Abstract | ||
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A new algorithm, "HiER-leap" (hierarchical exact reaction-leaping), is derived which improves on the computational properties of the ER-leap algorithm for exact accelerated simulation of stochastic chemical kinetics. Unlike ER-leap, HiER-leap utilizes a hierarchical or divide-and-conquer organization of reaction channels into tightly coupled "blocks" and is thereby able to speed up systems with many reaction channels. Like ER-leap, HiER-leap is based on the use of upper and lower bounds on the reaction propensities to define a rejection sampling algorithm with inexpensive early rejection and acceptance steps. But in HiER-leap, large portions of intra-block sampling may be done in parallel. An accept/reject step is used to synchronize across blocks. This method scales well when many reaction channels are present and has desirable asymptotic properties. The algorithm is exact, parallelizable and achieves a significant speedup over the stochastic simulation algorithm and ER-leap on certain problems. This algorithm offers a potentially important step towards efficient in silico modeling of entire organisms. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4766353] |
Year | DOI | Venue |
---|---|---|
2012 | 10.1063/1.4766353 | JOURNAL OF CHEMICAL PHYSICS |
Keywords | Field | DocType |
markov chains,stochastic processes,kinetics,algorithms | Stochastic simulation,Parallelizable manifold,Rejection sampling,Upper and lower bounds,Markov chain,Stochastic process,Algorithm,Chemistry,Sampling (statistics),Speedup | Journal |
Volume | Issue | ISSN |
137 | 21 | 0021-9606 |
Citations | PageRank | References |
0 | 0.34 | 10 |
Authors | ||
2 |
Name | Order | Citations | PageRank |
---|---|---|---|
David Orendorff | 1 | 0 | 0.34 |
Eric Mjolsness | 2 | 1058 | 140.00 |