Numerical algebraic geometry for model selection and its application to the life sciences.

Numerical algebraic geometry for model selection and its application to the life sciences.
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DOI:
10.1098/rsif.2016.0256
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发表时间:
2016-10
期刊:
Journal of the Royal Society, Interface
影响因子:
--
通讯作者:
Harrington HA
Harrington HA
中科院分区:
其他
文献类型:
--
作者:
Gross E;Davis B;Ho KL;Bates DJ;Harrington HA

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研究数学模型的研究人员经常会遇到参数估计、模型验证和模型选择等相关问题。这些都是优化问题,众所周知,由于非线性、非凸性和多个局部最优,具有挑战性。此外,当只有部分数据可用时,挑战会变得更加复杂。在这里,我们考虑多项式模型(例如,稳态的质量作用化学反应网络),并使用数值代数几何描述基于最优化的分析框架。具体地说,我们使用概率一多项式同伦连续方法来计算目标函数的所有临界点,然后过滤以恢复全局最优值。我们的方法利用了与模型和数据相关的几何结构,并在细胞信号、合成生物学和流行病学的例子中展示了它的有效性。
Researchers working with mathematical models are often confronted by the related problems of parameter estimation, model validation and model selection. These are all optimization problems, well known to be challenging due to nonlinearity, non-convexity and multiple local optima. Furthermore, the challenges are compounded when only partial data are available. Here, we consider polynomial models (e.g. mass-action chemical reaction networks at steady state) and describe a framework for their analysis based on optimization using numerical algebraic geometry. Specifically, we use probability-one polynomial homotopy continuation methods to compute all critical points of the objective function, then filter to recover the global optima. Our approach exploits the geometrical structures relating models and data, and we demonstrate its utility on examples from cell signalling, synthetic biology and epidemiology.
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