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Poster

Graph Positional and Structural Encoder

Semih Cantürk · Renming Liu · Dominique Beaini · Olivier Lapointe-Gagné · Vincent Létourneau · Guy Wolf · Ladislav Rampasek


Abstract:

Positional and structural encodings (PSE) enable better identifiability of nodes within a graph, as in general graphs lack a canonical node ordering. This renders PSEs essential tools for empowering modern GNNs, and in particular graph Transformers.However, designing PSEs that work optimally for all graph prediction tasks is a challenging and unsolved problem.Here, we present the graph positional and structural encoder (GPSE), the first-ever graph encoder designed to capture rich PSE representations for augmenting any GNN.GPSE learns an efficient common latent representation for multiple PSEs, and is highly transferable: The encoder trained on a particular graph dataset can be used effectively on datasets drawn from markedly different distributions and modalities. We show that across a wide range of benchmarks, GPSE-enhanced models can significantly outperform those that employ explicitly computed PSEs, and at least match their performance in others. Our results pave the way for the development of foundational pre-trained graph encoders for extracting positional and structural information, and highlight their potential as a more powerful and efficient alternative to explicitly computed PSEs and existing self-supervised pre-training approaches.

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