Active and Semi-Supervised Graph Neural Networks for Graph Classification

Abstract

Graph classification aims to predict the class labels of graphs and has a wide range of applications in many real-world domains. However, most of existing graph neural networks for graph classification tasks use 90 <inline-formula><tex-math notation="LaTeX">$\%$</tex-math></inline-formula> of labeled graphs for training and the remaining 10 <inline-formula><tex-math notation="LaTeX">$\%$</tex-math></inline-formula> for testing, which obviously struggle in solving the problem of the scarcity of labeled graphs in real-world graph classification scenarios. And it is arduous to label a large number of graph examples for training because of the difficulty and resource consumption in the tagging process. Motivated by this, we propose a novel active and semi-supervised graph neural network (ASGNN) framework, which endeavors to complete graph classification tasks with a small number of labeled graph examples and available unlabeled graph examples. In our framework, active learning selects high-uncertain and representative graph examples from the test set and add them to the training set after annotation. Semi-supervised learning is utilized to select the high-confidence unlabeled graph examples containing structural information from the test set, and add them to the training set after pseudo labeling. To improve the generalization performance of the graph classification model, multiple GNNs are trained collaboratively for promoting the expressiveness of each other and increasing the reliability of graph classification results. Overall, the ASGNN framework takes fully use of unlabeled graph examples to reinforce graph classification effectively, and can be applied to any existing supervised graph neural networks for graph classification. Experimental results on benchmark graph datasets demonstrate that the proposed framework yields competitive performance on graph classification tasks with only a small number of labeled graph examples.