This paper is concerned with the application of semidefinite programming to the satisfiability problem, and in particular with using semidefinite liftings to efficiently obtain proofs of unsatisfiability. We focus on the Tseitin satisfiability instances which are known to be hard for many proof systems. We present an explicit semidefinite programming problem with dimension linear in … Read more
Employing the variational approach having the two-body reduced density matrix (RDM) as variables to compute the ground state energies of atomic-molecular systems has been a long time dream in electronic structure theory in chemical physics/physical chemistry. Realization of the RDM approach has benefited greatly from recent developments in semidefinite programming (SDP). We present the actual … Read more
We formulate an optimal control problem of magnetization in a ferromagnet as a mathematical program with evolutionary equilibrium constraints. The evolutionary nature of the equilibrium is due to the hysteresis behavior of the respective magnetization process. To solve the problem numerically, we adapted the implicit programming technique. The adjoint equations, needed to compute the subgradients … Read more
Bundle adjustment using the Levenberg-Marquardt minimization algorithm is almost invariably used as the last step of every feature-based structure and motion estimation computer vision algorithm to obtain optimal 3D structure and viewing parameter estimates. However, due to the large number of unknowns contributing to the minimized reprojection error, a general purpose implementation of the Levenberg-Marquardt … Read more
In this paper we present optimization algorithms for image restoration based on the total variation (TV) minimization framework of L. Rudin, S. Osher and E. Fatemi (ROF). Our approach formulates TV minimization as a second-order cone program which is then solved by interior-point algorithms that are efficient both in practice (using nested dissection and domain … Read more
The variational approach for electronic structure based on the two-body reduced density matrix is studied, incorporating two representability conditions beyond the previously used $P$, $Q$ and $G$ conditions. The additional conditions (called $T1$ and $T2$ here) are implicit in work of R.~M.~Erdahl [Int.\ J.\ Quantum Chem.\ {\bf13}, 697–718 (1978)] and extend the well-known three-index diagonal … Read more
The Morse potential is a simple model pair potential that has a single parameter $\rho$ which determines the width of the potential well and allows a wide variety of materials to be modelled. Morse clusters provide a particularly tough test system for global optimization algorithms, and one that is highly relevant to methods that are … Read more
We recently discovered 5 new putative globally optimum configurations for Morse clusters at $\rho=8$. This report contains some algorithmic details as well as the structures determined with our method. Citation Technical Report DSI 3-2003, Dipartimento di Sistemi e Informatica, Università degli Studi di Firenze, Firenze, 2003. Article Download View New global optima for Morse clusters … Read more
The “thirteen spheres problem”, also known as the “Gregory-Newton problem” is to determine the maximum number of three-dimensional spheres that can simultaneously touch a given sphere, where all the spheres have the same radius. The history of the problem goes back to a disagreement between Isaac Newton and David Gregory in 1694. Using a combination … Read more
This paper deals with the application of pattern search methods to the numerical solution of a class of molecular geometry problems with important applications in molecular physics and chemistry. The goal is to find a configuration of a cluster or a molecule with minimum total energy. The minimization problems in this class of geometry molecular … Read more