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Near-optimal experimental design for model selection in systems biology

机译:系统生物学模型选择的近最佳实验设计

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摘要

>Motivation: Biological systems are understood through iterations of modeling and experimentation. Not all experiments, however, are equally valuable for predictive modeling. This study introduces an efficient method for experimental design aimed at selecting dynamical models from data. Motivated by biological applications, the method enables the design of crucial experiments: it determines a highly informative selection of measurement readouts and time points.>Results: We demonstrate formal guarantees of design efficiency on the basis of previous results. By reducing our task to the setting of graphical models, we prove that the method finds a near-optimal design selection with a polynomial number of evaluations. Moreover, the method exhibits the best polynomial-complexity constant approximation factor, unless P = NP. We measure the performance of the method in comparison with established alternatives, such as ensemble non-centrality, on example models of different complexity. Efficient design accelerates the loop between modeling and experimentation: it enables the inference of complex mechanisms, such as those controlling central metabolic operation.>Availability: Toolbox ‘NearOED’ available with source code under GPL on the Machine Learning Open Source Software Web site (mloss.org).>Contact: >Supplementary information:  are available at Bioinformatics online.
机译:>动机:通过建模和实验的迭代来理解生物系统。但是,并非所有实验对于预测建模都同样有价值。这项研究介绍了一种有效的实验设计方法,旨在从数据中选择动力学模型。受生物学应用的启发,该方法能够进行关键实验的设计:它确定了测量读数和时间点的信息量很高。>结果:我们在以前的结果的基础上证明了设计效率的正式保证。通过将我们的任务简化为图形模型的设置,我们证明了该方法找到了具有多项式评估数的近似最优设计选择。此外,除非P = NP,否则该方法具有最佳的多项式复杂度常数近似因子。在不同复杂度的示例模型上,我们与已建立的替代方法(例如整体非中心性)相比,测量了该方法的性能。高效的设计加速了建模与实验之间的循环:它可以推论复杂的机制,例如控制中央代谢操作的那些机制。>可用性: box工具箱“ NearOED”可在机器学习公开课上的GPL下与源代码一起使用来源软件网站(mloss.org)。>联系方式: >补充信息:可从Bioinformatics在线获得。

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