Replica-exchange Nosé-Hoover dynamics for Bayesian learning on large datasets
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In this paper, we propose a new sampler for Bayesian learning that can efficiently draw representative samples from complex posterior distributions with multiple isolated modes in the presence of mini-batch noise. This is done by simulating a collection of replicas in parallel with different temperatures. When evolving the Nosé-Hoover dynamics, the sampler adaptively neutralizes the mini-batch noise. To approximate the detailed balance, configuration exchange is performed periodically between adjacent replicas according to a noise-aware test of acceptance. While its effectiveness on complex multimodal posteriors has been illustrated by testing over synthetic distributions, experiments on deep Bayesian neural network learning have shown its significant improvements over strong baselines for image classification.
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