No Arabic abstract
Parallel tempering (PT) is a class of Markov chain Monte Carlo algorithms that constructs a path of distributions annealing between a tractable reference and an intractable target, and then interchanges states along the path to improve mixing in the target. The performance of PT depends on how quickly a sample from the reference distribution makes its way to the target, which in turn depends on the particular path of annealing distributions. However, past work on PT has used only simple paths constructed from convex combinations of the reference and target log-densities. This paper begins by demonstrating that this path performs poorly in the setting where the reference and target are nearly mutually singular. To address this issue, we expand the framework of PT to general families of paths, formulate the choice of path as an optimization problem that admits tractable gradient estimates, and propose a flexible new family of spline interpolation paths for use in practice. Theoretical and empirical results both demonstrate that our proposed methodology breaks previously-established upper performance limits for traditional paths.
Parallel tempering (PT) methods are a popular class of Markov chain Monte Carlo schemes used to sample complex high-dimensional probability distributions. They rely on a collection of $N$ interacting auxiliary chains targeting temper
Informed MCMC methods have been proposed as scalable solutions to Bayesian posterior computation on high-dimensional discrete state spaces. We study a class of MCMC schemes called informed importance tempering (IIT), which combine importance sampling and informed local proposals. Spectral gap bounds for IIT estimators are obtained, which demonstrate the remarkable scalability of IIT samplers for unimodal target distributions. The theoretical insights acquired in this note provide guidance on the choice of informed proposals in model selection and the use of importance sampling in MCMC methods.
In the current work we present two generalizations of the Parallel Tempering algorithm, inspired by the so-called continuous-time Infinite Swapping algorithm. Such a method, found its origins in the molecular dynamics community, and can be understood as the limit case of the continuous-time Parallel Tempering algorithm, where the (random) time between swaps of states between two parallel chains goes to zero. Thus, swapping states between chains occurs continuously. In the current work, we extend this idea to the context of time-discrete Markov chains and present two Markov chain Monte Carlo algorithms that follow the same paradigm as the continuous-time infinite swapping procedure. We analyze the convergence properties of such discrete-time algorithms in terms of their spectral gap, and implement them to sample from different target distributions. Numerical results show that the proposed methods significantly improve over more traditional sampling algorithms such as Random Walk Metropolis and (traditional) Parallel Tempering.
We review several parallel tempering schemes and examine their main ingredients for accuracy and efficiency. The present study covers two selection methods of temperatures and several choices for the exchange of replicas, including a recent novel all-pair exchange method. We compare the resulting schemes and measure specific heat errors and efficiency using the two-dimensional (2D) Ising model. Our tests suggest that, an earlier proposal for using numbers of local moves related to the canonical correlation times is one of the key ingredients for increasing efficiency, and protocols using cluster algorithms are found to be very effective. Some of the protocols are also tested for efficiency and ground state production in 3D spin glass models where we find that, a simple nearest-neighbor approach using a local n-fold way algorithm is the most effective. Finally, we present evidence that the asymptotic limits of the ground state energy for the isotropic case and that of an anisotropic case of the 3D spin-glass model are very close and may even coincide.
We study the performance of QCD simulations with dynamical Wilson fermions by combining the Hybrid Monte Carlo algorithm with parallel tempering on $10^4$ and $12^4$ lattices. In order to compare tempered with standard simulations, covariance matrices between sub-ensembles have to be formulated and evaluated using the general properties of autocorrelations of the parallel tempering algorithm. We find that rendering the hopping parameter $kappa$ dynamical does not lead to an essential improvement. We point out possible reasons for this observation and discuss more suitable ways of applying parallel tempering to QCD.