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Many-Core CPUs Can Deliver Scalable Performance to Stochastic Simulations of Large-Scale Biochemical Reaction Networks

机译:多核CpU可以为大规模生化反应网络的随机模拟提供可扩展的性能

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摘要

Stochastic simulation of large-scale biochemical reaction networks is becoming essential for Systems Biology. It enables the in-silico investigation of complex biological system dynamics under different conditions and intervention strategies, while also taking into account the inherent "biological noise" especially present in the low species count regime. It is however a great computational challenge since in practice we need to execute many repetitions of a complex simulation model to assess the average and extreme cases behavior of the dynamical system it represents. The problem's work scales quickly, with the number of repetitions required and the number of reactions in the bio-model. The worst case scenario s when there is a need to run thousands of repetitions of a complex model with thousands of reactions. We have developed a stochastic simulation software framework for many- and multi-core CPUs. It is evaluated using Intel's experimental many-cores Single-chip Cloud Computer (SCC) CPU and the latest generation consumer grade Core i7 multi-core Intel CPU, when running Gillespie's First Reaction Method exact stochastic simulation algorithm. It is shown that emerging many-core NoC processors can provide scalable performance achieving linear speedup as simulation work scales in both dimensions.
机译:大规模生化反应网络的随机模拟对于系统生物学变得至关重要。它可以对不同条件和干预策略下的复杂生物系统动力学进行计算机内调查,同时还考虑到固有的“生物噪声”,特别是在物种数量少的情况下。但是,这是一个巨大的计算挑战,因为在实践中,我们需要执行多次重复的复杂仿真模型来评估其代表的动力系统的平均和极端情况。问题的工作迅速扩展,需要重复的次数和生物模型中的反应次数。最坏的情况是需要运行具有数千个反应的复杂模型的数千次重复。我们已经开发了用于多核和多核CPU的随机仿真软件框架。在运行Gillespie的“第一反应方法”精确随机仿真算法时,使用英特尔实验性多核单芯片云计算机(SCC)CPU和最新一代消费级Core i7多核英特尔CPU对其进行了评估。结果表明,随着仿真工作在两个维度上的扩展,新兴的多核NoC处理器都可以提供可扩展的性能,从而实现线性加速。

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