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

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Randomization and Approximation Techniques in Computer Science (RANDOM 1997)

Part of the book series: Lecture Notes in Computer Science ((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.

Supported in part by DFG Grant SFB408. Part of this research was done during the first author's stay at the International Computer Science Institute, Berkeley.

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References

  1. D. Aldous and U. Vazirani. “Go with the winners” algorithms. In Proceedings 35th IEEE Symposium on the Foundations of Computer Science, 1994.

    Google Scholar 

  2. A. Berretti and A. Sokal. New monte carlo method for the self avoiding walk. Journal of Statistical Physics, 40:483–531, 1985.

    Google Scholar 

  3. P. L. Dobrushin. The description of a random field by means of conditional probabilities and conditions of its regularity. Theory of Probability and its Applications, 8(2):197–224, 1968.

    Google Scholar 

  4. S. Elliot. Physics of Amorphous Materials. Longman, 1990.

    Google Scholar 

  5. M. R. Garey and D. S. Johnson. Computers and Intractability: a guide to the theory of NP-completeness. W. H. Freeman, 1979.

    Google Scholar 

  6. L. Goldberg and M. Jerrum. Randomly sampling molecules. In Proc. of the 8th Annual ACM-SIAM Symposium on Discrete Algorithms, 1997.

    Google Scholar 

  7. P. Grassberger. The pruned-enriched rosenbluth method: Simulations of theta-polymers of chain length up to 1,000,000. Manuscript, 1996.

    Google Scholar 

  8. B. Hendrickson. Conditions for unique graph embeddings. Technical Report 88–950, Cornell University, Department of Computer Science, 1988.

    Google Scholar 

  9. M. Jerrum, L. Valiant, and V. Vazirani. Random generation of combinatorial structures from a uniform distribution. Theoretical Computer Science, 43:169–188, 1986.

    Google Scholar 

  10. L. A. Levin. Universal sorting problems. Problemy Peredachi Informatsii, 9(3):265–266, 1973. In Russian.

    Google Scholar 

  11. L. A. Levin. Average case complete problems. SIAM Journal on Computing, 15:285–286, 1986.

    Google Scholar 

  12. Dana Randall and Alistair Sinclair. Testable algorithms for self-avoiding walks. In Proceedings of the Fifth Annual ACM-SIAM Symposium on Discrete Algorithms, pages 593–602, Philadelphia, Pennsylvania, 23–25 January 1994.

    Google Scholar 

  13. J. Saxe. Two papers on graph embedding problems. Technical Report CMUCS-80-102, Carnegie-Mellon University, Department of Computer Science, 1979.

    Google Scholar 

  14. A. N. Shiryayev. Probability. Springer-Verlag, 1984.

    Google Scholar 

  15. A. Sinclair. Algorithms For Random Generation And Counting. Progress In Theoretical Computer Science. Birkhauser, Boston, 1993.

    Google Scholar 

  16. A. Sinclair and M. Jerrum. Approximate counting, uniform generation and rapidly mixing Markov chains. Information and Computation, 82:93–133, 1989.

    Google Scholar 

  17. D. J. A. Welsh. Complexity: Knots, Colourings and Knots. Cambridge University Press, 1993.

    Google Scholar 

  18. Y. Yemini. Some theoretical aspects of position-location problems. In Proceedings 20th IEEE Symposium on the Foundations of Computer Science, 1979.

    Google Scholar 

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José Rolim

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© 1997 Springer-Verlag Berlin Heidelberg

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Peinado, M., Lengauer, T. (1997). ‘Go with the winners’ generators with applications to molecular modeling. In: Rolim, J. (eds) Randomization and Approximation Techniques in Computer Science. RANDOM 1997. Lecture Notes in Computer Science, vol 1269. Springer, Berlin, Heidelberg. https://doi.org/10.1007/3-540-63248-4_12

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  • DOI: https://doi.org/10.1007/3-540-63248-4_12

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  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-63248-1

  • Online ISBN: 978-3-540-69247-8

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