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Integrating Biosystem Models Using Waveform Relaxation

机译:使用波形松弛整合生物系统模型

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摘要

Modelling in systems biology often involves the integration of component models into larger composite models. How to do this systematically and efficiently is a significant challenge: coupling of components can be unidirectional or bidirectional, and of variable strengths. We adapt the waveform relaxation (WR) method for parallel computation of ODEs as a general methodology for computing systems of linked submodels. Four test cases are presented: (i) a cascade of unidirectionally and bidirectionally coupled harmonic oscillators, (ii) deterministic and stochastic simulations of calcium oscillations, (iii) single cell calcium oscillations showing complex behaviour such as periodic and chaotic bursting, and (iv) a multicellular calcium model for a cell plate of hepatocytes. We conclude that WR provides a flexible means to deal with multitime-scale computation and model heterogeneity. Global solutions over time can be captured independently of the solution techniques for the individual components, which may be distributed in different computing environments.
机译:系统生物学中的建模通常涉及将组件模型集成到较大的复合模型中。如何系统而有效地做到这一点是一个巨大的挑战:组件的耦合可以是单向或双向的,并且强度可变。我们将波形松弛(WR)方法用于ODE的并行计算,将其作为链接子模型的系统的通用方法。提出了四个测试案例:(i)级联的单向和双向耦合谐波振荡器;(ii)钙振荡的确定性和随机模拟;(iii)单细胞钙振荡表现出复杂的行为,例如周期性和混沌爆裂;以及(iv )肝细胞细胞板的多细胞钙模型。我们得出结论,WR提供了一种灵活的方法来处理多时标计算和模型异质性。可以随时间捕获全局解决方案,而无需考虑各个组件的解决方案技术,这些解决方案可以分布在不同的计算环境中。

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