A shift and invert reorthogonalization Arnoldi algorithm for solving the chemical master equation

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摘要

The shift and invert Arnoldi (SIA) method is a numerical algorithm for approximating the product of Toeplitz matrix exponential with a vector. In this paper, we extend the SIA method to chemical master equation (CME) and propose a SIA algorithm based on the strategy of reorthogonalization (SIRA). We establish a theoretical error of the resulting approximation of SIRA algorithm. Numerical experiments show that the SIRA algorithm is more efficient than the Krylov FSP algorithm in terms of finite models, and the error estimate can be used to determine whether this result obtained by SIRA algorithm is acceptable or not.

论文关键词:Shift and invert Arnoldi method,Chemical master equation,Krylov FSP algorithm,Reorthogonalization,Theoretical error estimates

论文评审过程:Received 20 July 2018, Revised 30 November 2018, Accepted 12 December 2018, Available online 28 December 2018, Version of Record 28 December 2018.

论文官网地址:https://doi.org/10.1016/j.amc.2018.12.021