Approximate accelerated stochastic simulation of chemically reacting systems

The stochastic simulation algorithm (SSA) is an essentially exact procedure for numerically simulating the time evolution of a well-stirred chemically reacting system. Despite recent major improvements in the efficiency of the SSA, its drawback remains the great amount of computer time that is often required to simulate a desired amount of system time. Presented here is the tau -leap method, an approximate procedure that in some circumstances can produce significant gains in simulation speed with acceptable losses in accuracy. Some primitive strategies for control parameter selection and error mitigation for the tau -leap method are described, and simulation results for two simple model systems are exhibited. With further refinement, the tau -leap method should provide a viable way of segueing from the exact SSA to the approximate chemical Langevin equation, and thence to the conventional deterministic reaction rate equation, as the system size becomes larger.