‘Go with the winners’ generators with applications to molecular modeling

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Abstract

A generation problem is the problem of generating an element of a (usually exponentially large) set under a given distribution. We develop a method for the design of generation algorithms which is based on the ‘go with the winners’ algorithm of Aldous and Vazirani [AV94]. We apply the scheme to two concrete problems from computational chemistry: the generation of models of amorphous solids and of certain kinds of polymers.

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Peinado, M., & Lengauer, T. (1997). ‘Go with the winners’ generators with applications to molecular modeling. In Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics) (Vol. 1269, pp. 135–149). Springer Verlag. https://doi.org/10.1007/3-540-63248-4_12

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