From optimal transport to generative modeling: the VEGAN cookbook

We study unsupervised generative modeling in terms of the optimal transport (OT) problem between true (but unknown) data distribution $P_X$ and the latent variable model distribution $P_G$. We show that the OT problem can be equivalently written in terms of probabilistic encoders, which are constrained to match the posterior and prior distributions over the latent space. When relaxed, this constrained optimization problem leads to a penalized optimal transport (POT) objective, which can be efficiently minimized using stochastic gradient descent by sampling from $P_X$ and $P_G$. We show that POT for the 2-Wasserstein distance coincides with the objective heuristically employed in adversarial auto-encoders (AAE) (Makhzani et al., 2016), which provides the first theoretical justification for AAEs known to the authors. We also compare POT to other popular techniques like variational auto-encoders (VAE) (Kingma and Welling, 2014). Our theoretical results include (a) a better understanding of the commonly observed blurriness of images generated by VAEs, and (b) establishing duality between Wasserstein GAN (Arjovsky and Bottou, 2017) and POT for the 1-Wasserstein distance.

Consistent Kernel Mean Estimation for Functions of Random Variables

We provide a theoretical foundation for non-parametric estimation of functions of random variables using kernel mean embeddings. We show that for any continuous function $f$, consistent estimators of the mean embedding of a random variable $X$ lead to consistent estimators of the mean embedding of $f(X)$. For Mat\'ern kernels and sufficiently smooth functions we also provide rates of convergence. Our results extend to functions of multiple random variables. If the variables are dependent, we require an estimator of the mean embedding of their joint distribution as a starting point; if they are independent, it is sufficient to have separate estimators of the mean embeddings of their marginal distributions. In either case, our results cover both mean embeddings based on i.i.d. samples as well as "reduced set" expansions in terms of dependent expansion points. The latter serves as a justification for using such expansions to limit memory resources when applying the approach as a basis for probabilistic programming.

Kernel Distribution Embeddings: Universal Kernels, Characteristic Kernels and Kernel Metrics on Distributions

Kernel mean embeddings have recently attracted the attention of the machine learning community. They map measures $\mu$ from some set $M$ to functions in a reproducing kernel Hilbert space (RKHS) with kernel $k$. The RKHS distance of two mapped measures is a semi-metric $d_k$ over $M$. We study three questions. (I) For a given kernel, what sets $M$ can be embedded? (II) When is the embedding injective over $M$ (in which case $d_k$ is a metric)? (III) How does the $d_k$-induced topology compare to other topologies on $M$? The existing machine learning literature has addressed these questions in cases where $M$ is (a subset of) the finite regular Borel measures. We unify, improve and generalise those results. Our approach naturally leads to continuous and possibly even injective embeddings of (Schwartz-) distributions, i.e., generalised measures, but the reader is free to focus on measures only. In particular, we systemise and extend various (partly known) equivalences between different notions of universal, characteristic and strictly positive definite kernels, and show that on an underlying locally compact Hausdorff space, $d_k$ metrises the weak convergence of probability measures if and only if $k$ is continuous and characteristic.

Removing systematic errors for exoplanet search via latent causes

We describe a method for removing the effect of confounders in order to reconstruct a latent quantity of interest. The method, referred to as half-sibling regression, is inspired by recent work in causal inference using additive noise models. We provide a theoretical justification and illustrate the potential of the method in a challenging astronomy application.