Xu Jiarong, Huang Renhong, Jiang Xin, Cao Yuxuan, Yang Carl, Wang Chunping, Yang Yang
Fudan University.
Zhejiang University.
Adv Neural Inf Process Syst. 2023 Dec;36:56946-56978. Epub 2024 May 30.
Pre-training on graph neural networks (GNNs) aims to learn transferable knowledge for downstream tasks with unlabeled data, and it has recently become an active research area. The success of graph pre-training models is often attributed to the massive amount of input data. In this paper, however, we identify the phenomenon in graph pre-training: more training data do not necessarily lead to better downstream performance. Motivated by this observation, we propose a framework for graph pre-training: fewer, but carefully chosen data are fed into a GNN model to enhance pre-training. The proposed pre-training pipeline is called the data-active graph pre-training (APT) framework, and is composed of a graph selector and a pre-training model. The graph selector chooses the most representative and instructive data points based on the inherent properties of graphs as well as . The proposed predictive uncertainty, as feedback from the pre-training model, measures the confidence level of the model in the data. When fed with the chosen data, on the other hand, the pre-training model grasps an initial understanding of the new, unseen data, and at the same time attempts to remember the knowledge learned from previous data. Therefore, the integration and interaction between these two components form a unified framework (APT), in which graph pre-training is performed in a progressive and iterative way. Experiment results show that the proposed APT is able to obtain an efficient pre-training model with fewer training data and better downstream performance.
图神经网络(GNN)的预训练旨在利用未标记数据学习可迁移知识,用于下游任务,并且最近已成为一个活跃的研究领域。图预训练模型的成功通常归因于大量的输入数据。然而,在本文中,我们发现了图预训练中的一种现象:更多的训练数据并不一定能带来更好的下游性能。受此观察结果的启发,我们提出了一种图预训练框架:将更少但经过精心挑选的数据输入到GNN模型中,以增强预训练效果。所提出的预训练流程称为数据主动图预训练(APT)框架,它由一个图选择器和一个预训练模型组成。图选择器根据图的固有属性以及所提出的预测不确定性(作为来自预训练模型的反馈,用于衡量模型对数据的置信度)来选择最具代表性和启发性的数据点。另一方面,当输入所选数据时,预训练模型对新的、未见过的数据形成初步理解,同时尝试记住从先前数据中学到的知识。因此,这两个组件之间的整合与交互形成了一个统一的框架(APT),其中图预训练以渐进和迭代的方式进行。实验结果表明,所提出的APT能够用更少的训练数据获得高效的预训练模型,并具有更好的下游性能。