Deep generative models are tremendously successful in learning low-dimensional latent representations that well-describe the data. These representations, however, tend to much distort relationships between points, i.e. pairwise distances tend to not reflect semantic similarities well. This renders unsupervised tasks, such as clustering, difficult when working with the latent representations. We demonstrate that taking the geometry of the generative model into account is sufficient to make simple clustering algorithms work well over latent representations. Leaning on the recent finding that deep generative models constitute stochastically immersed Riemannian manifolds, we propose an efficient algorithm for computing geodesics (shortest paths) and computing distances in the latent space, while taking its distortion into account. We further propose a new architecture for modeling uncertainty in variational autoencoders, which is essential for understanding the geometry of deep generative models. Experiments show that the geodesic distance is very likely to reflect the internal structure of the data.
, is based on a recent observation that deep generative models immerse random Riemannian manifolds @cite_9 . This implies a change in the way distances are measured in the latent space, which reveals a clustering structure. Unfortunately, practical algorithms for actually computing such distances are missing, and it is the main focus of the present paper. With such an algorithm in hand, clustering can be performed with high accuracy in the latent space of an off-the-shelf VAE.
@cite_9
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Given data, deep generative models, such as variational autoencoders (VAE) and generative adversarial networks (GAN), train a lower dimensional latent representation of the data space. The linear Euclidean geometry of data space pulls back to a nonlinear Riemannian geometry on the latent space. The latent space thus provides a low-dimensional nonlinear representation of data and classical linear statistical techniques are no longer applicable. In this paper we show how statistics of data in their latent space representation can be performed using techniques from the field of nonlinear manifold statistics. Nonlinear manifold statistics provide generalizations of Euclidean statistical notions including means, principal component analysis, and maximum likelihood fits of parametric probability distributions. We develop new techniques for maximum likelihood inference in latent space, and adress the computational complexity of using geometric algorithms with high-dimensional data by training a separate neural network to approximate the Riemannian metric and cometric tensor capturing the shape of the learned data manifold. Deep generative models learn a mapping from a low-dimensional latent space to a high-dimensional data space. Under certain regularity conditions, these models parameterize nonlinear manifolds in the data space. In this paper, we investigate the Riemannian geometry of these generated manifolds. First, we develop efficient algorithms for computing geodesic curves, which provide an intrinsic notion of distance between points on the manifold. Second, we develop an algorithm for parallel translation of a tangent vector along a path on the manifold. We show how parallel translation can be used to generate analogies, i.e., to transport a change in one data point into a semantically similar change of another data point. Our experiments on real image data show that the manifolds learned by deep generative models, while nonlinear, are surprisingly close to zero curvature. The practical implication is that linear paths in the latent space closely approximate geodesics on the generated manifold. The manifold hypothesis states that many kinds of high-dimensional data are concentrated near a low-dimensional manifold. If the topology of this data manifold is non-trivial, a continuous en-coder network cannot embed it in a one-to-one manner without creating holes of low density in the latent space. This is at odds with the Gaussian prior assumption typically made in Variational Auto-Encoders (VAEs), because the density of a Gaussian concentrates near a blob-like manifold. In this paper we investigate the use of manifold-valued latent variables. Specifically, we focus on the important case of continuously differen-tiable symmetry groups (Lie groups), such as the group of 3D rotations SO(3). We show how a VAE with SO(3)-valued latent variables can be constructed, by extending the reparameterization trick to compact connected Lie groups. Our exper-iments show that choosing manifold-valued latent variables that match the topology of the latent data manifold, is crucial to preserve the topological structure and learn a well-behaved latent space. Clustering is among the most fundamental tasks in computer vision and machine learning. In this paper, we propose Variational Deep Embedding (VaDE), a novel unsupervised generative clustering approach within the framework of Variational Auto-Encoder (VAE). Specifically, VaDE models the data generative procedure with a Gaussian Mixture Model (GMM) and a deep neural network (DNN): 1) the GMM picks a cluster; 2) from which a latent embedding is generated; 3) then the DNN decodes the latent embedding into observables. Inference in VaDE is done in a variational way: a different DNN is used to encode observables to latent embeddings, so that the evidence lower bound (ELBO) can be optimized using Stochastic Gradient Variational Bayes (SGVB) estimator and the reparameterization trick. Quantitative comparisons with strong baselines are included in this paper, and experimental results show that VaDE significantly outperforms the state-of-the-art clustering methods on 4 benchmarks from various modalities. Moreover, by VaDE's generative nature, we show its capability of generating highly realistic samples for any specified cluster, without using supervised information during training. Lastly, VaDE is a flexible and extensible framework for unsupervised generative clustering, more general mixture models than GMM can be easily plugged in.