HubGT: Fast Graph Transformer with Decoupled Hierarchy Labeling

Neural Information Processing Systems 

Graph Transformer (GT) leveraging the powerful Transformer architecture to learn graph-structured data. However, effectively representing graph information while ensuring efficiency remains challenging, as our analysis reveals that graph-scale operations still constitute the computational bottleneck in current GT designs and limit their applications to large graphs. In this work, we tackle the GT scalability issue by proposing HubGT, which is boosted by decoupled graph computation and hierarchical graph representations. HubGT represents graph information with a novel hub labeling scheme, which encompasses enriched neighborhoods for node token generation, and fast computation for distance-based positional encoding. Notably, the precomputation and training of HubGT achieve complexities linear to the number of graph edges and nodes, respectively, while the training stage completely removes graph-related computations, leading to favorable mini-batch capability and GPU utilization. Extensive experiments demonstrate that HubGT offers efficient computation and mini-batch capability over existing GT designs on large-scale datasets while achieving top-tier effectiveness. Our code is available at: https://github.com/gdmnl/HubGT.

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