We study a relative optimization framework for quasi-maximum likelihood blind source separation and relative Newton method as its particular instance. The structure of the Hessian allows its fast approximate inversion. In the second part we present Smoothing Method of Multipliers (SMOM) for minimization of sum of pairwise maxima of smooth functions, in particular sum of … 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 recent years, there has been a considerable amount of work in the development of numerical methods for derivative free optimization problems. Some of this work relies on the management of the geometry of sets of sampling points for function evaluation and model building. In this paper, we continue the work developed in [Conn, … 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 standard quadratic optimization problem (StQP) consists in minimizing a quadratic form over a simplex. A number of problems can be transformed into a StQP, including the general quadratic problem over a polytope and the maximum clique problem in a graph. In this paper we present several polynomial-time bounds for StQP ranging from very simple … 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
This paper describes Knitro 5.0, a C-package for nonlinear optimization that combines complementary approaches to nonlinear optimization to achieve robust performance over a wide range of application requirements. The package is designed for solving large-scale, smooth nonlinear programming problems, and it is also effective for the following special cases: unconstrained optimization, nonlinear systems of equations, … 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