Large-scale semidefinite programs in electronic structure calculation

Employing the variational approach having the two-body reduced density matrix (RDM) as variables to compute the ground state energies of atomic-molecular systems has been a long time dream in electronic structure theory in chemical physics/physical chemistry. Realization of the RDM approach has benefited greatly from recent developments in semidefinite programming (SDP). We present the actual … Read more

A Case Study of Joint Online Truck Scheduling and Inventory Management for Multiple Warehouses

For a real world problem — transporting pallets between warehouses in order to guarantee sufficient supply for known and additional stochastic demand — we propose a solution approach via convex relaxation of an integer programming formulation, suitable for online optimization. The essential new element linking routing and inventory management is a convex piecewise linear cost … Read more

Exploiting Structure in Parallel Implementation of Interior Point Methods for Optimization

OOPS is an object oriented parallel solver using the primal dual interior point methods. Its main component is an object-oriented linear algebra library designed to exploit nested block structure that is often present is truly large-scale optimization problems. This is achieved by treating the building blocks of the structured matrices as objects, that can use … Read more

A shifted Steihaug-Toint method for computing a trust-region step.

Trust-region methods are very convenient in connection with the Newton method for unconstrained optimization. The More-Sorensen direct method and the Steihaug-Toint iterative method are most commonly used for solving trust-region subproblems. We propose a method which combines both of these approaches. Using the small-size Lanczos matrix, we apply the More-Sorensen method to a small-size trust-region … Read more

A modified nearly exact method for solving low-rank trust region subproblem

In this paper we present a modified nearly exact (MNE) method for solving low-rank trust region (LRTR) subproblem. The LRTR subproblem is to minimize a quadratic function, whose Hessian is a positive diagonal matrix plus explicit low-rank update, subject to a Dikin-type ellipsoidal constraint, whose scaling matrix is positive definite and has the similar structure … Read more

A limited memory algorithm for inequality constrained minimization

A method for solving inequality constrained minimization problems is described. The algorithm is based on a primal-dual interior point approach, with a line search globalization strategy. A quasi-Newton technique (BFGS) with limited memory storage is used to approximate the second derivatives of the functions. The method is especially intended for solving problems with a large … Read more

Gradient Projection Methods for Quadratic Programs and Applications in Training Support Vector Machines

Gradient projection methods based on the Barzilai-Borwein spectral steplength choices are considered for quadratic programming problems with simple constraints. Well known nonmonotone spectral projected gradient methods and variable projection methods are discussed. For both approaches the behavior of different combinations of the two spectral steplengths is investigated. A nw adaptive stplength alternating rule is proposed, … Read more

SIAG/Opt Views-and-News Vol 14 No 1

SIAM’s SIAG/Opt Newsletter special issue on Large Scale Nonconvex Optimization. Guest editors Sven Leyffer and Jorge Nocedal, with contributions by Gould, Sachs, Biegler, Waechter, Leyffer, Bussieck and Pruessner. CitationSIAG/Opt Views-and-News, Volume 14 Number 1, April 2003. http://fewcal.uvt.nl/sturm/siagopt/ArticleDownload View PDF

A globally convergent linearly constrained Lagrangian method for nonlinear optimization

For optimization problems with nonlinear constraints, linearly constrained Lagrangian (LCL) methods solve a sequence of subproblems of the form “minimize an augmented Lagrangian function subject to linearized constraints”. Such methods converge rapidly near a solution but may not be reliable from arbitrary starting points. The well known software package MINOS has proven effective on many … Read more

Semidefinite optimization, a spectral approach

This thesis is about mathematical optimization. Mathematical optimization involves the construction of methods to solve optimization problems, which can arise from real-life problems in applied science, when they are mathematically modeled. Examples come from electrical design, engineering, control theory, telecommunication, environment, finance, and logistics. This thesis deals especially with semidefinite optimization problems. Semidefinite programming is … Read more