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Continuous Hierarchical Representations with Poincaré Variational Auto-Encoders (1901.06033v3)

Published 17 Jan 2019 in stat.ML and cs.LG

Abstract: The variational auto-encoder (VAE) is a popular method for learning a generative model and embeddings of the data. Many real datasets are hierarchically structured. However, traditional VAEs map data in a Euclidean latent space which cannot efficiently embed tree-like structures. Hyperbolic spaces with negative curvature can. We therefore endow VAEs with a Poincar\'e ball model of hyperbolic geometry as a latent space and rigorously derive the necessary methods to work with two main Gaussian generalisations on that space. We empirically show better generalisation to unseen data than the Euclidean counterpart, and can qualitatively and quantitatively better recover hierarchical structures.

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Authors (5)
  1. Emile Mathieu (19 papers)
  2. Charline Le Lan (15 papers)
  3. Chris J. Maddison (47 papers)
  4. Ryota Tomioka (33 papers)
  5. Yee Whye Teh (162 papers)
Citations (166)

Summary

  • The paper presents a novel Poincaré VAE that models hierarchical structures using hyperbolic geometry.
  • It develops innovative reparameterization schemes and a decoder architecture tailored for Riemannian latent spaces.
  • Empirical results on synthetic, MNIST, and graph data demonstrate superior generalization and more interpretable embeddings.

An Overview of Continuous Hierarchical Representations with Poincaré Variational Auto-Encoders

The Variational Auto-Encoder (VAE) is a significant tool for representation learning in high-dimensional spaces. Many datasets embody hierarchies, yet traditional VAEs map data into Euclidean latent spaces, rendering them less effective at representing inherently tree-like structures. This paper proposes an innovative approach by augmenting VAEs with hyperbolic geometry, specifically using a Poincaré ball model as their latent space. This methodological advancement leverages the properties of hyperbolic space to more effectively model and generalize hierarchical structures.

Primary Contributions

  1. Novel Sampling Techniques: The authors introduce reparametrization schemes and calculate probability density functions for two Gaussian generalizations—maximum entropy and wrapped normal distributions—in the Poincaré ball. These are foundational for training the proposed VAEs.
  2. Decoder Architecture: A new decoder architecture is designed to account for hyperbolic geometry, which is empirically crucial for leveraging the hyperbolic latent space.
  3. Empirical Superiority: Extensive empirical analysis demonstrates that VAEs endowed with a Poincaré ball can enhance model generalization and promote interpretable representations, particularly beneficial for data with hierarchical structures.

Research Design and Results

The research builds on the premise that continuous hyperbolic spaces, akin to smooth generalizations of trees, facilitate hierarchical representation learning. The Poincaré latent space employs Gaussian distributions adapted to Riemannian geometries, optimizing embedding efficiency for hierarchical datasets.

Key Findings:

  • Synthetic Hierarchical Data: The proposed model significantly outperforms Euclidean VAEs on synthetic datasets modeling branching processes, exhibiting superior test marginal likelihoods.
  • MNIST Digit Recognition: The model demonstrates enhanced performance on MNIST, particularly evident in scenarios of reduced latent dimensionality, emphasizing its efficacy under information bottleneck conditions.
  • Graph Data: In graph datasets where hierarchical structures are natural, such as phylogenetic trees and social networks, the Poincaré VAE consistently outperforms in link prediction tasks, indicating better generalization to unseen data.

Implications and Speculations for Future AI Developments

The paper opens avenues for integrating hyperbolic spaces into broader deep learning frameworks, suggesting substantial potential in fields requiring hierarchical modeling, including natural language processing and bioinformatics. Future developments could explore:

  • Model Comparison: Different models of hyperbolic geometry (e.g., Poincaré half-plane) could be comparatively analyzed to determine optimal settings for varied datasets.
  • Detection of Hierarchical Structures: Beyond heuristics, developing systematic approaches for detecting hierarchical structures in unlabeled data promises to refine model applicability and accuracy.

In conclusion, this research provides a substantive step forward in leveraging the mathematical richness of hyperbolic geometry for representation learning, offering a robust framework with implications across AI disciplines seeking to accurately reflect and learn from hierarchical data structures.