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On Chemical Reaction Network Design by a Nested Evolution Algorithm

机译:基于嵌套进化算法的化学反应网络设计

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One goal of synthetic biology is to implement useful functions with biochemical reactions, either by reprogramming living cells or programming artificial vesicles. In this perspective, we consider Chemical Reaction Networks (CRN) as a programming language, and investigate the CRN program synthesis problem. Recent work has shown that CRN interpreted by differential equations are Turing-complete and can be seen as analog computers where the molecular concentrations play the role of information carriers. Any real function that is computable by a Turing machine in arbitrary precision can thus be computed by a CRN over a finite set of molecular species. The proof of this result gives a numerical method to generate a finite CRN for implementing a real function presented as the solution of a Polynomial Initial Values Problem (PIVP). In this paper, we study an alternative method based on artificial evolution to build a CRN that approximates a real function given on finite sets of input values. We present a nested search algorithm that evolves the structure of the CRN and optimizes the kinetic parameters at each generation. We evaluate this algorithm on the Heaviside and Cosine functions both as functions of time and functions of input molecular species. We then compare the CRN obtained by artificial evolution both to the CRN generated by the numerical method from a PIVP definition of the function, and to the natural CRN found in the BioModels repository for switches and oscillators.
机译:合成生物学的一个目标是通过重新编程活细胞或编程人工囊泡来实现具有生化反应的有用功能。从这个角度来看,我们将化学反应网络(CRN)视为一种编程语言,并研究CRN程序综合问题。最近的工作表明,由微分方程解释的CRN是图灵完备的,可以看作是分子浓度起信息载体作用的模拟计算机。因此,图灵机可以以任意精度计算的任何实函数都可以通过CRN在有限的一组分子物种上进行计算。该结果的证明提供了一种数值方法,用于生成有限的CRN,以实现作为多项式初始值问题(PIVP)的解表示的实函数。在本文中,我们研究了一种基于人工进化的替代方法来构建CRN,该CRN近似于有限输入值集上给出的实函数。我们提出了一种嵌套的搜索算法,该算法改进了CRN的结构并优化了每一代的动力学参数。我们在时间和输入分子种类的功能上对Heaviside和余弦函数评估该算法。然后,我们将通过人工进化获得的CRN与通过从函数的PIVP定义通过数值方法生成的CRN以及在BioModels存储库中发现的用于开关和振荡器的自然CRN进行比较。

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