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An adaptive tau-leaping method for stochastic simulations of reaction-diffusion systems

机译:反应扩散系统随机模拟的自适应tau-leaping方法

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Stochastic modelling is critical for studying many biochemical processes in a cell, in particular when some reacting species have low population numbers. For many such cellular processes the spatial distribution of the molecular species plays a key role. The evolution of spatially heterogeneous biochemical systems with some species in low amounts is accurately described by the mesoscopic model of the Reaction-Diffusion Master Equation. The Inhomogeneous Stochastic Simulation Algorithm provides an exact strategy to numerically solve this model, but it is computationally very expensive on realistic applications. We propose a novel adaptive time-stepping scheme for the tau-leaping method for approximating the solution of the Reaction-Diffusion Master Equation. This technique combines effective strategies for variable time-stepping with path preservation to reduce the computational cost, while maintaining the desired accuracy. The numerical tests on various examples arising in applications show the improved efficiency achieved by the new adaptive method.
机译:随机建模对于研究细胞中的许多生化过程至关重要,特别是当某些反应物种的种群数量较低时。对于许多这样的细胞过程,分子种类的空间分布起着关键作用。通过反应扩散主方程的介观模型可以准确地描述具有少量物种的空间异质生化系统的演化。非均匀随机仿真算法提供了一种精确的策略来数值求解该模型,但在实际应用中计算量很大。我们为tau-leaping方法提出了一种新颖的自适应时间步长方案,用于近似反应扩散主方程的解。该技术将可变时步的有效策略与路径保留相结合,以降低计算成本,同时保持所需的精度。在应用中出现的各种示例的数值测试表明,通过新的自适应方法可以提高效率。

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