English

Parametric Sensitivity Analysis for Models of Reaction Networks within Interacting Compartments

Molecular Networks 2025-02-27 v2 Numerical Analysis Numerical Analysis Probability Quantitative Methods

Abstract

Models of reaction networks within interacting compartments (RNIC) are a generalization of stochastic reaction networks. It is most natural to think of the interacting compartments as "cells" that can appear, degrade, split, and even merge, with each cell containing an evolving copy of the underlying stochastic reaction network. Such models have a number of parameters, including those associated with the internal chemical model and those associated with the compartment interactions, and it is natural to want efficient computational methods for the numerical estimation of sensitivities of model statistics with respect to these parameters. Motivated by the extensive work on computational methods for parametric sensitivity analysis in the context of stochastic reaction networks over the past few decades, we provide a number of methods in the basic RNIC setting. Provided methods include the (unbiased) Girsanov transformation method (also called the Likelihood Ratio method) and a number of coupling methods for the implementation of finite differences, each motivated by methods from previous work related to stochastic reaction networks. We provide several numerical examples comparing the various methods in the new setting. We find that the relative performance of each method is in line with its analog in the "standard" stochastic reaction network setting. We have made all of the Matlab code used to implement the various methods freely available for download.

Keywords

Cite

@article{arxiv.2408.09208,
  title  = {Parametric Sensitivity Analysis for Models of Reaction Networks within Interacting Compartments},
  author = {David F. Anderson and Aidan S. Howells},
  journal= {arXiv preprint arXiv:2408.09208},
  year   = {2025}
}

Comments

Accepted to Journal of Chemical Physics. 34 pages. This is the accepted version

R2 v1 2026-06-28T18:15:31.894Z