计算7Li2振动能级煌振动-转动能级的辛格式矩阵法

利用辛格式矩阵法计算了双原子分子⁷Li₂在A¹Σ_u⁺态的振动能级和振动-转动能级,并与Ley-Koo等的计算结果作了比较.结果显示,辛格式矩阵法是收敛的和可靠的,是计算双原子分子的振动能级和振动-转动能级的合理的数值方法.     

基于遗传算法和分布式计算的气动优化设计

采用求解NS方程作为气动优化设计的CFD分析方法,为了提高基于遗传算法的气动优化设计的效率,发展了一种基于分布式并行计算的混合遗传算法,并应用该方法进行了气动优化设计.设计实践表明,该方法是可行的,且由于采用了混合遗传算法和分布式并行计算而提高了优化的质量和效率.     

基于连续投影算法的光谱主成分组合优化方法研究

应用连续投影算法(successive projections algorithm, SPA)选择由主成分分析(principal component analysis,PCA)得到主成分的最佳组合。首先对奶粉的短波近红外光谱进行PCA分析, 然后通过SPA得到的脂肪和蛋白质含量预测最佳主成分组合分别为主成分1,2,4,5,6和7以及主成分1,2,3,4,5和8。通过最小二乘支持向量机(Least-squares support vector machine, LS-SVM)对奶粉中脂肪和蛋白质含量进行预测, SPA选择得到的主成分组合均优于分别采用前4个到前8个主成分。 基于SPA得到的主成分组合得到脂肪含量预测结果的确定系数(R2p),预测误差均方根(root mean square error for prediction, RMSEP)和剩余预测偏差(residual predictive deviation, RPD)分别为0.989 0,0.170 3和9.534 3。而蛋白质含量预测结果的R2p,RMSEP和RPD分别为0.987 6,0.134 8和8.927 4。说明SPA能够用于快速有效选取最佳的主成分数, 寻优过程简单快速,并且不用对大量参数进行调试。     

半无限规划问题的一个有效解法

1．引言在计算机辅助设计和工程设计中,经常遇到下面的两类优化问题1,2］．1．无约束半无限极大极小问题．其中外x）二——x。。Im。x。。。Yi夕（x;N）这里J二（】,2,·,｝对任何7E八岁：R－xR”。＋R是连续可微的函数,X是R”。中的一个紧子集,且VYj）一O,这里问h）表示X体积．2．约束半无限代化问题．其中I一（1,2,·．小记L二《0｝UI对任何jCL冲’（x）一max。。。Yi夕（x,yi）·这里拉：PX＊n＋R是连续可微函数,X是”。中的一个紧子集,且NU）一0·注．设Y（Z,一二切EyW一叫卜4．今后对本文用到的紧子集地做…     

On the optimum capacity of capacity expansion problems

In this paper we consider problems of the following type: Let E = { e ₁, e ₂,..., e _n } be a finite set and be a family of subsets of E. For each element e _i in E, c _i is a given capacity and _i is the cost of increasing capacity c _i by one unit. It is assumed that we can expand the capacity of each element in E so that the capacity of family can be expanded to a level r. For each r, let f (r) be the efficient function with respect to the capacity r of family , and be the cost function for expanding the capacity of family to r. The goal is to find the optimum capacity value r ^* and the corresponding expansion strategy so that the pure efficency function is the largest. Firstly, we show that this problem can be solved efficiently by figuring out a series of bottleneck capacity expansion problem defined by paper (Yang and Chen, Acta Math Sci 22:207–212, 2002) if f (r) is a piecewise linear function. Then we consider two variations and prove that these problems can be solved in polynomial time under some conditions. Finally the optimum capacity for maximum flow expansion problem is discussed. We tackle it by constructing an auxiliary network and transforming the problem into a maximum cost circulation problem on the auxiliary network.     

基于贝叶斯多元有序probit模型的休闲渔业游客满意度研究

游客满意度是休闲渔业景区制定管理决策的重要参考信息。通过探究游览过程中游客对各单一维度的满意程度与旅游总满意度之间的关系,管理者可以从中准确了解游客偏好、消费行为以及获取旅游产品设计等重要信息。据此,本文采取实地调研,获取11家全国休闲渔业示范基地1510份游客满意度信息,使用马尔科夫链蒙特卡洛法(Markov Chain Monte Carlo, MCMC),估算贝叶斯多元有序probit模型,并利用模型后验结果衡量休闲渔业游客7种分满意度对总体满意度的贡献。研究结果表明:渔憩体验满意度、景区环境满意度以及旅游餐饮满意度是对总体满意度影响程度最大的三种分满意度,所占比例分别为43.58%、24.67%、10.62%。     

A method for calibration and validation subset partitioning

This paper proposes a new method to divide a pool of samples into calibration and validation subsets for multivariate modelling. The proposed method is of value for analytical applications involving complex matrices, in which the composition variability of real samples cannot be easily reproduced by optimized experimental designs. A stepwise procedure is employed to select samples according to their differences in both x (instrumental responses) and y (predicted parameter) spaces. The proposed technique is illustrated in a case study involving the prediction of three quality parameters (specific mass and distillation temperatures at which 10 and 90% of the sample has evaporated) of diesel by NIR spectrometry and PLS modelling. For comparison, PLS models are also constructed by full cross-validation, as well as by using the Kennard-Stone and random sampling methods for calibration and validation subset partitioning. The obtained models are compared in terms of prediction performance by employing an independent set of samples not used for calibration or validation. The results of F-tests at 95% confidence level reveal that the proposed technique may be an advantageous alternative to the other three strategies.     

基于遗传算法的半刚性连接钢框架设计

采用基于小生镜技术的遗传算法,对半刚性连接钢框架进行优化设计,针对其早熟现象和局部搜索能力差的缺点改进遗传算法。使用自适应策略改进交叉与变异算子。建立半刚性连接钢框架优化设计数学模型,编制了基于遗传算法的优化设计程序。运用这一优化算法可以直接从型钢截面表中选取截面,并在优化设计过程中考虑了连接可变性和二阶效应的影响。通过几个设计实例表明,考虑几何非线性会使用钢量增加,有支撑的情况下,半刚性连接较刚接用钢量经济。     

弯管结构塑性极限分析的数值方法及应用

从塑性极限分析数值计算的角度,分析了多组载荷联合作用下弯管结构的塑性极限承载能力。为了克服塑性极限上限分析中目标函数非线性非光滑所导致的数值困难,提出了一种弯管结构塑性极限上限分析的无搜索优化迭代算法;采用一种改进的弯管单元并利用加载路径的径向射求解方案处理多组载荷系统。通过对典型弯管结构进行塑性极限分析得出了一些有价值的结论。     

几种约束广义逆矩阵的有限算法

1引言与引理众所周知，关于非奇异方阵的正则逆的有限算法是由Faddeev大给在1949年之前提出的，这就是著名的Faddeev算法[1，P…334-336]。自从五十年代中期广义逆矩阵的研究复兴与发展以来，有不少学者提出了关于广义逆矩阵的有限算法。第一个给出关于广义逆矩