Interpolatory integration rules and orthogonal polynomials with varying weights

We investigate which types of asymptotic distributions can be generated by the knots of convergent sequences of interpolatory integration rules. It will turn out that the class of all possible distributions can be described exactly, and it will be shown that the zeros of polynomials that are orthogonal with respect to varying weight functions are good candidates for knots of integration rules with a prescribed asymptotic distribution.Research supported by the Deutsche Forschungsgemeinschaft (AZ: Sta 299/4-2).     

Randomized UMD Banach spaces and decoupling inequalities for stochastic integrals

In this paper we prove the equivalence of decoupling inequalities for stochastic integrals and one-sided randomized versions of the UMD property of a Banach space as introduced by Garling.

     

明中叶荆襄流民运动与三峡社会发展

明中叶两次荆襄流民起义打乱了川楚陕豫四省社会秩序,石龙率领的义军转战三峡地区,攻占巫山、大昌县城,杀夔州通判王祯,取得辉煌胜利。明朝派员抚治流民,郧阳府的设置,完善了区域社会管理体制;山区经济的开发,促进了区域社会的和谐发展。     

Matrix Lax Polynomials, Geometry of Prym Varieties and Systems of Hess–Appel’rot Type

We consider a four-dimensional generalization of Hess–Appel’rot system and costruct its Lax pair. Both classical and algebro-geometric integration procedure are proceeded. The algebro-geometric integration is based on deep facts from geometry of Prym varieties such as the Mumford relation and Mumford-Dalalyan theory. The integration is similar to the integration of Lagrange bitop which has recetly been performed by the authors.     

广西区域开放测度与对外开放战略

通过对2000年广西区域开放度的度量和横向比较,以及20世纪90年代广西区域开放度的变动趋势纵向分析表明:广西对外开放度总体居于全国中等水平,并呈现出波动趋势,广西对外开放的质量亟待于进一步提高。在新的历史时期,广西必须抓住机遇,积极实施对外开放战略。     

传统文化与城市的重构及整合研究

通过对传统文化与城市的重构、整合相互关系的历史研究,从中发掘城市发展的文化脉络,指出传统文化格局的变迁,表现在意识形态领域,落后文化吸纳先进文化,促进城市形态的变更。在城市的重构、整合方面,旨在为现代的城市设计提供可鉴之路。     

粘结平面对称分叉裂纹的奇异积分方程数值解

本文对一个含分叉裂纹的弹性半平面与另一不同材料的半平面粘结的问题用复势方法化为一组三个复Caucby型奇异积分方程。采用修正的Gauss-Legendre和修正的Lobatto-Legendre数值求积法则化成一代数方程组,裂纹尖端的应力强度因子值可从代数方程组的解求得。本文计算得到了弹性半平面、刚体与弹性半平面相粘结、两种不同材料的弹性半平面相粘结的三种问题的几种几何形状的对称分叉裂纹的应力强度因子。本文的结果扩充了“应力强度因子手册”的内容。     

几种改进的CoMFA方法比较研究血小板活化因子拮抗剂

由于传统的比较分子场分析(CoMFA)方法本身存在一些缺陷，使得分子的叠合 规则以及叠合分子的空间取向和空间位置等因素对q~2的影响很大，因此相继提出 了几种改进的CoMFA方法。为了优化CoMFA结果，应用传统的CoMFA方法和交叉验证 的R~2引导的区域选择法(q~2-GRS)、全取向搜索法（AOS）、全空间搜索法（APS） 以及比较分子相似性指数(CoMSIA)等四种改进的CoMFA方法，对18个pinusolide类 衍生物这类新发现的血小板活化因子（PAF）拮抗剂进行了比较研究。结果表明四 种改进的CoMFA方法得到的q~2值均比传统CoMFA的高。q~2-GRS方法得到的q~2值有 所提高，但综合结果并不理想，AOS与APS得到的q~2较为理想，而在CoMSIA中， q~2几乎不受空间取向或空间位置的影响。同时我们引人基于样本的偏最小二乘法 （SAMPLS）取代原AOS／APS程序中的传统PLS进行统计分析，明显提高了其运行速 度。最后，根据q~2最高的CoMFA模型和CoMSIA模型设计了几个预测活性更高的 pinusolide类似物。     

A method for selection and use of numerical integration points for molecules with cylindrical symmetry

Boys and Handy [1] have discussed the solution of the bivariational equations with restricted numerical integration. One of the weaknesses of the method was that in the numerical summations over points, some points arose with r _ij= 0 and non-zero weights. This makes the method quite impractical for the Schrodinger Hamiltonian (because of the singularity at r _ij= 0), and it cannot be advantageous for the transcorrelated Hamiltonian C^–1HC because there will be some discontinuous higher derivatives at r _ij=0. Here it is shown how the symmetry of cylindrically symmetric molecules can be used to eliminate such points, without losing any of the advantages of the overall method, such as the convergence of the eigensolutions. It is also shown how the primary numerical integration points (z _i, r_i) may be chosen in any calculation such that each is associated with an equal amount of one-electron density. The choice of the angular coordinates are governed by the removal of the r _ij=0 points and maintaining the natural orthogonality between orbitals of different symmetry types. The method has been programmed and found to be practical, although no new molecular calculations have yet been performed. It is to be hoped that these points will give a basis for new transcorrelated calculations on diatomic molecules.This paper was presented during the session on numerical integration methods for molecules of the 1970 Quantum Theory Conference in Nottingham. It has been revised in the light of the interesting discussion which followed.     

predForm-Site: Formylation site prediction by incorporating multiple features and resolving data imbalance

Formylation is one of the newly discovered post-translational modifications in lysine residue which is responsible for different kinds of diseases. In this work, a novel predictor, named predForm-Site, has been developed to predict formylation sites with higher accuracy. We have integrated multiple sequence features for developing a more informative representation of formylation sites. Moreover, decision function of the underlying classifier have been optimized on skewed formylation dataset during prediction model training for prediction quality improvement. On the dataset used by LFPred and Formator predictor, predForm-Site achieved 99.5% sensitivity, 99.8% specificity and 99.8% overall accuracy with AUC of 0.999 in the jackknife test. In the independent test, it has also achieved more than 97% sensitivity and 99% specificity. Similarly, in benchmarking with recent method CKSAAP_FormSite, the proposed predictor significantly outperformed in all the measures, particularly sensitivity by around 20%, specificity by nearly 30% and overall accuracy by more than 22%. These experimental results show that the proposed predForm-Site can be used as a complementary tool for the fast exploration of formylation sites. For convenience of the scientific community, predForm-Site has been deployed as an online tool, accessible at http://103.99.176.239:8080/predForm-Site.