Jorge Moré We analyze the relationship between the noise level of a function and the accuracy and reliability of derivatives and difference estimates. We derive and empirically validate measures of quality for both derivatives and difference estimates. Using these measures, we quantify the accuracy of derivatives and differences in terms of the noise level of the function. … Read more
We employ recent work on computational noise to obtain near-optimal finite difference estimates of the derivatives of a noisy function. Our analysis employs a stochastic model of the noise without assuming a specific form of distribution. We use this model to derive theoretical bounds for the errors in the difference estimates and obtain an easily … Read more
Computational noise in deterministic simulations is as ill-defined a concept as can be found in scientific computing. When coupled with adaptive strategies, the effects of finite precision destroy smoothness of the simulation output and complicate subsequent analysis. Following the work of Hamming on roundoff errors, we present a new algorithm, ECnoise, for quantifying the noise … Read more
We propose data profiles as a tool for analyzing the performance of derivative-free optimization solvers when there are constraints on the computational budget. We use performance and data profiles, together with a convergence test that measures the decrease in function value, to analyze the performance of three solvers on sets of smooth, noisy, and piecewise-smooth … Read more
We examine the importance of optimality measures when benchmarking a set of solvers, and show that scaling requirements lead to a convergence test for nonlinearly constrained optimization solvers that uses a mixture of absolute and relative error measures. We demonstrate that this convergence test is well behaved at any point where the constraints satisfy the … Read more
We describe version 3.0 of the COPS set of nonlinearly constrained optimization problems. We have added new problems, as well as streamlined and improved most of the problems. We also provide a comparison of the FILTER, KNITRO, LOQO, MINOS, and SNOPT solvers on these problems. Citation Technical Report ANL/MCS-TM-273, Argonne National Laboratory, 02/04. Article Download … Read more
We propose the elastic string algorithm for computing mountain passes in finite-dimensional problems. We analyze the convergence properties and numerical performance of this algorithm for benchmark problems in chemistry and discretizations of infinite-dimensional variational problems. We show that any limit point of the elastic string algorithm is a path that crosses a critical point at … Read more
We describe developments associated with Version 4 of the NEOS Server and note that these developments have led to an exponential growth in the number of job submissions. We also provide an overview of some of the research and educational uses for the NEOS Server and discuss future research challenges. Citation Preprint ANL/MCS-P947-0202, Argonne National … Read more
We discuss the role of automatic differentiation tools in optimization software. We emphasize issues that are important to large-scale optimization and that have proved useful in the installation of nonlinear solvers in the NEOS Server. Our discussion centers on the computation of the gradient and Hessian matrix for partially separable functions and shows that the … Read more
We propose performance profiles — probability distribution functions for a performance metric — as a tool for benchmarking and comparing optimization software. We show that performance profiles combine the best features of other tools for performance evaluation. Citation benchmarking, performance, evaluation Article Download View Benchmarking optimization software with performance profiles