Tuning tempered transitions

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A Repelling-Attracting Metropolis Algorithm for Multimodality

Although the Metropolis algorithm is simple to implement, it often has difficulties exploring multimodal distributions. We propose the repelling-attracting Metropolis (RAM) algorithm that maintains the simple-to-implement nature of the Metropolis algorithm, but is more likely to jump between modes. The RAM algorithm is a Metropolis-Hastings algorithm with a proposal that consists of a downhill move in density that aims to make local modes repelling, followed by an uphill move in density that aims to make local modes attracting. The downhill move is achieved via a reciprocal Metropolis ratio so that the algorithm prefers downward movement. The uphill move does the opposite using the standard Metropolis ratio which prefers upward movement. This down-up movement in density increases the probability of a proposed move to a different mode. Because the acceptance probability of the proposal involves a ratio of intractable integrals, we introduce an auxiliary variable which creates a term in the acceptance probability that cancels with the intractable ratio. Using several examples, we demonstrate the potential for the RAM algorithm to explore a multimodal distribution more efficiently than a Metropolis algorithm and with less tuning than is commonly required by tempering-based methods

Thermodynamic assessment of probability distribution divergencies and Bayesian model comparison

Within path sampling framework, we show that probability distribution divergences, such as the Chernoff information, can be estimated via thermodynamic integration. The Boltzmann-Gibbs distribution pertaining to different Hamiltonians is implemented to derive tempered transitions along the path, linking the distributions of interest at the endpoints. Under this perspective, a geometric approach is feasible, which prompts intuition and facilitates tuning the error sources. Additionally, there are direct applications in Bayesian model evaluation. Existing marginal likelihood and Bayes factor estimators are reviewed here along with their stepping-stone sampling analogues. New estimators are presented and the use of compound paths is introduced

Parallel Tempering with Equi-Energy Moves

The Equi-Energy Sampler (EES) introduced by Kou et al [2006] is based on a population of chains which are updated by local moves and global moves, also called equi-energy jumps. The state space is partitioned into energy rings, and the current state of a chain can jump to a past state of an adjacent chain that has energy level close to its level. This algorithm has been developed to facilitate global moves between different chains, resulting in a good exploration of the state space by the target chain. This method seems to be more efficient than the classical Parallel Tempering (PT) algorithm. However it is difficult to use in combination with a Gibbs sampler and it necessitates increased storage. In this paper we propose an adaptation of this EES that combines PT with the principle of swapping between chains with same levels of energy. This adaptation, that we shall call Parallel Tempering with Equi-Energy Moves (PTEEM), keeps the original idea of the EES method while ensuring good theoretical properties, and practical implementation even if combined with a Gibbs sampler. Performances of the PTEEM algorithm are compared with those of the EES and of the standard PT algorithms in the context of mixture models, and in a problem of identification of gene regulatory binding motifs