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Incorporating postleap checks in tau-leaping

J. Chem. Phys. 128, 054103 (2008); doi:10.1063/1.2819665

Published 5 February 2008

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David F. Anderson
Department of Mathematics, University of Wisconsin-Madison, Madison, Wisconsin 53706, USA
By explicitly representing the reaction times of discrete chemical systems as the firing times of independent, unit rate Poisson processes, we develop a new adaptive tau-leaping procedure. The procedure developed is novel in that accuracy is guaranteed by performing postleap checks. Because the representation we use separates the randomness of the model from the state of the system, we are able to perform the postleap checks in such a way that the statistics of the sample paths generated will not be biased by the rejections of leaps. Further, since any leap condition is ensured with a probability of one, the simulation method naturally avoids negative population values. ©2008 American Institute of Physics
History: Received 6 July 2007; accepted 7 November 2007; published 5 February 2008
Permalink: http://link.aip.org/link/?JCPSA6/128/054103/1
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KEYWORDS and PACS

Keywords
PACS
  • 82.20.Uv
    Stochastic theories of rate constants in chemical kinetics
  • 82.20.Db
    Transition state theory and statistical theories of rate constants (chemical kinetics)
  • YEAR: 2008

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PUBLICATION DATA

ISSN:
0021-9606 (print)   1089-7690 (online)
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REFERENCES (18)

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  1. D. T. Gillespie, J. Comput. Phys. 22, 403 (1976).
  2. D. T. Gillespie, J. Phys. Chem. 81, 2340 (1977).
  3. H. Andersson and T. Britton, Stochastic Epidemic Models and Their Statistical Analysis (Springer, New York, NY, 2000).
  4. D. F. Anderson, J. Chem. Phys. 127, 214107 (2007).
  5. K. Ball, T. G. Kurtz, L. Popovic, and G. Rempala, Ann. Appl. Probab. 16, 1925 (2006).
  6. S. N. Ethier and T. G. Kurtz, Markov Processes: Characterization and Convergence (Wiley, New York, 1986).
  7. T. G. Kurtz, Stochastic Proc. Appl. 6, 223 (1978).
  8. M. Gibson and J. Bruck, J. Phys. Chem. A 105, 1876 (2000).
  9. A. Arkin, J. Ross, and H. H. McAdams, Genetics 149, 1633 (1998).
  10. H. H. McAdams and A. Arkin, Proc. Natl. Acad. Sci. U.S.A. 94, 814 (1997).
  11. E. M. Ozbudak, M. Thattai, I. Kurtser, A. D. Grossman, and A. van Oudenaarden, Nat. Genet. 31, 69 (2002).
  12. H. E. Samad, M. Khammash, L. Petzold, and D. Gillespie, Int. J. Robust Nonlinear Control 15, 691 (2005).
  13. D. T. Gillespie, J. Chem. Phys. 115, 1716 (2001).
  14. Y. Cao, D. T. Gillespie, and L. R. Petzold, J. Chem. Phys. 124, 044109 (2006).
  15. Y. Cao, D. T. Gillespie, and L. R. Petzold, J. Chem. Phys. 123, 054104 (2005).
  16. T. Tian and K. Burrage, J. Chem. Phys. 121, 10356 (2004).
  17. A. Chatterjee and D. G. Vlachos, J. Chem. Phys. 122, 024112 (2005).
  18. D. T. Gillespie and L. R. Petzold, J. Chem. Phys. 119, 8229 (2003).

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