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No free lunch theorems for optimization
Article
Article
No free lunch theorems for optimization
David H. Wolpert; William G. Macready · IEEE Transactions on Evolutionary Computation · 1997
A framework is developed to explore the connection between effective optimization algorithms and the problems they are solving. A number of "no free lunch" (NFL) theorems are presented which establish that for any algori...
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A Decision-Theoretic Generalization of On-Line Learning and an Application to Boosting
Article
Article
A Decision-Theoretic Generalization of On-Line Learning and an Application to Boosting
Yoav Freund; Robert E. Schapire · Journal of Computer and System Sciences · 1997
Subjects / keywords: Boosting (machine learning); Multiplicative function; Bounded function; Computer science; Generalization; Mathematical optimization; Decision rule; Artificial intelligence; Mathematics; Machine learning; Algorithm; Mathe...
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LINCS: A linear constraint solver for molecular simulations
Article
Article
LINCS: A linear constraint solver for molecular simulations
Berk Hess; Henk Bekker; Herman J. C. Berendsen; J. G. E. M. Fraaije · Journal of Computational Chemistry · 1997
In this article, we present a new LINear Constraint Solver (LINCS) for molecular simulations with bond constraints. The algorithm is inherently stable, as the constraints themselves are reset instead of derivatives of th...
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