Transformers Meet Directed Graphs

Transformers were originally proposed as a sequence-to-sequence model for text but have become vital for a wide range of modalities, including images, audio, video, and undirected graphs. However, transformers for directed graphs are a surprisingly underexplored topic, despite their applicability to ubiquitous domains, including source code and logic circuits. In this work, we propose two direction- and structure-aware positional encodings for directed graphs: (1) the eigenvectors of the Magnetic Laplacian - a direction-aware generalization of the combinatorial Laplacian; (2) directional random walk encodings. Empirically, we show that the extra directionality information is useful in various downstream tasks, including correctness testing of sorting networks and source code understanding. Together with a data-flow-centric graph construction, our model outperforms the prior state of the art on the Open Graph Benchmark Code2 relatively by 14.7%.

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Task Dataset Model Metric Name Metric Value Global Rank Result Benchmark
Graph Property Prediction ogbg-code2 SAT++ with Magnetic Laplacian Test F1 score 0.2222 ± 0.0010 # 1
Validation F1 score 0.2044 ± 0.0020 # 1
Number of params 14378069 # 5
Ext. data No # 1

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