Automatic differentiation of numerical integration algorithms

Abstract

Automatic differentiation (AD) is a technique for automatically augmenting computer programs with statements for the computation of derivatives. This article discusses the application of automatic differentiation to numerical integration algorithms for ordinary differential equations (ODEs), in particular, the ramifications of the fact that AD is applied not only to the solution of such an algorithm, but to the solution procedure itself. This subtle issue can lead to surprising results when AD tools are applied to variable-stepsize, variable-order ODE integrators. The computation of the final time step plays a special role in determining the computed derivatives. We investigate these issues using various integrators and suggest constructive approaches for obtaining the desired derivatives.