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Title: Variational Diffusion Autoencoders with Random Walk Sampling

Paper content:
Variational inference (VI) methods and especially variational autoencoders (VAEs) specify scalable generative models that enjoy an intuitive connection to manifold learning --- with many default priors the posterior/likelihood pair $q(z|x)$/$p(x|z)$ can be viewed as an approximate homeomorphism (and its inverse) between the data manifold and a latent Euclidean space.
However, these approximations are well-documented to become degenerate in training.
Unless the subjective prior is carefully chosen, the topologies of the prior and data distributions often will not match.
Conversely, diffusion maps (DM) automatically \textit{infer} the data topology and enjoy a rigorous connection to manifold learning, but do not scale easily or provide the inverse homeomorphism.
In this paper, we propose \textbf{a)} a principled measure for recognizing the mismatch between data and latent distributions and \textbf{b)} a method that combines the advantages of variational inference and diffusion maps to learn a homeomorphic generative model.
The measure, the \textit{locally bi-Lipschitz property}, is a sufficient condition for a homeomorphism and easy to compute and interpret.
The method, the \textit{variational diffusion autoencoder} (VDAE), is a novel generative algorithm that first infers the topology of the data distribution, then models a diffusion random walk over the data.
To achieve efficient computation in VDAEs, we use stochastic versions of both variational inference and manifold learning optimization.
We prove approximation theoretic results for the dimension dependence of VDAEs, and that locally isotropic sampling in the latent space results in a random walk over the reconstructed manifold.
Finally, we demonstrate the utility of our method on various real and synthetic datasets, and show that it exhibits performance superior to other generative models.
Recent developments in generative models such as variational auto-encoders (VAEs, Kingma & Welling (2013) ) and generative adversarial networks (GANs, Goodfellow et al. (2014) ) have made it possible to sample remarkably realistic points from complex high dimensional distributions at low computational cost.
While their methods are very different -one is derived from variational inference and the other from game theory -their ends both involve learning smooth mappings from a user-defined prior distribution to the modeled distribution.
These maps are closely tied to manifold learning when the prior is supported over a Euclidean space (e.g. Gaussian or uniform priors) and the data lie on a manifold (also known as the Manifold Hypothesis, see Narayanan & Mitter (2010) ; Fefferman et al. (2016) ).
This is because manifolds themselves are defined by sets that have homeomorphisms to such spaces.
Learning such maps is beneficial to any machine learning task, and may shed light on the success of VAEs and GANs in modeling complex distributions.
Furthermore, the connection to manifold learning may explain why these generative models fail when they do.
Known as posterior collapse in VAEs (Alemi et al., 2017; Zhao et al., 2017; He et al., 2019; Razavi et al., 2019) and mode collapse in GANs (Goodfellow, 2017) , both describe cases where the forward/reverse mapping to/from Euclidean space collapses large parts of the input to a single output.
This violates the bijective requirement of the homeomorphic mapping.
It also results in degenerate latent spaces and poor generative performance.
A major cause of such failings is when Figure 1 : A diagram depicting one step of the diffusion process modeled by the variational diffusion autoencoder (VDAE).
The diffusion and inverse diffusion maps ψ, ψ −1 , as well as the covariance C of the random walk on M Z , are all approximated by neural networks.
the geometries of the prior and target data do not agree.
We explore this issue of prior mismatch and previous treatments of it in Section 3.
Given their connection to manifold learning, it is natural to look to classical approaches in the field for ways to improve VAEs.
One of the most principled methods is spectral learning (Schölkopf et al., 1998; Roweis & Saul, 2000; Belkin & Niyogi, 2002) which involves describing data from a manifold X ⊂ M X by the eigenfunctions of a kernel on M X .
We focus specifically on DMs, where Coifman & Lafon (2006) show that normalizations of the kernel approximate a very specific diffusion process, the heat kernel over M X .
A crucial property of the heat kernel is that, like its physical analogue, it defines a diffusion process that has a uniform stationary distribution -in other words, drawing from this stationary distribution draws uniformly from the data manifold.
Moreover, Jones et al. (2008) established another crucial property of DMs, namely that distances in local neighborhoods in the eigenfunction space are nearly isometric to corresponding geodesic distances on the manifold.
However, despite its strong theoretical guarantees, DMs are poorly equipped for large scale generative modeling as they are not easily scalable and do not provide an inverse mapping from the intrinsic feature space.
In this paper we address issues in variational inference and manifold learning by combining ideas from both.
Theory in manifold learning allows us to better recognize prior mismatch, whereas variational inference provides a method to learn the difficult to approximate inverse diffusion map.
Our contributions:
1) We introduce the locally bi-Lipschitz property, a sufficient condition for a homeomorphism, for measuring the stability of a mapping between latent and data distributions.
2) We introduce VDAEs, a class of variational autoencoders whose encoder-decoder feedforward pass approximates the diffusion process on the data manifold with respect to a user-defined kernel k.
3) We show that deep neural networks are capable of learning such diffusion processes, and
4) that networks approximating this process produce random walks that have certain desirable properties, including well defined transition and stationary distributions.
5) Finally, we demonstrate the utility of the VDAE framework on a set of real and synthetic datasets, and show that they have superior performance and satisfy the locally bi-Lipschitz property where GANs and VAEs do not.

assistant: text: We combine variational inference and manifold learning (specifically VAEs and diffusion maps) to build a generative model based on a diffusion random walk on a data manifold; we generate samples by drawing from the walk's stationary distribution.