Markov Chain Monte Carlo (MCMC) sampling methods are widely used but often encounter either slow convergence or biased sampling when applied to multimodal high dimensional distributions. In this paper, we present a general framework of improving classical MCMC samplers by employing a global optimization method. The global optimization method first reduces a high dimensional search to an one dimensional geodesic to find a starting point close to a local mode. The search is accelerated and completed by using a local search method such as BFGS. We modify the target distribution by extracting a local Gaussian distribution aound the found mode. The process is repeated to find all the modes during sampling on the fly. We integrate the optimization algorithm into the Wormhole Hamiltonian Monte Carlo (WHMC) method. Experimental results show that, when applied to high dimensional, multimodal Gaussian mixture models and the network sensor localization problem, the proposed method achieves much faster convergence, with relative error from the mean improved by about an order of magnitude than WHMC in some cases.
Attempts have been made to tune HMC parameters adaptively. The No-U-Turn Sampler (NUTS) uses a recusrive algorithm to propose candidate points in a wide region of the target distribution and stops the trajectory as it makes a U-turn. The step sizes can also be adjusted adaptively in NUTS. The Adaptive Hamiltonian and Riemann Monte Carlo (AHRMC) sampler @cite_0 uses a Bayesian optimization method to tune HMC parameters.
@cite_0
2144193737 2952969080 2746461338 2073412813
Hamiltonian Monte Carlo (HMC) sampling methods provide a mechanism for defining distant proposals with high acceptance probabilities in a Metropolis-Hastings framework, enabling more efficient exploration of the state space than standard random-walk proposals. The popularity of such methods has grown significantly in recent years. However, a limitation of HMC methods is the required gradient computation for simulation of the Hamiltonian dynamical system--such computation is infeasible in problems involving a large sample size or streaming data. Instead, we must rely on a noisy gradient estimate computed from a subset of the data. In this paper, we explore the properties of such a stochastic gradient HMC approach. Surprisingly, the natural implementation of the stochastic approximation can be arbitrarily bad. To address this problem we introduce a variant that uses second-order Langevin dynamics with a friction term that counteracts the effects of the noisy gradient, maintaining the desired target distribution as the invariant distribution. Results on simulated data validate our theory. We also provide an application of our methods to a classification task using neural networks and to online Bayesian matrix factorization. Hamiltonian Monte Carlo (HMC) is a widely deployed method to sample from high-dimensional distributions in Statistics and Machine learning. HMC is known to run very efficiently in practice and its popular second-order "leapfrog" implementation has long been conjectured to run in @math gradient evaluations. Here we show that this conjecture is true when sampling from strongly log-concave target distributions that satisfy a weak third-order regularity property associated with the input data. Our regularity condition is weaker than the Lipschitz Hessian property and allows us to show faster convergence bounds for a much larger class of distributions than would be possible with the usual Lipschitz Hessian constant alone. Important distributions that satisfy our regularity condition include posterior distributions used in Bayesian logistic regression for which the data satisfies an "incoherence" property. Our result compares favorably with the best available bounds for the class of strongly log-concave distributions, which grow like @math gradient evaluations with the dimension. Moreover, our simulations on synthetic data suggest that, when our regularity condition is satisfied, leapfrog HMC performs better than its competitors -- both in terms of accuracy and in terms of the number of gradient evaluations it requires. We obtain several quantitative bounds on the mixing properties of the Hamiltonian Monte Carlo (HMC) algorithm for a strongly log-concave target distribution @math on @math , showing that HMC mixes quickly in this setting. One of our main results is a dimension-free bound on the mixing of an "ideal" HMC chain, which is used to show that the usual leapfrog implementation of HMC can sample from @math using only @math gradient evaluations. This dependence on dimension is sharp, and our results significantly extend and improve previous quantitative bounds on the mixing of HMC. Abstract This article describes a new Metropolis-like transition rule, the multiple-try Metropolis, for Markov chain Monte Carlo (MCMC) simulations. By using this transition rule together with adaptive direction sampling, we propose a novel method for incorporating local optimization steps into a MCMC sampler in continuous state-space. Numerical studies show that the new method performs significantly better than the traditional Metropolis-Hastings (M-H) sampler. With minor tailoring in using the rule, the multiple-try method can also be exploited to achieve the effect of a griddy Gibbs sampler without having to bear with griddy approximations, and the effect of a hit-and-run algorithm without having to figure out the required conditional distribution in a random direction.