Expected information gain (EIG) is a crucial quantity in Bayesian optimal experimental design (BOED), quantifying how useful an experiment is by the amount we expect the posterior to differ from the prior. However, evaluating the EIG can be computationally expensive since it generally requires estimating the posterior normalizing constant. In this work, we leverage two idiosyncrasies of BOED to improve efficiency of EIG estimation via sequential Monte Carlo (SMC). First, in BOED we simulate the data and thus know the true underlying parameters. Second, we ultimately care about the EIG, not the individual normalizing constants. Often we observe that the Monte Carlo variance of standard SMC estimators for the normalizing constant of a single dataset are significantly lower than the variance of the normalizing constants across datasets; the latter thus contributes the majority of the variance for EIG estimates. This suggests the potential to slightly increase variance while drastically decreasing computation time by reducing the SMC population size, which leads us to an EIG-specific SMC estimator that starts with only a single sample from the posterior and tempers backwards towards the prior. Using this single-sample estimator, which we call reverse-annealed SMC (RA-SMC), we show that it is possible to estimate EIG with orders of magnitude fewer likelihood evaluations in three models: a four-dimensional spring-mass, a six-dimensional Johnson-Cook model and a four-dimensional source-finding problem.

Many probabilistic models of interest in scientific computing and machine learning have expensive, black-box likelihoods that prevent the application of standard techniques for Bayesian inference, such as MCMC, which would require access to the gradient or a large number of likelihood evaluations. We introduce here a novel sample-efficient inference framework, Variational Bayesian Monte Carlo (VBMC). VBMC combines variational inference with Gaussian-process based, active-sampling Bayesian quadrature, using the latter to efficiently approximate the intractable integral in the variational objective. Our method produces both a nonparametric approximation of the posterior distribution and an approximate lower bound of the model evidence, useful for model selection. We demonstrate VBMC both on several synthetic likelihoods and on a neuronal model with data from real neurons. Across all tested problems and dimensions (up to D = 10), VBMC performs consistently well in reconstructing the posterior and the model evidence with a limited budget of likelihood evaluations, unlike other methods that work only in very low dimensions. Our framework shows great promise as a novel tool for posterior and model inference with expensive, black-box likelihoods.

Neural Information Processing Systems http://nips.cc/

Model comparison and calibrated uncertainty quantification often require integrating over parameters, but scalable inference can be challenging for complex, multimodal targets. Nested Sampling is a robust alternative to standard MCMC, yet its typically sequential structure and hard constraints make efficient accelerator implementations difficult. This paper introduces Nested Slice Sampling (NSS), a GPU-friendly, vectorized formulation of Nested Sampling that uses Hit-and-Run Slice Sampling for constrained updates. A tuning analysis yields a simple near-optimal rule for setting the slice width, improving high-dimensional behavior and making per-step compute more predictable for parallel execution. Experiments on challenging synthetic targets, high dimensional Bayesian inference, and Gaussian process hyperparameter marginalization show that NSS maintains accurate evidence estimates and high-quality posterior samples, and is particularly robust on difficult multimodal problems where current state-of-the-art methods such as tempered SMC baselines can struggle. An open-source implementation is released to facilitate adoption and reproducibility.

Many probabilistic models of interest in scientific computing and machine learning have expensive, black-box likelihoods that prevent the application of standard techniques for Bayesian inference, such as MCMC, which would require access to the gradient or a large number of likelihood evaluations. We introduce here a novel sample-efficient inference framework, Variational Bayesian Monte Carlo (VBMC). VBMC combines variational inference with Gaussian-process based, active-sampling Bayesian quadrature, using the latter to efficiently approximate the intractable integral in the variational objective. Our method produces both a nonparametric approximation of the posterior distribution and an approximate lower bound of the model evidence, useful for model selection. We demonstrate VBMC both on several synthetic likelihoods and on a neuronal model with data from real neurons. Across all tested problems and dimensions (up to D = 10), VBMC performs consistently well in reconstructing the posterior and the model evidence with a limited budget of likelihood evaluations, unlike other methods that work only in very low dimensions. Our framework shows great promise as a novel tool for posterior and model inference with expensive, black-box likelihoods.

We introduce here a novel sample-efficient inference framework, V ariational Bayesian Monte Carlo (VBMC). VBMC combines variational inference with Gaussian-process based, active-sampling Bayesian quadrature, using the latter to efficiently approximate the intractable integral in the variational objective.