Score-based Pullback Riemannian Geometry: Extracting the Data Manifold Geometry using Anisotropic Flows (2410.01950v2)

Abstract: Data-driven Riemannian geometry has emerged as a powerful tool for interpretable representation learning, offering improved efficiency in downstream tasks. Moving forward, it is crucial to balance cheap manifold mappings with efficient training algorithms. In this work, we integrate concepts from pullback Riemannian geometry and generative models to propose a framework for data-driven Riemannian geometry that is scalable in both geometry and learning: score-based pullback Riemannian geometry. Focusing on unimodal distributions as a first step, we propose a score-based Riemannian structure with closed-form geodesics that pass through the data probability density. With this structure, we construct a Riemannian autoencoder (RAE) with error bounds for discovering the correct data manifold dimension. This framework can naturally be used with anisotropic normalizing flows by adopting isometry regularization during training. Through numerical experiments on diverse datasets, including image data, we demonstrate that the proposed framework produces high-quality geodesics passing through the data support, reliably estimates the intrinsic dimension of the data manifold, and provides a global chart of the manifold. To the best of our knowledge, this is the first scalable framework for extracting the complete geometry of the data manifold.

• The paper introduces a score-based pullback Riemannian metric that integrates score functions with diffeomorphisms to ensure geodesics pass through high-density regions.
• The paper presents a Riemannian autoencoder that efficiently estimates the intrinsic dimensionality of data manifolds with error bounds comparable to PCA.
• The paper adapts normalizing flow training with anisotropy and isometry regularization, enhancing both scalability and interpretability in manifold learning.

Score-based Pullback Riemannian Geometry

The paper "Score-based Pullback Riemannian Geometry" introduces a novel framework for learning data-driven Riemannian geometries, leveraging concepts from differential geometry and generative modeling. This work addresses specific challenges faced in learning effective manifold representation structures, particularly focusing on the scalability of manifold mappings and training algorithms.

Summary

The authors propose a framework referred to as "score-based pullback Riemannian geometry," which utilizes unimodal probability densities shaped by the composition of strongly convex functions and diffeomorphisms. The central idea is to integrate these densities directly into Riemannian structures to ensure that geodesics pass through high-likelihood regions, thus reflecting the data distribution effectively.

The framework constructs a Riemannian autoencoder (RAE) capable of approximating data manifolds by introducing a score-based Riemannian metric with closed-form geodesics. This metric is pivotal in yielding interpretable representations with error bounds that facilitate the estimation of the intrinsic dimensionality of data manifolds.

Key Contributions

1. Score-based Pullback Metric: The paper defines a novel pullback Riemannian metric using the score of the probability distribution, aiding in alignment with data distributions. This approach ensures geometric constructs like geodesics adhere to data support, enhancing interpretability and efficiency.
2. Riemannian Autoencoding: Building on the defined metric, the authors present a Riemannian autoencoder capable of determining latent space dimensions with error bounds akin to those in principal component analysis (PCA).
3. Training Adaptation: The framework introduces adaptations in normalizing flow training. It emphasizes anisotropic structures and isometry regularization, ensuring scalability and efficiency in learning representation.

Numerical Results

The authors provide empirical results illustrating the efficacy of their method on various datasets. The framework's ability to produce high-quality geodesics, accurately estimate the intrinsic dimension, and maintain data manifold representation in high-dimensional spaces is demonstrated. This is particularly visible in low-dimensional synthetic datasets where the framework effectively estimates intrinsic dimensions and constructs global charts.

Implications and Future Research

The approach suggests significant improvements in representation learning, particularly in its capacity to simultaneously incorporate data geometry and generative modeling strengths. The implications are broad, with potential applications ranging from enhanced data analysis techniques to more interpretable generative models.

Additionally, the paper outlines potential future work in expanding the framework to multimodal distributions, which would significantly increase its applicability. Challenges recognized include further balancing network expressivity and maintaining approximate isometries, particularly when adapting more complex architectures or addressing multimodal distributions.

Conclusion

"Score-based Pullback Riemannian Geometry" offers a promising direction in geometric data analysis, capitalizing on recent advancements in generative modeling. By addressing scalability and interpretability issues within manifold learning, it paves the way for more nuanced and efficient approaches to representation learning and Riemannian data analysis. The revelations about manifold scalability and precision in alignment with data distributions provide a strong theoretical and practical foundation for future research in data-driven Riemannian geometry.