arXiv:2503.21105cs.LG2025-03KDD被引 9

通过感知数据增强差异,提升图分类准确率

AugWard: Augmentation-Aware Representation Learning for Accurate Graph Classification

  • 设计新框架,让模型学习增强图与原图的距离
  • 在多个任务上达到当前最佳性能,尤其在半监督场景
  • 适合需要抗过拟合的图分类研究者使用

图分类是数据挖掘中的关键任务,广泛应用于社交网络分析、药物发现和分子性质预测等。图神经网络虽表现优异,但易过拟合。现有方法虽使用图增强缓解过拟合,但仅简单利用增强,忽略增强带来的差异,限制了表示能力。本文提出 AugWard(基于图距离与一致性正则化的增强感知训练),通过预测增强图与原图在特征和结构层面的距离,使表示差异直接反映真实图距离。同时引入一致性正则化,提升分类器对丰富表示的处理能力。实验表明,AugWard 在监督、半监督及迁移学习任务中均达到最优性能,显著优于现有方法。

原文摘要 · Abstract (English)

How can we accurately classify graphs? Graph classification is a pivotal task in data mining with applications in social network analysis, web analysis, drug discovery, molecular property prediction, etc. Graph neural networks have achieved the state-of-the-art performance in graph classification, but they consistently struggle with overfitting. To mitigate overfitting, researchers have introduced various representation learning methods utilizing graph augmentation. However, existing methods rely on simplistic use of graph augmentation, which loses augmentation-induced differences and limits the expressiveness of representations. In this paper, we propose AugWard (Augmentation-Aware Training with Graph Distance and Consistency Regularization), a novel graph representation learning framework that carefully considers the diversity introduced by graph augmentation. AugWard applies augmentation-aware training to predict the graph distance between the augmented graph and its original one, aligning the representation difference directly with graph distance at both feature and structure levels. Furthermore, AugWard employs consistency regularization to encourage the classifier to handle richer representations. Experimental results show that AugWard gives the state-of-the-art performance in supervised, semi-supervised graph classification, and transfer learning.

图神经网络数据增强分类

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