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JCC
2007
151views more  JCC 2007»
15 years 6 months ago
New parallel algorithm for MP2 energy gradient calculations
Abstract: A new parallel algorithm has been developed for calculating the analytic energy derivatives of full accuracy second order Møller-Plesset perturbation theory (MP2). Its m...
Kazuya Ishimura, Peter Pulay, Shigeru Nagase
TNN
2008
97views more  TNN 2008»
15 years 6 months ago
Training Hard-Margin Support Vector Machines Using Greedy Stagewise Algorithm
Hard-margin support vector machines (HM-SVMs) suffer from getting overfitting in the presence of noise. Soft-margin SVMs deal with this problem by introducing a regularization term...
Liefeng Bo, Ling Wang, Licheng Jiao
TNN
2008
105views more  TNN 2008»
15 years 6 months ago
Generalized Linear Discriminant Analysis: A Unified Framework and Efficient Model Selection
Abstract--High-dimensional data are common in many domains, and dimensionality reduction is the key to cope with the curse-of-dimensionality. Linear discriminant analysis (LDA) is ...
Shuiwang Ji, Jieping Ye
JCT
2007
99views more  JCT 2007»
15 years 6 months ago
Independence for partition regular equations
A matrix A is said to be partition regular (PR) over a subset S of the positive integers if whenever S is finitely coloured, there exists a vector x, with all elements in the sam...
Imre Leader, Paul A. Russell
JNS
2007
68views more  JNS 2007»
15 years 6 months ago
Single Droplet Pattern in the Cylindrical Phase of Diblock Copolymer Morphology
The Ohta-Kawasaki density functional theory of diblock copolymers gives rise to a nonlocal free boundary problem. Under a proper condition between the block composition fraction a...
X. Ren, J. Wei