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arXiv 1306.2365stat.ME
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微分方程贝叶斯解的不确定性量化

Bayesian Solution Uncertainty Quantification for Differential Equations

Oksana A. Chkrebtii, David A. Campbell, Ben Calderhead, Mark A. Girolami

摘要:

我们探讨了概率建模的离散化不确定性的系统状态定义隐含的普通或偏微分方程。考虑到这种不确定性,可以避免后覆盖不足时,似然构造从一个粗略的离散近似系统方程。提出了一种形式主义的推断一个固定的,但先验未知的模型轨迹,通过贝叶斯更新的先验过程条件的模型信息。一个一步前进的采样方案询问模型,其一致性和一阶收敛性证明,其计算复杂性是成正比的数值显式一步求解器。例子说明了这个框架的灵活性,以处理各种各样的复杂和大规模的系统。在校准问题中,离散化不确定性定义了贝叶斯层次结构中的一层,并提出了一种针对该后验分布的马尔可夫链蒙特卡罗算法。这种形式主义是用于推理的JAK-STAT延迟微分方程模型的蛋白质动力学间接观察到的测量。讨论概述了新领域的概率数值的影响。

英文摘要:

We explore probability modelling of discretization uncertainty for system states defined implicitly by ordinary or partial differential equations. Accounting for this uncertainty can avoid posterior under-coverage when likelihoods are constructed from a coarsely discretized approximation to system equations. A formalism is proposed for inferring a fixed but a priori unknown model trajectory through Bayesian updating of a prior process conditional on model information. A one-step-ahead sampling scheme for interrogating the model is described, its consistency and first order convergence properties are proved, and its computational complexity is shown to be proportional to that of numerical explicit one-step solvers. Examples illustrate the flexibility of this framework to deal with a wide variety of complex and large-scale systems. Within the calibration problem, discretization uncertainty defines a layer in the Bayesian hierarchy, and a Markov chain Monte Carlo algorithm that targets this posterior distribution is presented. This formalism is used for inference on the JAK-STAT delay differential equation model of protein dynamics from indirectly observed measurements. The discussion outlines implications for the new field of probabilistic numerics.

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