We propose a new approach to convex nonlinear multiobjective optimization that captures the geometry of the Pareto set by generating a discrete set of Pareto points optimally. We show that the problem of finding an optimal representation of the Pareto surface can be formulated as a mathematical program with complementarity constraints. The complementarity constraints arise … Read more
The energy and properties of a many-electron atom or molecule may be directly computed from a variational optimization of a two-electron reduced density matrix (2-RDM) that is constrained to represent many-electron quantum systems. In this paper we implement a variational 2-RDM method with a representability constraint, known as the $T_2$ condition. The optimization of the … Read more
Iterative methods are proposed for certain augmented systems of linear equations that arise in interior methods for general nonlinear optimization. Interior methods define a sequence of KKT equations that represent the symmetrized (but indefinite) equations associated with Newton’s method for a point satisfying the perturbed optimality conditions. These equations involve both the primal and dual … Read more
A new quasi-Newton scheme for updating a low rank positive semi-definite Hessian approximation is described, primarily for use in sequential quadratic programming methods for nonlinear programming. Where possible the symmetric rank one update formula is used, but when this is not possible a new rank two update is used, which is not in the Broyden … Read more
In the paper a primal-infeasible interior point algorithm is proposed for linearly constrained convex programming. The starting point is any positive primal-infeasible dual-feasible point in a large region. The method maintains positivity of the iterates which point satisfies primal-infeasible dual-feasible point. At each iterates it requires to solve approximately a nonlinear system. It is shown … Read more
A theory of globally convergent trust-region methods for self-consistent field electronic structure calculations that use the density matrices as variables is developed. The optimization is performed by means of sequential global minimizations of a quadratic model of the true energy. The global minimization of this quadratic model, subject to the idempotency of the density matrix … Read more
In this paper, we are concerned with nonlinear minimization problems with second order cone constraints. A primal-dual interior point method is proposed for solving the problems. We also propose a new primal-dual merit function by combining the barrier penalty function and the potential function within the framework of the line search strategy, and show the … Read more
Most research in robust optimization has so far been focused on inequality-only, convex conic programming with simple linear models for uncertain parameters. Many practical optimization problems, however, are nonlinear and non-convex. Even in linear programming, coefficients may still be nonlinear functions of uncertain parameters. In this paper, we propose robust formulations that extend the robust-optimization … Read more
New theorems of the alternative for polynomial constraints (based on the Positivstellensatz from real algebraic geometry) and for linear constraints (generalizing the transposition theorems of Motzkin and Tucker) are proved. Based on these, two Karush-John optimality conditions — holding without any constraint qualification — are proved for single- or multi-objective constrained optimization problems. The first … Read more
Multi-leader-follower games arise when modeling competition between two or more dominant firms and lead in a natural way to equilibrium problems with equilibrium constraints (EPECs). We examine a variety of nonlinear optimization and nonlinear complementarity formulations of EPECs. We distinguish two broad cases: problems where the leaders can cost-differentiate and problems with price-consistent followers. We … Read more