论文标题
线索:通过约束微分方程的限制对动力学模型的确切最大降低
CLUE: Exact maximal reduction of kinetic models by constrained lumping of differential equations
论文作者
论文摘要
动机:生物过程的详细机械模型可能会对分析和参数估计构成重大挑战,这是由于用于跟踪所有涉及的生化物种的所有不同构型的动力学的方程数量。减少模型可以通过提供较低维的模型来帮助驯服这种复杂性,在该模型中,每个宏可变量可以与原始变量直接相关。 结果:我们提出了线索,这是一种通过约束线性隆起来精确模型减少多项式微分方程系统的算法。它计算最小的维度缩小为状态空间的线性映射,以便降低的模型保留了原始变量用户指定的线性组合的动力学。即使线索与非线性微分方程一起使用,它还是基于线性代数工具,这使其适用于高维模型。利用文献中的案例研究,我们展示了线索如何显着降低模型维度并帮助从还原中提取生物学上可理解的见解。 可用性:算法和相关资源的实现,以复制此处报告的实验,可在https://github.com/pogudingleb/clue上免费下载。 补充信息:封闭。
Motivation: Detailed mechanistic models of biological processes can pose significant challenges for analysis and parameter estimations due to the large number of equations used to track the dynamics of all distinct configurations in which each involved biochemical species can be found. Model reduction can help tame such complexity by providing a lower-dimensional model in which each macro-variable can be directly related to the original variables. Results: We present CLUE, an algorithm for exact model reduction of systems of polynomial differential equations by constrained linear lumping. It computes the smallest dimensional reduction as a linear mapping of the state space such that the reduced model preserves the dynamics of user-specified linear combinations of the original variables. Even though CLUE works with nonlinear differential equations, it is based on linear algebra tools, which makes it applicable to high-dimensional models. Using case studies from the literature, we show how CLUE can substantially lower model dimensionality and help extract biologically intelligible insights from the reduction. Availability: An implementation of the algorithm and relevant resources to replicate the experiments herein reported are freely available for download at https://github.com/pogudingleb/CLUE. Supplementary information: enclosed.