气相色谱毛细管柱操作参数最优化探索

本文对气相色谱毛细管柱如何选择合适的柱温与载气线速进行了探讨,提出了一种在最短时间内使一种难分离物质达到预期分离的最优化方法,本法数学模型简单.实验工作量小,最优操作参数范围的估计较可靠,改变了凭经验与直觉选择分析件的传统方法,可适用于现代具有微机控制的色谱仪。     

修正PRP共轭梯度方法求解无约束最优化问题

基于著名的PRP共轭梯度方法,利用CG_DESCENT共轭梯度方法的结构,本文提出了一种求解大规模无约束最优化问题的修正PRP共轭梯度方法。该方法在每一步迭代中均能够产生一个充分下降的搜索方向,且独立于任何线搜索条件。在标准Wolfe线搜索条件下,证明了修正PRP共轭梯度方法的全局收敛性和线性收敛速度。数值结果展示了修正PRP方法对给定的测试问题是非常有效的。     

用网格搜索寻优法选择分离6种青霉素类药物的薄层色谱溶剂系统

 用网格搜索寻优法确定了分离６种青霉素类药物的薄层色谱溶剂系统。采用均匀设计法安排初始实验，借助计算机进行网格搜索寻优计算，在硅胶ＧＦ（２５４）板上成功地分离了青霉素钠、苯唑青霉素钠、磺苄青霉素钠、氨苄青霉素钠、氧哌嗪青霉素钠和羧苄青霉素钠，方法简便、有效。     

一种自适应Dai-Liao共轭梯度法

共轭梯度法是一种解决大规模无约束优化问题的重要方法.本文对Dai-Liao (DL)共轭梯度法的参数进行了研究,提出了一种新的自适应DL共轭梯度法.在适当的条件下,证明了该方法的全局收敛性.数值结果表明,我们的方法对给定的测试问题是有效的.     

中考最优化方案设计题解析

<正>中考试题中最优化方案设计问题倍受考官青睐.通过设置一个实际问题的情景.给出若干信息,运用数学知识设计恰当的解决方案,以求得最好的实用效果或最大的经济效益.具体解法可通过建立方程、不等式或函数等方法求解.下面从三个方面分析优选方案设计题目类型和解题方法.     

自动化势能面搜索方法新进展

本文简要介绍了势能面搜索的两个主要问题,即过渡态搜索和全局势能面搜索,并针对这两个问题介绍了本研究组最近发展的3种方法,即限制最小化双子算法、偏置势函数辅助限制性最小化双子算法以及势能面随机行走方法．这3种方法均只需计算一阶梯度,能够用于快速自动化的搜索过渡态以及势能面．通过几个典型例子分别说明了3种方法的特点及优势．     

多背包问题的半定松驰算法

The multiple knapsack problem denoted by MKP (B,S,rn,n) can be defined as follows. A set B of n items and a set S of rn knapsacks are given such that each item j has a profit pi and weight wj,and each knapsack i has a capacity Ci. The goal is to find a subset of items of maximum profit such that they have a feasible packing in the knapsacks. MKP (B,S,m,n) is strongly NP-Complete and no polynomial time approximation algorithm can have an approximation ratio better than 0.5. In the last ten years,semi-definite programming has been empolyed to solve some combinatorial problems successfully. This paper firstly presents a semi-definite relaxation algorithm (MKPS) for MKP (B,S,rn,n). It is proved that MKPS have a approximation ratio better than 0. 5 for a subclass of MKP (B,S,m,n) with n≤100, m≤5 and max^nj=1{wj}/min^mi=1={Ci}≤2/3.     

A CLASS OF TRUST REGION METHODS FOR LINEAR INEQUALITY CONSTRAINED OPTIMIZATION AND ITS THEORY ANALYSIS Ⅱ. LOCAL CONVERGENCE RATE AND NUMERICAL TESTS

In this paper we prove that a class of trust region methods presented in part Ⅰ is superlinearly convergent. Numerical tests are reported thereafter. Results by solving a set of typical problems selected from literatures have demonstrated that our algorithm is effective.     

Connectedness of Cone-Efficient Solution Set for Cone-Quasiconvex Multiobjective Programming in Locally Convex Spaces

This paper deals with the connectedness of the cone-efficient solution set for vector optimization inlocally convex Hausdorff topological vector spaces.The connectedness of the cone-efficient solution set is provedfor multiobjective programming defined by a continuous cone-quasiconvex mapping on a compact convex set ofalternatives.The generalized saddle theorem plays a key role in the proof.     

线性约束最优化的一个共轭投影梯度法

本结合共轭梯度法及梯度投影法的思想,建立线性等式约束最优化的一个新算法,称之为共轭投影梯度法。分别对二次凸目标函数和一般目标函数分析和论证了算法的重要性质和收敛性。