Structural properties of a family of hydrogen-bonded co-crystals formed between gemfibrozil and hydroxy derivatives of t-butylamine, determined directly from powder X-ray diffraction data

We report the formation and structural properties of co-crystals containing gemfibrozil and hydroxy derivatives of t-butylamine H₂NC(CH₃)_3−n(CH₂OH)_n, with n=0, 1, 2 and 3. In each case, a 1:1 co-crystal is formed, with transfer of a proton from the carboxylic acid group of gemfibrozil to the amino group of the t-butylamine derivative. All of the co-crystal materials prepared are polycrystalline powders, and do not contain single crystals of suitable size and/or quality for single crystal X-ray diffraction studies. Structure determination of these materials has been carried out directly from powder X-ray diffraction data, using the direct-space Genetic Algorithm technique for structure solution followed by Rietveld refinement. The structural chemistry of this series of co-crystal materials reveals well-defined structural trends within the first three members of the family (n=0, 1, 2), but significantly contrasting structural properties for the member with n=3.     

一类线性方程组的求解及其并行算法

本文对由子结构法来逼近偏微分方程所得到的一类线性方程组给出了一个求解方法,并就其平行性的实现进行了分析和讨论。     

Search space pruning and global optimisation of multiple gravity assist spacecraft trajectories

We introduce and describe the Multiple Gravity Assist problem, a global optimisation problem that is of great interest in the design of spacecraft and their trajectories. We discuss its formalization and we show, in one particular problem instance, the performance of selected state of the art heuristic global optimisation algorithms. A deterministic search space pruning algorithm is then developed and its polynomial time and space complexity derived. The algorithm is shown to achieve search space reductions of greater than six orders of magnitude, thus reducing significantly the complexity of the subsequent optimisation. This work was partially funded under the Ariadna scheme of the European Space Agency, contract number 18138/04/NL/MV.     

带鳍通道性能的遗传算法优化

与光滑通道相比,带鳍通道有更高的传热系数,附加的鳍,极大地增强了通道的传热.然而,传热的增强又与压降的升高相关联,这又导致泵动力需求的增加,因此应该寻求对该系统的优化设计.该文的主要目的是,通过如下方式来精确地确定鳍的位置和尺寸:利用遗传算法实现最小压降时达到最优传热.鳍的每种布局作为问题(遗传算法中的一个个体)的一个解.通常,首先随机地产生一个初始种群,然后该算法在所有这些解中搜索,利用布局函数迭代出新解,最后得到鳍的优化设计.     

一种最短路问题的遗传算法求解

针对最短路径问题,在分析传统遗传算法不足的基础上提出了变长染色体遗传算法(ClvGA),详细论叙了其编码、基因插入(删除、变异)算子的设计,最后通过两个网络对ClvGA进行了实验仿真,结果表明:该方法在最短路径问题上表现出较好的鲁棒性.     

The Levels-Recursive Algorithm for Vector Valued Interpolants by Triple Branched Continued Fractions

1 Introduction Let Πl,m,n be a set of points in three dimensional space R3, Πl,m,n = {(xi, yj, zk), i = 0, 1, · · · l; j = 0, 1, · · · m; k = 0, 1, · · · n}. Let a d?dimensional vector vi,j,k be given at every point (xi, yj, zk) ∈ Πl,m,n and     

Approximation with polynomial kernels and SVM classifiers

This paper presents an error analysis for classification algorithms generated by regularization schemes with polynomial kernels. Explicit convergence rates are provided for support vector machine (SVM) soft margin classifiers. The misclassification error can be estimated by the sum of sample error and regularization error. The main difficulty for studying algorithms with polynomial kernels is the regularization error which involves deeply the degrees of the kernel polynomials. Here we overcome this difficulty by bounding the reproducing kernel Hilbert space norm of Durrmeyer operators, and estimating the rate of approximation by Durrmeyer operators in a weighted L¹ space (the weight is a probability distribution). Our study shows that the regularization parameter should decrease exponentially fast with the sample size, which is a special feature of polynomial kernels. Dedicated to Charlie Micchelli on the occasion of his 60th birthday Mathematics subject classifications (2000) 68T05, 62J02. Ding-Xuan Zhou: The first author is supported partially by the Research Grants Council of Hong Kong (Project No. CityU 103704).     

基于代数等价变换下的凸二次规划不可行内点算法

基于代数等价变换和在KMM算法的框架基础上,在原始-对偶内点方法的牛顿方程里嵌入一种自调节功能.从而对凸二次规划提出了一种新的迭代方向的不可行内点算法,并证明了算法的全局收敛性.     

关于排序模型1｜·｜ri≥0｜ ∑n i=1 to n vi的注记

设J={J1,…,Jn}是n个工件的集合,M是一台机器.每个工件Ji要在机器M上加工一次,而且是相继只加工一次,即加工不能够中断.Ji的加工时间是pi,准备时间是ri,即Ji不能在ri之前加工,要求完工的期限是di,即工件Ji的加工应该在di之前完成.否则,这个工件将被拒绝放在一旁.我们的目的是寻找排序算法A,当使用到给定的J上时,使被拒绝的工件个数为最少. 1978年Kise，Ibaraki，Mine等在条件ri〈rj蕴涵di≤dj（对于任何1≤i，j≤n）下，对于任何给定的J找到算法A他们在论文[1]中“证明”算法A是最优算法．最近，李杉林给出一个例子说明他们的证明中的一个关键引理是错误的．本文作者在书[2]中也沿用了这个错误的“证明”．对于算法A的最优性，本文给出一个新的简单的证明．