Constraint Programming Approaches to the Discretizable Molecular Distance Geometry Problem
Abstract
The Distance Geometry Problem (DGP) seeks to find positions for a set of points in geometric space when some distances between pairs of these points are known. The so-called discretization assumptions allow to discretize the search space of DGP instances. In this paper, we study the Discretizable Molecular Distance Geometry Problem whose feasible solutions provide a discretization scheme for the DGP. We propose the first constraint programming formulations as well as a set of checks for proving infeasibility, domain reduction techniques, symmetry breaking constraints and valid inequalities. Our computational results indicate that our formulations outperform the state-of-the-art integer programming formulations, both for feasible and infeasible instances.
Cite
@article{arxiv.1908.00048,
title = {Constraint Programming Approaches to the Discretizable Molecular Distance Geometry Problem},
author = {Moira MacNeil and Merve Bodur},
journal= {arXiv preprint arXiv:1908.00048},
year = {2021}
}