2016-05-20 Christopher Lester , Christian A. Yates , Michael B. Giles , Ruth E. Baker

We develop a novel method to analyze the dynamics of stochastic rewriting systems evolving over finitary adhesive, extensive categories. Our formalism is based on the so-called rule algebra framework and exhibits an intimate relationship…

Logic in Computer Science · Computer Science 2023-06-22 Nicolas Behr , Vincent Danos , Ilias Garnier

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

Stochastic chemical systems with diffusion are modeled with a reaction-diffusion master equation. On a macroscopic level, the governing equation is a reaction-diffusion equation for the averages of the chemical species. On a mesoscopic…

Numerical Analysis · Mathematics 2009-03-06 Stefan Engblom , Lars Ferm , Andreas Hellander , Per Lötstedt

Comprehensive simulations of the entire biochemistry of cells have great potential to help physicians treat disease and help engineers design biological machines. But such simulations must model networks of millions of molecular species and…

Molecular Networks · Quantitative Biology 2020-05-22 Arthur P. Goldberg , David R. Jefferson , John A. P. Sekar , Jonathan R. Karr

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…

Quantitative Methods · Quantitative Biology 2009-11-13 Azi Lipshtat

Graph transformation formalisms have proven to be suitable tools for the modelling of chemical reactions. They are well established in theoretical studies and increasingly also in practical applications in chemistry. The latter is made…

Discrete Mathematics · Computer Science 2022-08-29 Jakob L. Andersen , Rolf Fagerberg , Juri Kolčák , Christophe V. F. P. Laurent , Daniel Merkle , Nikolai Nøjgaard

We present an improvement of the Gillespie Exact Stochastic Simulation Algorithm, which leverages a bitwise representation of variables to perform independent simulations in parallel. We show that the subsequent gain in computational yield…

Statistical Mechanics · Physics 2024-12-24 David Lacoste , Michele Castellana

The Gillespie algorithm provides statistically exact methods for simulating stochastic dynamics modelled as interacting sequences of discrete events including systems of biochemical reactions or earthquake occurrences, networks of queuing…

Physics and Society · Physics 2020-02-20 Naoki Masuda , Luis E. C. Rocha

We address the problem of simulation and parameter inference for chemical reaction networks described by the chemical Langevin equation, a stochastic differential equation (SDE) representation of the dynamics of the chemical species. This…

Methodology · Statistics 2025-08-18 Petar Jovanovski , Andrew Golightly , Umberto Picchini , Massimiliano Tamborrino

We take up the challenge of designing realistic computational models of large interacting cell populations. The goal is essentially to bring Gillespie's celebrated stochastic methodology to the level of an interacting population of cells.…

Computational Engineering, Finance, and Science · Computer Science 2018-10-26 Stefan Engblom