基于VolSurf参数的化合物水溶性QSPR分析

利用分子的VolSurf参数预测化合物的水溶解度并阐明有利于水溶解度的主要分子结构特征.被测化合物包括185个共两大系列分子,使用偏最小二乘判别分析和多元线性回归方法在实验数据和分子特征之间建立相关性,均得到较好的结果.以70个化合物所建立的训练集模型对其余115个化合物有较好的预测能力.参数分析表明分子内较大的亲水区域对水溶解度有利;分子质心与疏水区、亲水区之间的不平衡性越高,水溶解度越大;分子量及体积大的分子对其水溶解度不利.     

(δ,ψ)-等距的稳定性

本文讨论了Banach空间之间非满射、非线性的弱等距逼近问题.在某些条件假设下,对(δ,ψ)-等距算子的稳定性给出了一些肯定的结果,从而修正并推广了文[1-4]中的一些结果.     

Open Superstring Star as a Continuous Moyal Product with B Field

In this paper, we recast the matter part of the open superstring star in the present of a constant B field. By using a different coordinate representation the matter part of the open superstring star is identified with the continuous Moyal product of functions of anti-commuting variables. Fortunately we find it does not depend on the value of the B field.     

解线性最小二乘问题的一个新并行算法

讨论了求解无约束线性最小二乘问题的一种并行单纯形法以及对它的改进算法并行共轭梯度—单纯形法 .算法本身具有很强的并行机制 ,能够充分地发挥并行机快速省时的特点 .本文也对算法做了理论分析 ,对算法的收敛性给予了证明 (在二维情形下 ) .最后做了数值实验 (由于软硬件条件的限制 ,并行算法未能在并行计算机上实现 ,鉴于这种情况 ,我们所做的数值实验均是在串行机上完成的 )     

半线性波动方程的自相似解

研究了具有非线性项|u|~αu的半线性波动方程的Cauclly问题,利用仿积分解及交换子估计等技术,证明了当α为一般的实数且满足一定的限制时,Cauchy问题自相似解的存在性。本文的结果回答了Planchon在其工作中所遗留的问题。     

CONVERGENCE OF CASCADE ALGORITHMS AND SMOOTHNESS OF REFINABLE DISTRIBUTIONS

In this paper, the author at first develops a method to study convergence of the cascade algorithm in a Banach space without stable assumption on the initial (see Theorem 2.1), and then applies the previous result on the convergence to characterizing compactly supported refinable distributions in fractional Sobolev spaces and Holder continuous spaces (see Theorems 3.1, 3.3, and 3.4). Finally the author applies the above characterization to choosing appropriate initial to guarantee the convergence of the cascade algorithm (see Theorem 4.2).     

张量对称类上诱导线性算子的数值半径

设V是一个n维线性空间,V_x~m(G)为V上的张量对称类.A为V的线性算子T的矩阵,K(A)为V_x~m(G)上的诱导线性算子K(T)的矩阵.本文从K(A)的数值半径Υ(K(A))和可分数值半径Υ_x(K(A))定义出发,研究了Υ(K(A))、Υ_x(K(A))与范数||A||_p(1≤p≤2)、广义矩阵函数d_x~G(A)的关系,得到了它们之间的两个不等式.     

求解一类非单调线性互补问题的宽邻域内点方法及其计算复杂性

对于一类非单调线性互补问题给出了一种新的算法——宽邻域内点算法，并讨论了其计算复杂性。     

Optimization of High-Order Harmonic by Genetic Algorithm for the Chirp and Phase of Few-Cycle Pulses

The brightness of a particular harmonic order is optimized for the chirp and initial phase of the laser pulse by genetic algorithm. The influences of the chirp and initial phase of the excitation pulse on the harmonic spectra are discussed in terms of the semi-classical model including the propagation effects. The results indicate that the harmonic intensity and cutoff have strong dependence on the chirp of the laser pulse, but slightly on its initial phase. The high-order harmonics can be enhanced by the optimal laser pulse and its cutoff can be tuned by optimization of the chirp and initial phase of the laser pulse.