Cycle-based formulations in Distance Geometry

The distance geometry problem asks to find a realization of a given simple edge-weighted graph in a Euclidean space of given dimension K, where the edges are realized as straight segments of lengths equal (or as close as possible) to the edge weights. The problem is often modelled as a mathematical programming formulation involving decision … Read more

Inexact scalarization proximal methods for multiobjective quasiconvex minimization on Hadamard manifold

In this paper we extend naturally the scalarization proximal point method to solve multiobjective unconstrained minimization problems, proposed by Apolinario et al.(2016), from Euclidean spaces to Hadamard manifolds for locally Lipschitz and quasiconvex vector objective functions. Moreover, we present a convergence analysis, under some mild assumptions on the multiobjective function, for two inexact variants of … Read more

Solving the bandwidth coloring problem applying constraint and integer programming techniques

In this paper, constraint and integer programming formulations are applied to solve Bandwidth Coloring Problem (BCP) and Bandwidth Multicoloring Problem (BMCP). The problems are modeled using distance geometry (DG) approaches, which are then used to construct the constraint programming formulation. The integer programming formulation is based on a previous formulation for the related Minimum Span … Read more

New error measures and methods for realizing protein graphs from distance data

The interval Distance Geometry Problem (iDGP) consists in finding a realization in R^K of a simple undirected graph G=(V,E) with nonnegative intervals assigned to the edges in such a way that, for each edge, the Euclidean distance between the realization of the adjacent vertices is within the edge interval bounds. Our aim is to determine … Read more

On the convergence rate of an inexact proximal point algorithm for quasiconvex minimization on Hadamard manifolds

In this paper we present a rate of convergence analysis of an inexact proximal point algorithm to solve minimization problems for quasiconvex objective functions on Hadamard manifolds. We prove that under natural assumptions the sequence generated by the algorithm converges linearly or superlinearly to a critical point of the problem. Article Download View On the … Read more

Inexact Proximal Point Methods for Quasiconvex Minimization on Hadamard Manifolds

In this paper we present two inexact proximal point algorithms to solve minimization problems for quasiconvex objective functions on Hadamard manifolds. We prove that under natural assumptions the sequence generated by the algorithms are well defined and converge to critical points of the problem. We also present an application of the method to demand theory … Read more

Molecular distance geometry methods: from continuous to discrete

Distance geometry problems arise from the need to position entities in the Euclidean $K$-space given some of their respective distances. Entities may be atoms (molecular distance geometry), wireless sensors (sensor network localization), or abstract vertices of a graph(graph drawing). In the context of molecular distance geometry, the distances are usually known because of chemical properties … Read more

Solving a Quantum Chemistry problem with Deterministic Global Optimization

The Hartree-Fock method is well known in quantum chemistry, and widely used to obtain atomic and molecular eletronic wave functions, based on the minimization of a functional of the energy. This gives rise to a multi-extremal, nonconvex, polynomial optimization problem. We give a novel mathematical programming formulation of the problem, which we solve by using … Read more

The Volume Algorithm revisited: relation with bundle methods

We revise the Volume Algorithm (VA) for linear programming and relate it to bundle methods. When first introduced, VA was presented as a subgradient-like method for solving the original problem in its dual form. In a way similar to the serious/null steps philosophy of bundle methods, VA produces green, yellow or red steps. In order … Read more