This paper deals with the application of pattern search methods to the numerical solution of a class of molecular geometry problems with important applications in molecular physics and chemistry. The goal is to find a configuration of a cluster or a molecule with minimum total energy. The minimization problems in this class of geometry molecular … Read more
In recent years, much work has been done on implementing a variety of algorithms in nonlinear programming software. In this paper, we analyze the performance of several state-of-the-art optimization codes on large-scale nonlinear optimization problems. Extensive numerical results are presented on different classes of problems, and features of each code that make it efficient or … Read more
We study nonsmooth unconstrained optimization problem, which includes sum of pairwise maxima of smooth functions. Minimum $l_1$-norm approximation is a particular case of this problem. Combining ideas Lagrange multipliers with smooth approximation of max-type function, we obtain a new kind of nonquadratic augmented Lagrangian. Our approach does not require artificial variables, and preserves sparse structure … Read more
The authors of this paper recently introduced a transformation \cite{BuMoZh99-1} that converts a class of semidefinite programs (SDPs) into nonlinear optimization problems free of matrix-valued constraints and variables. This transformation enables the application of nonlinear optimization techniques to the solution of certain SDPs that are too large for conventional interior-point methods to handle efficiently. Based … Read more
We study conditions under which line search Newton methods for nonlinear systems of equations and optimization fail due to the presence of singular non-stationary points. These points are not solutions of the problem and are characterized by the fact that Jacobian or Hessian matrices are singular. It is shown that, for systems of nonlinear equations, … Read more
This paper studies recent modifications of the limited memory BFGS (L-BFGS) method for solving large scale unconstrained optimization problems. Each modification technique attempts to improve the quality of the L-BFGS Hessian by employing (extra) updates in certain sense. Because at some iterations these updates might be redundant or worsen the quality of this Hessian, this … Read more
Recently, general definitions of pattern search methods for both unconstrained and linearly constrained optimization were presented. It was shown under mild conditions, that there exists a subsequence of iterates converging to a stationary point. In the unconstrained case, stronger results are derived under additional assumptions. In this paper, we present three small dimensioned examples showing … Read more