Stochastic simulation of biochemical reactions with partial-propensity and rejection-based approaches

Vo Hong Thanh

Research output: Contribution to journalArticleScientificpeer-review

Abstract

We present in this paper a new exact algorithm for improving performance of exact stochastic simulation algorithm. The algorithm is developed on concepts of the partial-propensity and the rejection-based approaches. It factorizes the propensity bounds of reactions and groups factors by common reactant species for selecting next reaction firings. Our algorithm provides favorable computational advantages for simulating of biochemical reaction networks by reducing the cost for selecting the next reaction firing to scale with the number of chemical species and avoiding expensive propensity updates during the simulation. We present the details of our new algorithm and benchmark it on concrete biological models to demonstrate its applicability and efficiency. © 2017 Elsevier Inc.
Original languageEnglish
Pages (from-to)67-75
Number of pages9
JournalMATHEMATICAL BIOSCIENCES
Volume292
DOIs
Publication statusPublished - 2017
MoE publication typeA1 Journal article-refereed

Keywords

  • Stochastic models
  • Stochastic systems, Biochemical reaction network
  • Biochemical reactions
  • Biological models
  • Computational advantages
  • Computational biology
  • Improving performance
  • Stochastic simulation algorithms
  • Stochastic simulations, Bioinformatics, Article
  • benchmarking
  • biochemistry
  • biological model
  • chemical reaction
  • mathematical analysis
  • mathematical computing
  • stochastic model
  • algorithm
  • chemical model
  • computer simulation
  • Markov chain, Algorithms
  • Computer Simulation
  • Models, Biological
  • Models, Chemical
  • Stochastic Processes

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