Individual Molecules Dynamics in Reaction Network Models

DOI10.1137/21M1459563MaRDI QIDQ6171202zbMATH OpenOpenAlexFDO

Authors Daniele Cappelletti, Grzegorz A. Rempala

Publication date 17 July 2023

Published in SIAM Journal on Applied Dynamical Systems (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/2111.08559

zbMATH Keywords

dynamical survival analysislaw of large numbersmathematical epidemiologyPoisson process representationsingle-molecule dynamicsSkorokhod topologystochastic approximation

Mathematics Subject Classification ID

Point processes (e.g., Poisson, Cox, Hawkes processes) (60G55) Biochemistry, molecular biology (92C40) Systems biology, networks (92C42) Epidemiology (92D30)

Abstract: In a stochastic reaction network setting we consider the problem of tracking the fate of individual molecules. We show that using the classical large volume limit results, we may approximate the dynamics of a single tracked molecule in a simple and computationally efficient way. We give examples on how this approach may be used to obtain various characteristics of single-molecule dynamics (for instance, the distribution of the number of infections in a single individual in the course of an epidemic or the activity time of a single enzyme molecule). Moreover, we show how to approximate the overall dynamics of species of interest in the full system with a collection of independent single-molecule trajectories, and give explicit bounds for the approximation error in terms of the reaction rates. This approximation, which is well defined for all times, leads to an efficient and fully parallelizable simulation technique for which we provide some numerical examples.

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Cited in

(4)

• Dynamical properties of discrete reaction networks
• Flexible single molecule simulation of reaction-diffusion processes
• How to \textit{correctly} fit an SIR model to data from an SEIR model?
• Estimating disease transmission in a closed population under repeated testing

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