An accelerated hybrid framework for stochastic simulations of reaction–diffusion epidemic models
Source abstract
Abstract
Reaction–diffusion models have been widely used in mathematical epidemiology as a powerful tool for describing the spatiotemporal dynamics of an infectious disease. This paper presents a novel hybrid stochastic algorithm to simulate such models. Unlike existing hybrid methods, which are based on spatial coupling, our method temporally couples reactive multiparticle collision (RMPC) dynamics—a particle-based method—and the inhomogeneous stochastic simulation algorithm (ISSA)—a compartment-based method. The advantage of our hybrid algorithm is demonstrated on three benchmark epidemic models, with a focus on accuracy and computational cost. While the hybrid method has comparable accuracy, it is faster than full RMPC as long as the ISSA grid is not too refined. It is also found that the speed can be improved by either using a coarser ISSA grid or a smaller infectious switching threshold I*. Coupling RMPC with a spatial tau-leaping algorithm further improves the simulation times.
Source: crossref · Quality: baseline
Research context
OpenAlex topics: Gene Regulatory Network Analysis · Evolution and Genetic Dynamics · COVID-19 epidemiological studies
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
Department of Mathematics, Toronto Metropolitan University , 350 Victoria St., Toronto, Ontario M5B 2K3,
Funding
2007 NSERC Research Tools and Infrastructure Grant · Natural Sciences and Engineering Research Council of Canada · Ontario Graduate Scholarship · 2024 DND/NSERC supplemental funding award
References (53)
Show source-provided references
1. World Health Organization · 2017
2. A pandemic anniversary: 40 years of HIV/AIDS10.1016/s0140-6736(21)01167-3 ↗
3. World Health Organization · 2021
4. World Health Organization, “WHO COVID-19 dashboard,” https://data.who.int/dashboards/covid19 (accessed 16 October 2024).
5. 1911
6. An application of the theory of probabilities to the study of a priori pathometry–Part II10.1098/rspa.1917.0014 ↗
7. An application of the theory of probabilities to the study of a priori pathometry–Part III10.1098/rspa.1917.0015 ↗
8. Applications of mathematics to medical problems10.1017/S0013091500034428 ↗
9. A contribution to the mathematical theory of epidemics10.1098/rspa.1927.0118 ↗
10. Some evolutionary stochastic processes10.1111/j.2517-6161.1949.tb00031.x ↗
11. Deterministic and stochastic epidemics in closed populations
12. 1957
13. An introduction to stochastic epidemic models10.1007/978-3-540-78911-6_4 ↗
14. Active motion of synthetic nanomotors in filament networks10.1103/physrevresearch.2.033245 ↗
15. Stochastic simulations of the Schnakenberg model with spatial inhomogeneities using reactive multiparticle collision dynamics10.3934/math.2019.6.1805 ↗
16. A hybrid method for micro-mesoscopic stochastic simulation of reaction-diffusion systems10.1016/j.mbs.2019.04.001 ↗
17. Pair interaction of catalytical sphere dimers in chemically active media10.3390/mi9010035 ↗
18. Reactive multiparticle collision dynamics10.1016/j.cpc.2008.01.027 ↗
19. Mesoscopic model for diffusion-influenced reaction dynamics10.1063/1.1690244 ↗
20. 2020
21. 2020
22. Spatial stochastic intracellular kinetics: A review of modelling approaches10.1007/s11538-018-0443-1 ↗
23. Smoldyn: Particle-based simulation with rule-based modeling, improved molecular interaction and a library interface10.1093/bioinformatics/btw700 ↗
24. ReaDDy 2: Fast and flexible software framework for interacting-particle reaction dynamics10.1371/journal.pcbi.1006830 ↗
25. Second quantization representation for classical many-particle system10.1088/0305-4470/9/9/008 ↗
26. The reaction-diffusion master equation as an asymptotic approximation of diffusion to a small target10.1137/070705039 ↗
27. Chemical diffusion master equation: Formulations of reaction–diffusion processes on the molecular level10.1063/5.0129620 ↗
28. A probabilistic framework for particle-based reaction-diffusion dynamics using classical Fock space representations10.1007/s11005-022-01539-w ↗
29. Relationship between the reaction–diffusion master equation and particle tracking models10.1088/1751-8113/41/6/065003 ↗
30. K. Rohlf , Theoretical Studies on Blood Flow in Small Vessels, Ph.D. thesis, University of Waterloo, Waterloo, ON, Canada, 2002.
31. Stochastic phase-space description for reactions that change particle numbers10.1007/s10910-008-9373-8 ↗
32. Stochastic modelling of reaction–diffusion processes: Algorithms for bimolecular reactions10.1088/1478-3975/6/4/046001 ↗
33. Reaction-diffusion master equation in the microscopic limit10.1103/physreve.85.042901 ↗
34. A convergent reaction-diffusion master equation10.1063/1.4816377 ↗
35. An unstructured mesh convergent reaction–diffusion master equation for reversible reactions10.1016/j.jcp.2018.07.036 ↗
36. Reactive multi-particle collision dynamics with reactive boundary conditions10.1088/1478-3975/aabc35 ↗
37. Multiparticle collision dynamics for diffusion-influenced signaling pathways10.1088/1478-3975/13/4/046004 ↗
38. On the use of reactive multiparticle collision dynamics to gather particulate level information from simulations of epidemic models10.1063/5.0223361 ↗
39. Multiscale reaction-diffusion algorithms: PDE-assisted Brownian dynamics10.1137/120882469 ↗
40. Coupling particle-based reaction-diffusion simulations with reservoirs mediated by reaction-diffusion PDEs10.1137/20m1352739 ↗
41. Open reaction-diffusion systems: Bridging probabilistic theory and simulations across scales10.1088/1751-8121/adc520 ↗
42. Hybrid framework for the simulation of stochastic chemical kinetics10.1016/j.jcp.2016.08.034 ↗
43. The two-regime method for optimizing stochastic reaction–diffusion simulations10.1098/rsif.2011.0574 ↗
44. Adaptive two-regime method: Application to front propagation10.1063/1.4868652 ↗
45. Convergence of methods for coupling of microscopic and mesoscopic reaction–diffusion simulations10.1016/j.jcp.2015.01.030 ↗
46. Accelerated stochastic and hybrid methods for spatial simulations of reaction–diffusion systems10.1016/j.cplett.2007.11.055 ↗
47. Stochastic approach to chemical kinetics10.1017/s002190020002547x ↗
48. A general method for numerically simulating the stochastic time evolution of coupled chemical reactions10.1016/0021-9991(76)90041-3 ↗
49. Mesoscopic model for solvent dynamics10.1063/1.478857 ↗
50. Multi-particle collision dynamics: A particle-based mesoscale simulation approach to the hydrodynamics of complex fluids
51. Stochastic modeling and simulation of DNA electrophoretic separation in a microfluidic obstacle array10.1021/ma071354e ↗
52. A Brownian dynamics-finite element method for simulating DNA electrophoresis in nonhomogeneous electric fields10.1063/1.2222374 ↗
53. Spontaneous separation of bi-stable biochemical systems into spatial domains of opposite phases10.1049/sb:20045021 ↗