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Adaptive Finite State Projection with Quantile-Based Pruning for Solving the Chemical Master Equation

Published: April 3, 2025 | arXiv ID: 2504.03070v1

By: Aditya Dendukuri, Linda Petzold

Potential Business Impact:

Makes computer models of tiny things faster.

Business Areas:
Quantum Computing Science and Engineering

We present an adaptive Finite State Projection (FSP) method for efficiently solving the Chemical Master Equation (CME) with rigorous error control. Our approach integrates time-stepping with dynamic state-space truncation, balancing accuracy and computational cost. Krylov subspace methods approximate the matrix exponential, while quantile-based pruning controls state-space growth by removing low-probability states. Theoretical error bounds ensure that the truncation error remains bounded by the pruned mass at each step, which is user-controlled, and does not propagate forward in time. Numerical experiments on biochemical systems, including the Lotka-Volterra and Michaelis-Menten and bi-stable toggle switch models.

Country of Origin
🇺🇸 United States

Page Count
19 pages

Category
Computer Science:
Computational Engineering, Finance, and Science