Probabilistic Linear Multistep Methods

We present a derivation and theoretical investigation of the Adams-Bashforth and Adams-Moulton family of linear multistep methods for solving ordinary differential equations, starting from a Gaussian process (GP) framework. In the limit, this formulation coincides with the classical deterministic methods, which have been used as higher-order initial value problem solvers for over a century. Furthermore, the natural probabilistic framework provided by the GP formulation allows us to derive probabilistic versions of these methods, in the spirit of a number of other probabilistic ODE solvers presented in the recent literature. In contrast to higher-order Runge-Kutta methods, which require multiple intermediate function evaluations per step, Adams family methods make use of previous function evaluations, so that increased accuracy arising from a higher-order multistep approach comes at very little additional computational cost. We show that through a careful choice of covariance function for the GP, the posterior mean and standard deviation over the numerical solution can be made to exactly coincide with the value given by the deterministic method and its local truncation error respectively. We provide a rigorous proof of the convergence of these new methods, as well as an empirical investigation (up to fifth order) demonstrating their convergence rates in practice.

[1]  Leon O. Chua Chua circuit , 2007, Scholarpedia.

[2]  Ernst Hairer,et al.  Solving Ordinary Differential Equations I: Nonstiff Problems , 2009 .

[3]  Andrew M. Stuart,et al.  Statistical analysis of differential equations: introducing probability measures on numerical solutions , 2016, Statistics and Computing.

[4]  David Duvenaud,et al.  Probabilistic ODE Solvers with Runge-Kutta Means , 2014, NIPS.

[5]  J. Butcher Numerical methods for ordinary differential equations , 2003 .

[6]  B. Fornberg Generation of finite difference formulas on arbitrarily spaced grids , 1988 .

[7]  Michael A. Osborne,et al.  Probabilistic numerics and uncertainty in computations , 2015, Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences.

[8]  L. Chua The Genesis of Chua's circuit , 1992 .

[9]  G. Akrivis A First Course In The Numerical Analysis Of Differential Equations [Book News & Reviews] , 1998, IEEE Computational Science and Engineering.

[10]  Pietro Pantano,et al.  A gallery of chua attractors , 2008 .

[11]  Matematik,et al.  Numerical Methods for Ordinary Differential Equations: Butcher/Numerical Methods , 2005 .

[12]  Carl E. Rasmussen,et al.  Gaussian processes for machine learning , 2005, Adaptive computation and machine learning.

[13]  S. Gupta,et al.  Statistical decision theory and related topics IV , 1988 .

[14]  Mark A. Girolami,et al.  Bayesian inference for differential equations , 2008, Theor. Comput. Sci..

[15]  Søren Hauberg,et al.  Probabilistic Solutions to Differential Equations and their Application to Riemannian Statistics , 2013, AISTATS.

[16]  Evelyn Buckwar,et al.  Multistep methods for SDEs and their application to problems with small noise , 2006, SIAM J. Numer. Anal..

[17]  A. O'Hagan,et al.  Bayesian calibration of computer models , 2001 .

[18]  M. Girolami,et al.  Bayesian Solution Uncertainty Quantification for Differential Equations , 2013 .

[19]  Klaus Ritter,et al.  Bayesian numerical analysis , 2000 .