Error-Controlled Coarse-Graining Dynamics with Mean-Field Randomization.

In order to comprehend the stochastic behavior of biological systems, it is essential to accurately infer the dynamics of chemical reaction networks. However, computation of the likelihood remains a bottleneck. In this study, we propose the mean-field randomization procedure as a means of efficiently generating error-controlled coarse-graining dynamics. The error is measured by mutual information between the generated trajectories and the coarse-graining procedure. We demonstrate that the exact dynamics can be recovered by resampling, which eliminates the correlation between the dynamics and the procedure. We developed three algorithms to efficiently generate exact or coarse-graining trajectories within a specified error range. By subjecting our algorithms to testing on chemical reaction systems of varying complexities and scales, we observe that they outperform existing state-of-the-art algorithms, and the efficiency of coarse-graining trajectory generation is only weakly dependent on system scales.