The mesh adaptive direct search (MADS) class of algorithms is designed for nonsmooth optimization, where the objective function and constraints are typically computed by launching a time-consuming computer simulation. Each iteration of a MADS algorithm attempts to improve the current best-known solution by launching the simulation at a finite number of trial points. Common implementations … Read more
The self-consistent field (SCF) iteration has been used ubiquitously for solving the Kohn-Sham (KS) equation or the minimization of the KS total energy functional with respect to orthogonality constraints in electronic structure calculations. Although SCF with heuristics such as charge mixing often works remarkably well on many problems, it is well known that its convergence … Read more
Logical implications appear in a number of important mixed-integer nonlinear optimal control problems (MIOCPs). Mathematical optimization offers a variety of different formulations that are equivalent for boolean variables, but result in different relaxations. In this article we give an overview over a variety of different modeling approaches, including outer versus inner convexification, generalized disjunctive programming, … Read more
In this paper we study general $l_p$ regularized unconstrained minimization problems. In particular, we derive lower bounds for nonzero entries of first- and second-order stationary points, and hence also of local minimizers of the $l_p$ minimization problems. We extend some existing iterative reweighted $l_1$ (IRL1) and $l_2$ (IRL2) minimization methods to solve these problems and … Read more
In this work we propose a trust-region algorithm for the problem of minimizing a function within a convex closed domain. We assume that the objective function is differentiable but no derivatives are available. The algorithm has a very simple structure and allows a great deal of freedom in the choice of the models. Under reasonable … Read more
We address the numerical problem of recovering large matrices of low rank when most of the entries are unknown. We exploit the geometry of the low-rank constraint to recast the problem as an unconstrained optimization problem on a single Grassmann manifold. We then apply second-order Riemannian trust-region methods (RTRMC 2) and Riemannian conjugate gradient methods … Read more
As in most Data Mining procedures, how to tune the parameters of a Support Vector Machine (SVM) is a critical, though not sufficiently explored, issue. The default approach is a grid search in the parameter space, which becomes prohibitively time-consuming even when just a few parameters are to be tuned. For this reason, for models … Read more
The method of conjugate gradients (CG) is widely used for the iterative solution of large sparse systems of equations $Ax=b$, where $A\in\Re^{n\times n}$ is symmetric positive definite. Let $x_k$ denote the $k$–th iterate of CG. In this paper we obtain an expression for $J_k$, the Jacobian matrix of $x_k$ with respect to $b$. We use … Read more
The worst-case complexity of the steepest-descent algorithm with exact linesearches for unconstrained smooth optimization is analyzed, and it is shown that the number of iterations of this algorithm which may be necessary to find an iterate at which the norm of the objective function’s gradient is less that a prescribed $\epsilon$ is, essentially, a multiple … Read more
This paper provides a theoretical and experimental comparison between conjugate-gradients and multigrid, two iterative schemes for solving linear systems, in the context of applying diffusion-based correlation models in data assimilation. In this context, a large number of such systems has to be (approximately) solved if the implicit mode is chosen for integrating the involved diffusion … Read more