arXiv:2411.15206cs.LGcs.AI2024-11AAAI被引 2

通过条件分布对齐,解决图神经网络与对比学习的冲突问题。

Conditional Distribution Learning for Graph Classification

  • 设计条件分布学习框架,对齐弱增强与强增强特征的分布。
  • 在多个基准数据集上显著提升半监督图分类性能。
  • 适合需要保留语义信息的图数据增强场景。

利用各种图结构数据增强带来的多样性与数量,同时保持内在语义信息极具挑战性。此外,图神经网络(GNN)中连续层倾向于产生更相似的节点嵌入,而图对比学习则旨在增加负样本对节点嵌入之间的差异性,这导致了 GNN 的消息传递机制(MPM)与视图内负样本的对比学习(CL)之间存在固有矛盾。本文提出一种条件分布学习(CDL)方法,用于从图结构数据中学习半监督图分类的图表示。具体而言,我们构建了一个端到端的图表示学习模型,以对齐原始特征上弱增强与强增强特征的条件分布。这种对齐使 CDL 模型在同时应用弱增强和强增强时,能有效保留内在语义信息。为避免 MPM 与负样本对比学习之间的冲突,我们保留正样本对节点表示,用于衡量原始特征与对应弱增强特征之间的相似性。大量实验在多个基准图数据集上验证了所提方法的有效性。

原文摘要 · Abstract (English)

Leveraging the diversity and quantity of data provided by various graph-structured data augmentations while preserving intrinsic semantic information is challenging. Additionally, successive layers in graph neural network (GNN) tend to produce more similar node embeddings, while graph contrastive learning aims to increase the dissimilarity between negative pairs of node embeddings. This inevitably results in a conflict between the message-passing mechanism (MPM) of GNNs and the contrastive learning (CL) of negative pairs via intraviews. In this paper, we propose a conditional distribution learning (CDL) method that learns graph representations from graph-structured data for semisupervised graph classification. Specifically, we present an end-to-end graph representation learning model to align the conditional distributions of weakly and strongly augmented features over the original features. This alignment enables the CDL model to effectively preserve intrinsic semantic information when both weak and strong augmentations are applied to graph-structured data. To avoid the conflict between the MPM and the CL of negative pairs, positive pairs of node representations are retained for measuring the similarity between the original features and the corresponding weakly augmented features. Extensive experiments with several benchmark graph datasets demonstrate the effectiveness of the proposed CDL method.

图神经网络对比学习图分类

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