论文标题
图形分类的对比自我监督学习
Contrastive Self-supervised Learning for Graph Classification
论文作者
论文摘要
图形分类是一个广泛研究的问题,并且具有广泛的应用。在许多现实世界中,可用于训练分类模型的标记图的数量有限,这使这些模型容易过度拟合。为了解决这个问题,我们提出了两种基于对比的自我监督学习(CSSL)的方法,以减轻过度拟合的方法。在第一种方法中,我们使用CSSL在不依赖人提供的标签的情况下在广泛可用的无标记图上预处理图形编码器,然后对标记图上预识别的编码器进行修复。在第二种方法中,我们基于CSSL开发正规器,并同时解决监督分类任务和无监督的CSSL任务。要在图形上执行CSSL,鉴于原始图的集合,我们执行数据增强以从原始图中创建增强图。通过连续应用一系列图形更改操作来创建增强图。通过判断两个增强图是否来自同一原始图,将对比度损失定义为学习图形编码器。各种图形分类数据集的实验证明了我们提出的方法的有效性。
Graph classification is a widely studied problem and has broad applications. In many real-world problems, the number of labeled graphs available for training classification models is limited, which renders these models prone to overfitting. To address this problem, we propose two approaches based on contrastive self-supervised learning (CSSL) to alleviate overfitting. In the first approach, we use CSSL to pretrain graph encoders on widely-available unlabeled graphs without relying on human-provided labels, then finetune the pretrained encoders on labeled graphs. In the second approach, we develop a regularizer based on CSSL, and solve the supervised classification task and the unsupervised CSSL task simultaneously. To perform CSSL on graphs, given a collection of original graphs, we perform data augmentation to create augmented graphs out of the original graphs. An augmented graph is created by consecutively applying a sequence of graph alteration operations. A contrastive loss is defined to learn graph encoders by judging whether two augmented graphs are from the same original graph. Experiments on various graph classification datasets demonstrate the effectiveness of our proposed methods.