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Approximate Bayesian computation for estimating rate constants in biochemical reaction systems

机译:用于估计生化反应系统中速率常数的近似贝叶斯计算

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To study the dynamic properties of complex biological systems, mathematical modeling has been used widely in systems biology. Apart from the well-established knowledge for modeling techniques, there are still some difficulties while understanding the dynamics in system biology. One of the major challenges is how to infer unknown parameters in mathematical models based on the experimentally observed data sets. This is extremely difficult when the experimental data are sparse and the biological systems are stochastic. To tackle this problem, in this work we revised one computation method for inference called approximate Bayesian computation (ABC) and conducted extensive computing tests to examine the influence of a number of factors on the performance of ABC. Based on simulation results, we found that the number of stochastic simulations and step size of the observation data have substantial influence on the estimation accuracy. We applied the ABC method to two stochastic systems to test the efficiency and effectiveness of the ABC and obtained promising approximation for the unknown parameters in the systems. This work raised a number of important issues for designing effective inference methods for estimating rate constants in biochemical reaction systems.
机译:为了研究复杂生物系统的动态特性,数学建模已广泛用于系统生物学。除了建模技术的知识外,还有一些困难,同时了解系统生物学中的动态。其中一个主要挑战是如何基于实验观察数据集进行数学模型中未知参数。当实验数据稀疏时,这是极其困难的,并且生物系统是随机的。为了解决这个问题,在这项工作中,我们修改了一种称为近似贝叶斯计算(ABC)的推理的一个计算方法,并进行了广泛的计算测试,以检查许多因素对ABC性能的影响。基于仿真结果,我们发现观察数据的随机模拟数量和步长对估计精度具有大量影响。我们将ABC方法应用于两个随机系统,以测试ABC的效率和有效性,并获得了系统中未知参数的有希望的近似。这项工作提高了一些重要问题,用于设计生化反应系统中估计速率常数的有效推理方法。

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