Algorithmic Differentiation of Numerical Methods

Abstract

We discuss software tool support for the algorithmic differentiation (AD), also known as automatic differentiation, of numerical simulation programs that contain calls to solvers for parameterized systems of n nonlinear equations. The local computational overhead and the additional memory requirement for the computation of directional derivatives or adjoints of the solution of the nonlinear system with respect to the parameters can quickly become prohibitive for large values of n . Both are reduced drastically by analytical (and symbolic) approaches to differentiation of the underlying numerical methods. Following the discussion of the proposed terminology, we develop the algorithmic formalism building on prior work by other colleagues and present an implementation based on the AD software dco/c++. A representative case study supports the theoretically obtained computational complexity results with practical runtime measurements.