A Parallel Tempering algorithm for probabilistic sampling and multimodal optimization

Abstract Non-linear inverse problems in the geosciences often involve probabilistic sampling of multimodal density functions or global optimization and sometimes both. Efficient algorithmic tools for carrying out sampling or optimization in challenging cases are of major interest. Here results are presented of some numerical experiments with a technique, known as Parallel Tempering, which originated in the field of computational statistics but is finding increasing numbers of applications in fields ranging from Chemical Physics to Astronomy. To date, experience in use of Parallel Tempering within earth sciences problems is very limited. In this paper, we describe Parallel Tempering and compare it to related methods of Simulated Annealing and Simulated Tempering for optimization and sampling, respectively. A key feature of Parallel Tempering is that it satisfies the detailed balance condition required for convergence of Markov chain Monte Carlo (McMC) algorithms while improving the efficiency of probabilistic sampling. Numerical results are presented on use of Parallel Tempering for trans-dimensional inversion of synthetic seismic receiver functions and also the simultaneous fitting of multiple receiver functions using global optimization. These suggest that its use can significantly accelerate sampling algorithms and improve exploration of parameter space in optimization. Parallel Tempering is a meta-algorithm which may be used together with many existing McMC sampling and direct search optimization techniques. It's generality and demonstrated performance suggests that there is significant potential for applications to both sampling and optimization problems in the geosciences.