LGIN: Defining an Approximately Powerful Hyperbolic GNN

원문 초록

While graph neural networks (GNNs) operating in hyperbolic spaces have shown promise for modeling hierarchical and complex relational data, a critical limitation often overlooked is their potentially limited discriminative power compared to their Euclidean counterparts or fundamental graph isomorphism tests like the Weisfeiler-Lehman (WL) hierarchy. Existing hyperbolic aggregation schemes, while curvature-aware, may not sufficiently capture the intricate structural differences required to robustly distinguish non-isomorphic graphs owing to non-injective aggregation functions. To address this expressiveness gap in hyperbolic graph learning, we introduce the Lorentzian Graph Isomorphic Network (LGIN), a novel GNN designed to achieve enhanced discriminative capabilities within the Lorentzian model of hyperbolic space. LGIN proposes a new update rule that effectively combines local neighborhood information with a richer representation of graph structure designed to preserve the Lorentzian metric tensor. This represents a significant step towards building more expressive GNNs in non-Euclidean geometries, overcoming a common bottleneck in current hyperbolic methods. We conduct extensive evaluations across nine diverse benchmark datasets, including molecular and protein structures. LGIN consistently outperforms or matches state-of-the-art hyperbolic and Euclidean GNNs, showcasing its practical efficacy and validating its superior ability to capture complex graph structures and distinguish between different graphs. To the best of our knowledge, LGIN is the first work to study the framework behind a powerful GNN on the hyperbolic space. The code for our paper can be found at https://github.com/Deceptrax123/LGIN