Surrogate-assisted parallel tempering for Bayesian neural learning

Parallel tempering addresses some of the drawbacks of canonical Markov Chain Monte-Carlo methods for Bayesian neural learning with the ability to utilize high performance computing. However, certain challenges remain given the large range of network parameters and big data. Surrogate-assisted optimization considers the estimation of an objective function for models given computational inefficiency or difficulty to obtain clear results. We address the inefficiency of parallel tempering for large-scale problems by combining parallel computing features with surrogate assisted estimation of likelihood function that describes the plausibility of a model parameter value, given specific observed data. In this paper, we present surrogate-assisted parallel tempering for Bayesian neural learning where the surrogates are used to estimate the likelihood. The estimation via the surrogate becomes useful rather than evaluating computationally expensive models that feature large number of parameters and datasets. Our results demonstrate that the methodology significantly lowers the computational cost while maintaining quality in decision making using Bayesian neural learning. The method has applications for a Bayesian inversion and uncertainty quantification for a broad range of numerical models.

Langevin-gradient parallel tempering for Bayesian neural learning

Bayesian neural learning feature a rigorous approach to estimation and uncertainty quantification via the posterior distribution of weights that represent knowledge of the neural network. This not only provides point estimates of optimal set of weights but also the ability to quantify uncertainty in decision making using the posterior distribution. Markov chain Monte Carlo (MCMC) techniques are typically used to obtain sample-based estimates of the posterior distribution. However, these techniques face challenges in convergence and scalability, particularly in settings with large datasets and network architectures. This paper address these challenges in two ways. First, parallel tempering is used used to explore multiple modes of the posterior distribution and implemented in multi-core computing architecture. Second, we make within-chain sampling schemes more efficient by using Langevin gradient information in forming Metropolis-Hastings proposal distributions. We demonstrate the techniques using time series prediction and pattern classification applications. The results show that the method not only improves the computational time, but provides better prediction or decision making capabilities when compared to related methods.