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GGBall: Graph Generative Model on Poincar\'e Ball

About

Generating graphs with hierarchical structures remains a fundamental challenge due to the limitations of Euclidean geometry in capturing exponential complexity. Here we introduce \textbf{GGBall}, a novel hyperbolic framework for graph generation that integrates geometric inductive biases with modern generative paradigms. GGBall combines a Hyperbolic Vector-Quantized Autoencoder (HVQVAE) with a Riemannian flow matching prior defined via closed-form geodesics. This design enables flow-based priors to model complex latent distributions, while vector quantization helps preserve the curvature-aware structure of the hyperbolic space. We further develop a suite of hyperbolic GNN and Transformer layers that operate entirely within the manifold, ensuring stability and scalability. Empirically, our model reduces degree MMD by over 75\% on Community-Small and over 40\% on Ego-Small compared to state-of-the-art baselines, demonstrating an improved ability to preserve topological hierarchies. These results highlight the potential of hyperbolic geometry as a powerful foundation for the generative modeling of complex, structured, and hierarchical data domains. Our code is available at \href{https://github.com/AI4Science-WestlakeU/GGBall}{here}.

Tianci Bu, Chuanrui Wang, Hao Ma, Haoren Zheng, Xin Lu, Tailin Wu• 2025

Related benchmarks

TaskDatasetResultRank
Abstract graph generationEgo small
Average MMD0.0112
17
Abstract graph generationCommunity small
Degree0.0085
17
Molecular Graph GenerationQM9
Validity91.02
10
Molecular Graph GenerationZINC250K--
4
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