Learning with MISELBO: The Mixture Cookbook

Mixture models in variational inference (VI) is an active field of research. Recent works have established their connection to multiple importance sampling (MIS) through the MISELBO and advanced the use of ensemble approximations for large-scale problems. However, as we show here, an independent learning of the ensemble components can lead to suboptimal diversity. Hence, we study the effect of instead using MISELBO as an objective function for learning mixtures, and we propose the first ever mixture of variational approximations for a normalizing flow-based hierarchical variational autoencoder (VAE) with VampPrior and a PixelCNN decoder network. Two major insights led to the construction of this novel composite model. First, mixture models have potential to be off-the-shelf tools for practitioners to obtain more flexible posterior approximations in VAEs. Therefore, we make them more accessible by demonstrating how to apply them to four popular architectures. Second, the mixture components cooperate in order to cover the target distribution while trying to maximize their diversity when MISELBO is the objective function. We explain this cooperative behavior by drawing a novel connection between VI and adaptive importance sampling. Finally, we demonstrate the superiority of the Mixture VAEs' learned feature representations on both image and single-cell transcriptome data, and obtain state-of-the-art results among VAE architectures in terms of negative log-likelihood on the MNIST and FashionMNIST datasets. Code available here: \url{https://github.com/Lagergren-Lab/MixtureVAEs}.