Conrad Patrick R, Girolami Mark, Särkkä Simo, Stuart Andrew, Zygalakis Konstantinos
1Department of Statistics, University of Warwick, Coventry, UK.
2Present Address: Alan Turing Institute, London, UK.
Stat Comput. 2017;27(4):1065-1082. doi: 10.1007/s11222-016-9671-0. Epub 2016 Jun 2.
In this paper, we present a formal quantification of uncertainty induced by numerical solutions of ordinary and partial differential equation models. Numerical solutions of differential equations contain inherent uncertainties due to the finite-dimensional approximation of an unknown and implicitly defined function. When statistically analysing models based on differential equations describing physical, or other naturally occurring, phenomena, it can be important to explicitly account for the uncertainty introduced by the numerical method. Doing so enables objective determination of this source of uncertainty, relative to other uncertainties, such as those caused by data contaminated with noise or model error induced by missing physical or inadequate descriptors. As ever larger scale mathematical models are being used in the sciences, often sacrificing complete resolution of the differential equation on the grids used, formally accounting for the uncertainty in the numerical method is becoming increasingly more important. This paper provides the formal means to incorporate this uncertainty in a statistical model and its subsequent analysis. We show that a wide variety of existing solvers can be randomised, inducing a probability measure over the solutions of such differential equations. These measures exhibit contraction to a Dirac measure around the true unknown solution, where the rates of convergence are consistent with the underlying deterministic numerical method. Furthermore, we employ the method of modified equations to demonstrate enhanced rates of convergence to stochastic perturbations of the original deterministic problem. Ordinary differential equations and elliptic partial differential equations are used to illustrate the approach to quantify uncertainty in both the statistical analysis of the forward and inverse problems.
在本文中,我们对常微分方程和偏微分方程模型的数值解所引起的不确定性进行了形式化量化。由于未知且隐式定义函数的有限维近似,微分方程的数值解包含固有不确定性。在基于描述物理或其他自然现象的微分方程对模型进行统计分析时,明确考虑数值方法引入的不确定性可能很重要。这样做能够相对于其他不确定性(例如由受噪声污染的数据或由缺失物理描述符或不充分描述符引起的模型误差所导致的不确定性)客观地确定这种不确定性来源。随着科学领域中使用的数学模型规模越来越大,通常会在所用网格上牺牲微分方程的完全分辨率,因此正式考虑数值方法中的不确定性变得越来越重要。本文提供了将这种不确定性纳入统计模型及其后续分析的形式化方法。我们表明,各种现有的求解器都可以随机化,从而在这类微分方程的解上诱导出一种概率测度。这些测度会收缩到围绕真实未知解的狄拉克测度,其收敛速度与底层确定性数值方法一致。此外,我们采用修正方程的方法来证明对原始确定性问题的随机扰动的收敛速度有所提高。常微分方程和椭圆型偏微分方程被用于说明在正向问题和逆问题的统计分析中量化不确定性的方法。