Analyzing the Complexity of Finding Good Neighborhood Functions for Local Search Algorithms

A drawback to using local search algorithms to address NP-hard discrete optimization problems is that many neighborhood functions have an exponential number of local optima that are not global optima (termed L-locals). A neighborhood function η is said to be stable if the number of L-locals is polynomial. A stable neighborhood function ensures that the number of L-locals does not grow too large as the instance size increases and results in improved performance for many local search algorithms. This paper studies the complexity of stable neighborhood functions for NP-hard discrete optimization problems by introducing neighborhood transformations. Neighborhood transformations between discrete optimization problems consist of a transformation of problem instances and a corresponding transformation of solutions that preserves the ordering imposed by the objective function values. In this paper, MAX Weighted Boolean SAT (MWBS), MAX Clause Weighted SAT (MCWS), and Zero-One Integer Programming (ZOIP) are shown to be NPO-complete with respect to neighborhood transformations. Therefore, if MWBS, MCWS, or ZOIP has a stable neighborhood function, then every problem in NPO has a stable neighborhood function. These results demonstrate the difficulty of finding effective neighborhood functions for NP-hard discrete optimization problems.This research is supported in part by the Air Force Office of Scientific Research (F49620-01-1-0007, FA9550-04-1-0110).     

Can amorphous nuclei grow crystalline clathrates? The size and crystallinity of critical clathrate nuclei

Recent studies reveal that amorphous intermediates are involved in the formation of clathrate hydrates under conditions of high driving force, raising two questions: first, how could amorphous nuclei grow into crystalline clathrates and, second, whether amorphous nuclei are intermediates in the formation of clathrate crystals for temperatures close to equilibrium. In this work, we address these two questions through large-scale molecular simulations. We investigate the stability and growth of amorphous and crystalline clathrate nuclei and assess the thermodynamics and kinetic factors that affect the crystallization pathway of clathrates. Our calculations show that the dissociation temperature of amorphous clathrates is just 10% lower than for the crystals, facilitating the formation of metastable amorphous intermediates. We find that, at any temperatures, the critical crystalline nuclei are smaller than critical amorphous nuclei. The temperature dependence of the critical nucleus size is well described by the Gibbs-Thomson relation, from which we extract a liquid-crystal surface tension in excellent agreement with experiments. Our analysis suggests that at high driving force the amorphous nuclei may be kinetically favored over crystalline nuclei because of lower free energy barriers of formation. We investigated the role of the initial structure and size of the nucleus on the subsequent growth of the clathrates, and found that both amorphous and sI crystalline nuclei yield crystalline clathrates. Interestingly, growth of the metastable sII crystal polymorph is always favored over the most stable sI crystal, revealing kinetic control of the growth and indicating that a further step of ripening from sII to sI is needed to reach the stable crystal phase. The latter results are in agreement with the observed metastable formation of sII CO(2) and CH(4) clathrate hydrates and their slow conversion to sI under experimental conditions.     

Analytical results in transient brush tyre models: theory for large camber angles and classic solutions with limited friction

Meccanica - This paper establishes new analytical results in the mathematical theory of brush tyre models. In the first part, the exact problem which considers large camber angles is analysed from...     

Die Analyse des raffinierten Zinns

Ohne Zusammenfassung