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Multiscale Hy3S: Hybrid stochastic simulation for supercomputers

机译:多尺度Hy3S:超级计算机的混合随机模拟

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摘要

BackgroundStochastic simulation has become a useful tool to both study natural biological systems and design new synthetic ones. By capturing the intrinsic molecular fluctuations of "small" systems, these simulations produce a more accurate picture of single cell dynamics, including interesting phenomena missed by deterministic methods, such as noise-induced oscillations and transitions between stable states. However, the computational cost of the original stochastic simulation algorithm can be high, motivating the use of hybrid stochastic methods. Hybrid stochastic methods partition the system into multiple subsets and describe each subset as a different representation, such as a jump Markov, Poisson, continuous Markov, or deterministic process. By applying valid approximations and self-consistently merging disparate descriptions, a method can be considerably faster, while retaining accuracy. In this paper, we describe Hy3S, a collection of multiscale simulation programs.
机译:背景随机模拟已成为研究天然生物系统和设计新的合成系统的有用工具。通过捕获“小型”系统的内在分子波动,这些模拟产生了更精确的单细胞动力学图像,包括确定性方法遗漏的有趣现象,例如噪声引起的振荡和稳态之间的转变。但是,原始随机模拟算法的计算成本可能很高,从而激发了混合随机方法的使用。混合随机方法将系统分为多个子集,并将每个子集描述为不同的表示形式,例如跳跃马尔可夫,泊松,连续马尔可夫或确定性过程。通过应用有效的近似值和自洽地合并不同的描述,可以在保持准确性的同时显着提高方法的速度。在本文中,我们描述了Hy3S,这是一个多尺度仿真程序的集合。

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