The subtle business of model reduction for stochastic chemical kinetics

TitleThe subtle business of model reduction for stochastic chemical kinetics
Publication TypeJournal Article
Year of Publication2009
AuthorsGillespie, D. T., Y. Cao, K. R. Sanft, and L. R. Petzold
JournalJOURNAL OF CHEMICAL PHYSICS
Volume130
Issue6
Date PublishedFEB 14
Type of ArticleArticle
ISSN0021-9606
Abstract

{This paper addresses the problem of simplifying chemical reaction networks by adroitly reducing the number of reaction channels and chemical species. The analysis adopts a discrete-stochastic point of view and focuses on the model reaction set S-1 -><- S-2 -> S-3, whose simplicity allows all the mathematics to be done exactly. The advantages and disadvantages of replacing this reaction set with a single S-3-producing reaction are analyzed quantitatively using novel criteria for measuring simulation accuracy and simulation efficiency. It is shown that in all cases in which such a model reduction can be accomplished accurately and with a significant gain in simulation efficiency, a procedure called the slow-scale stochastic simulation algorithm provides a robust and theoretically transparent way of implementing the reduction.}

DOI10.1063/1.3072704