Derivative-Free Bound-Constrained Optimization for Solving Structured Problems with Surrogate Models

Abstract: We propose and analyze a model-based derivative-free (DFO) algorithm for solving bound-constrained optimization problems where the objective function is the composition of a smooth function and a vector of black-box functions. We assume that the black-box functions are smooth and the evaluation of them is the computational bottleneck of the algorithm. The distinguishing feature of our algorithm is the use of approximate function values at interpolation points which can be obtained by an application-specific surrogate model that is cheap to evaluate. As an example, we consider the situation in which a sequence of related optimization problems is solved and present a regression-based approximation scheme that uses function values that were evaluated when solving prior problem instances. In addition, we propose and analyze a new algorithm for obtaining interpolation points that handles unrelaxable bound constraints. Our numerical results show that our algorithm outperforms a state-of-the-art DFO algorithm for solving a least-squares problem from a chemical engineering application when a history of black-box function evaluations is available.