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

  • Marcus Peinado
  • Thomas Lengauer
Algorithms
Part of the Lecture Notes in Computer Science book series (LNCS, volume 1269)

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.

Keywords

Markov Chain Problem Instance Target Distribution Output Distribution Amorphous Solid 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Springer-Verlag Berlin Heidelberg 1997

Authors and Affiliations

  • Marcus Peinado
    • 1
  • Thomas Lengauer
    • 1
  1. 1.Institute for Algorithms and Scientific ComputingGerman National Research Center for Information Technology (GMD)Sankt AugustinGermany

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