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Graph Positional Autoencoders as Self-supervised Learners

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Graph self-supervised learning seeks to learn effective graph representations without relying on labeled data. Among various approaches, graph autoencoders (GAEs) have gained significant attention for their efficiency and scalability. Typically, GAEs take incomplete graphs as input and predict missing elements, such as masked nodes or edges. While effective, our experimental investigation reveals that traditional node or edge masking paradigms primarily capture low-frequency signals in the graph and fail to learn the expressive structural information. To address these issues, we propose Graph Positional Autoencoders (GraphPAE), which employs a dual-path architecture to reconstruct both node features and positions. Specifically, the feature path uses positional encoding to enhance the message-passing processing, improving GAE's ability to predict the corrupted information. The position path, on the other hand, leverages node representations to refine positions and approximate eigenvectors, thereby enabling the encoder to learn diverse frequency information. We conduct extensive experiments to verify the effectiveness of GraphPAE, including heterophilic node classification, graph property prediction, and transfer learning. The results demonstrate that GraphPAE achieves state-of-the-art performance and consistently outperforms baselines by a large margin.

Yang Liu, Deyu Bo, Wenxuan Cao, Yuan Fang, Yawen Li, Chuan Shi• 2025

Related benchmarks

TaskDatasetResultRank
Node ClassificationChameleon
Accuracy80.51
867
Node ClassificationSquirrel
Accuracy72.05
786
Node ClassificationActor
Accuracy38.55
556
Molecular property predictionQM9 (test)
mu0.703
245
Node ClassificationarXiv-year
Accuracy41.85
139
Node ClassificationPenn94
Accuracy71.79
79
Node-level classificationBlogCatalog
Accuracy0.8576
70
Graph ClassificationMOLBACE
ROC AUC0.8111
42
Graph RegressionMOLESOL
RMSE1.015
29
Graph RegressionOGB-molipo
RMSE0.81
18
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