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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...

Fachgebiete / Stichwörter: Boosting (machine learning); Multiplicative function; Bounded function; Computer science; Generalization; Mathematical optimization; Decision rule; Artificial intelligence; Mathematics; Machine learning; Algorithm; Mathe...

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...