Computing the quasipotential for nongradient SDEs in 3D

TL;DR

This paper introduces a novel Dijkstra-like algorithm for efficiently computing the quasipotential in 3D nongradient stochastic differential equations, enabling analysis of complex biological and ecological models.

Contribution

The paper presents a new hierarchical update strategy and optimization techniques for a Dijkstra-like solver, improving accuracy and efficiency in 3D quasipotential computations.

Findings

Effective in linear and nonlinear examples with known quasipotentials

Successfully applied to models with hyperbolic periodic orbits

Provides open-source C implementation for broader use

Abstract

Nongradient SDEs with small white noise often arise when modeling biological and ecological time-irreversible processes. If the governing SDE were gradient, the maximum likelihood transition paths, transition rates, expected exit times, and the invariant probability distribution would be given in terms of its potential function. The quasipotential plays a similar role for nongradient SDEs. Unfortunately, the quasipotential is the solution of a functional minimization problem that can be obtained analytically only in some special cases. We propose a Dijkstra-like solver for computing the quasipotential on regular rectangular meshes in 3D. This solver results from a promotion and an upgrade of the previously introduced ordered line integral method with the midpoint quadrature rule for 2D SDEs. The key innovations that have allowed us to keep the CPU times reasonable while maintaining good accuracy are $(i)$ a new hierarchical update strategy, $(ii)$ the use of Karush-Kuhn-Tucker theory for rejecting unnecessary simplex updates, and $(iii)$ pruning the number of admissible simplexes and a fast search for them. An extensive numerical study is conducted on a series of linear and nonlinear examples where the quasipotential is analytically available or can be found at transition states by other methods. In particular, the proposed solver is applied to Tao's examples where the transition states are hyperbolic periodic orbits, and to a genetic switch model by Lv et al. (2014). The C source code implementing the proposed algorithm is available at M. Cameron's web page.