GEAR aligns Ricci curvatures in latent spaces of models to create a unified transfer learning architecture, achieving 14.4% and 8.3% performance gains on 23 molecular task pairs under random and scaffold splits.
Geodesic Clustering in Deep Generative Models
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abstract
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.
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2025 1verdicts
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Geometric Embedding Alignment via Curvature Matching in Transfer Learning
GEAR aligns Ricci curvatures in latent spaces of models to create a unified transfer learning architecture, achieving 14.4% and 8.3% performance gains on 23 molecular task pairs under random and scaffold splits.