用位置编码提升图自编码器,更好捕捉结构信息
Graph Positional Autoencoders as Self-supervised Learners
- 双路径架构:分别重建节点特征和位置信息
- 在异质节点分类等任务上超越现有方法
- 适合需要精细结构理解的图学习场景
图自监督学习旨在不依赖标注数据的情况下学习有效的图表示。图自编码器(GAE)因其高效和可扩展性受到广泛关注,通常通过掩码部分节点或边来预测缺失内容。然而实验发现,传统掩码策略主要捕捉图的低频信号,难以学习表达性强的结构信息。为此,本文提出图位置自编码器(GraphPAE),采用双路径架构同时重建节点特征与位置。特征路径利用位置编码增强消息传递,提升对损坏信息的预测能力;位置路径则通过节点表示优化位置,逼近特征向量,使编码器能学习多频段信息。大量实验验证了其有效性,在异质节点分类、图属性预测和迁移学习任务中均达到当前最优表现,显著优于基线模型。
原文摘要 · Abstract (English)
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.
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