A quadratic assignment formulation of the molecular conformation problem

The molecular conformation problem is discussed, and a concave quadratic global minimization approach for solving it is described. This approach is based on a quadratic assignment formulation of a discrete approximation to the original problem.     

Accelerations for global optimization covering methods using second derivatives

Two improvements for the algorithm of Breiman and Cutler are presented. Better envelopes can be built up using positive quadratic forms. Better utilization of first and second derivative information is attained by combining both global aspects of curvature and local aspects near the global optimum. The basis of the results is the geometric viewpoint developed by the first author and can be applied to a number of covering type methods. Improvements in convergence rates are demonstrated empirically on standard test functions.Partially supported by an University of Canterbury Erskine grant.     

A parallel method for finding the global minimum of univariate functions

We describe a new parallel method for solving global optimization problems. The formulation of the decision rules of this method is presented. We examine convergence conditions of the proposed algorithm and establish conditions which guarantee a considerable speedup with respect to the sequential version of the algorithm. We also present some numerical experiments executed on Alliant FX/80 for one class of multiextremal functions.The authors are greatly indebted to R. G. Strongin who stimulated the fulfillment of this research. They also would like to thank the anonymous referees for their useful suggestions.The research of the first author was partially supported by Grant 9494/NC/89 from the Italian Government under the Italian-Soviet Agreement about the Cultural and Scientific Exchange in 1990–1991. He thanks the Systems Department, University of Calabria, where he was a Visitor.     

On a new stochastic global optimization algorithm based on censored observations

In this paper a new algorithm is proposed for global optimization problems. The main idea is that of modifying a standard clustering approach by sequentially sampling the objective function while adaptively deciding an appropriate sample size. Theoretical as well as computational results are presented.     

Cord-slope form of Taylor's expansion in univariate global optimization

Interval arithmetic and Taylor's formula can be used to bound the slope of the cord of a univariate function at a given point. This leads in turn to bounding the values of the function itself. Computing such bounds for the function, its first and second derviatives, allows the determination of intervals in which this function cannot have a global minimum. Exploiting this information together with a simple branching rule yields an efficient algorithm for global minimization of univariate functions. Computational experience is reported.The first and second authors have been supported by FCAR (Fonds pour la Formation de Chercheurs et l'Aide à la Recherche) Grant 92EQ1048 and AFOSR Grant 90-0008 to Rutgers University. The first author has also been supported by NSERC (Natural Sciences and Engineering Research Council of Canada) Grant to HEC and NSERC Grant GP0105574. The second author has been supported by NSERC Grant GP0036426, FCAR Grant 90NC0305, and a NSF Visiting Professorship for Women in Science at Princeton University. Work of the third author was done in part while he was a graduate student at the Department of Mathematics, Rutgers University, New Brunswick, New Jersey, USA and during a visit to GERAD, June–August 1991.     

Navier－Stokes方程组的一个一致有效渐近解

本文利用多重尺度法[1,2]研究了大雷诺数情况下的平板绕流问题,得到了Navier-Stokes方程的一个一致有效渐近解。     

非线性密度制约的Ⅱ类功能反应系统的定性分析

本文对具有非线性密度制约的Ⅱ类功能反应系统进行了定性分析,给出了平衡点全局渐近稳定和存在极限环的充分条件及生态解释,所得结果就其参数空间和相空间而言都是大范围的。     

用遗传算法研究Con(n=3-60)团簇的结构特性

我们采用半经验的Gupta多体势结合遗传算法,系统地研究了Con(n=3-60)团簇的几何结构特性.我们发现在钴团簇的生长中存在一个类fcc构型与类Ih构型之间的竞争,从n=39开始,钴团簇呈现出明显的Ih生长模式.Con(n=3-60)团簇的幻数为13,19,23,38,55,结合钴团簇的平均最近邻原子间距和平均配位数,分析了钴团簇幻数序列存在的原因.我们发现团簇内部原子具有增强团簇对称性和加强团簇稳定性的显著作用.     

量子卡诺循环

以经典理想气体为工质的卡诺热机循环由两个等温和两个绝热过程构成,热机可逆时,它的效率为最大。本文建立一种量子卡诺热机循环模型,该量子卡诺热机循环以一维无限深势阱中极端相对论粒子系统为工质。通过分析,发现该量子卡诺热机循环中的等温和绝热过程和经典卡诺热机的等温和绝热过程具有相似之处,它的效率表达式和经典热力学的可逆卡诺热机的效率表达式也类似,只是用系统的哈密顿量的期望值即系统的能量平均值代替经典热力学中的温度。     

复杂势场量子弹球中疤痕态的量子化条件

量子疤痕是波函数在经典不稳定周期轨道周围反常凝聚的一种量子或波动现象.人们对疤痕态的量子化条件进行了大量研究,对深入理解半经典量子化起到了一定的促进作用.之前大部分研究工作主要集中在硬墙量子弹球上,即给定边界形状的无穷深量子势阱系统.本文研究具有光滑复杂势场的二维量子弹球系统,考察疤痕态的量子化条件及其重复出现的规律,得到了与硬墙弹球不一样的结果,对理解这类现象是一个有益的补充.这些结果将有助于理解具有无规长程杂质分布的二维电子系统的态密度谱和输运行为.