A Gaussian jump process formulation of the reaction-diffusion master equation enables faster exact stochastic simulations

被引:0
|
作者
Subic, Tina [1 ,2 ,3 ]
Sbalzarini, Ivo F. [1 ,2 ,3 ,4 ]
机构
[1] Tech Univ Dresden, Fac Comp Sci, Dresden, Germany
[2] Max Planck Inst Mol Cell Biol & Genet, Dresden, Germany
[3] Ctr Syst Biol Dresden, Dresden, Germany
[4] Tech Univ Dresden, Cluster Excellence Phys Life, Dresden, Germany
来源
JOURNAL OF CHEMICAL PHYSICS | 2022年 / 157卷 / 19期
关键词
KINETICS;
D O I
10.1063/5.0123073
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We propose a Gaussian jump process model on a regular Cartesian lattice for the diffusion part of the Reaction-Diffusion Master Equation (RDME). We derive the resulting Gaussian RDME (GRDME) formulation from analogy with a kernel-based discretization scheme for continuous diffusion processes and quantify the limits of its validity relative to the classic RDME. We then present an exact stochastic simulation algorithm for the GRDME, showing that the accuracies of GRDME and RDME are comparable, but exact simulations of the GRDME require only a fraction of the computational cost of exact RDME simulations. We analyze the origin of this speedup and its scaling with problem dimension. The benchmarks suggest that the GRDME is a particularly beneficial model for diffusion-dominated systems in three dimensional spaces, often occurring in systems biology and cell biology.
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页数:16
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