The knowledge of the access paths connecting interior of molecular systems with surrounding environment is important for the understanding of structurefunction relationships and engineering of molecules for biotechnological applications. CAVER is a computer program developed for calculations of tunnels, channels or pores in the biomolecules, inorganic materials and molecular ensembles. The algo...

We present an algorithm for a pair of pursuers, each with one rotating beam (flashlight, laser or a camera), searching for an unpredictable, moving target in a 2D environment (simple polygon). Given a polygon with n edges, the algorithm decides in time O(n) whether it can be cleared by the pursuers, and if so, constructs a search schedule. The pursuers are allowed to move on the boundary and in...

It has been noticed by Wächter and Biegler that a number of interior point methods for nonlinear programming based on line search strategy may generate a sequence converging to an infeasible point. We show that by adopting a suitable merit function, a modified primal-dual equation, and a proper line search procedure, a class of interior point methods of line search type will generate a sequence...

An interior-point method for nonlinear programming is presented. It enjoys the flexibility of switching between a line search method that computes steps by factoring the primal-dual equations and a trust region method that uses a conjugate gradient iteration. Steps computed by direct factorization are always tried first, but if they are deemed ineffective, a trust region iteration that guarante...

Based on a new kernel function, a large-update primal-dual interior-point algorithm for solving linear optimization is proposed. The kernel function is used both for determining the search directions and for measuring the distance between the given iterate and the μ-center for the algorithm. By using several new technical lemmas, the iteration complexity bound as O( √ n log n log nε ) is obtain...

In this paper we continue our earlier studies 13, 14] on boundary operators for constrained parameter optimization problems. The signiicance of this line of research is based on the observation that usually the global solution for many optimization problems lies on the boundary of the feasible region. Thus, for many constrained numerical optimization problems it might be beneecial to search jus...

1. Abstract Complementarity problems arise in mathematical models of several applications in Engineering, Economy and different branches of Physics. We mention contact problems and dynamic of multiple body systems in Solid Mechanics. In this paper we present a new feasible directions interior-point algorithm for mixed nonlinear complementarity problems that we have called FDA-MNCP. This algorit...

The aim of this paper is to propose a new particle swarm optimization algorithm to solve a hybrid flowshop scheduling with sequence-dependent setup times problem, which is of great importance in the industrial context. This algorithm is called diversified particle swarm optimization algorithm which is a generalization of particle swarm optimization algorithm and inspired by an anarchic society ...

The objective of this paper is to present an optimal design for single-layer barrel vault frames via improved magnetic charged system search (IMCSS) and open application programming interface (OAPI). The IMCSS algorithm is utilized as the optimization algorithm and the OAPI is used as an interface tool between analysis software and the programming language. In the proposed algorithm, magnetic c...