Fine-tuning pre-trained models has recently yielded remarkable performance gains in graph neural networks (GNNs). In addition to pre-training techniques, inspired by the latest work in the natural language fields, more recent work has shifted towards applying effective fine-tuning approaches, such as parameter-efficient tuning (delta tuning). However, given the substantial differences between GNNs and transformer-based models, applying such approaches directly to GNNs proved to be less effective. In this paper, we present a comprehensive comparison of delta tuning techniques for GNNs and propose a novel delta tuning method specifically designed for GNNs, called AdapterGNN. AdapterGNN preserves the knowledge of the large pre-trained model and leverages highly expressive adapters for GNNs, which can adapt to downstream tasks effectively with only a few parameters, while also improving the model's generalization ability on the downstream tasks. Extensive experiments show that AdapterGNN achieves higher evaluation performance (outperforming full fine-tuning by 1.4% and 5.5% in the chemistry and biology domains respectively, with only 5% of its parameters tuned) and lower generalization gaps compared to full fine-tuning. Moreover, we empirically show that a larger GNN model can have a worse generalization ability, which differs from the trend observed in large language models. We have also provided a theoretical justification for delta tuning can improve the generalization ability of GNNs by applying generalization bounds.
翻译:最近,在图神经网络(GNNs)中微调预训练模型已经取得了显著的性能提升。除了预训练技术,受到最新的自然语言领域的工作的启发,更近期的工作已经转向应用有效的微调方法,如参数高效调整(delta tuning)。然而,由于GNNs和基于transformer的模型之间的显著差异,将这样的方法直接应用于GNNs被证明不太有效。在本文中,我们对GNNs的delta tuning技术进行了全面比较,并提出了一种专门为GNNs设计的新的delta tuning方法,称为AdapterGNN。AdapterGNN保留了大型预训练模型的知识,并利用高度表达力的适配器适应于GNNs的下游任务,只使用少量参数即可有效改善模型在下游任务上的泛化能力。大量实验表明,AdapterGNN在评估性能方面表现更好(化学和生物领域的性能分别比全面微调高1.4%和5.5%,只调整了其5%的参数),并且比全面微调具有低的泛化间隙。此外,我们还通过应用泛化边界实现了对于delta tuning如何提高GNNs的泛化能力的理论证明。我们还通过实验证明了更大的GNN模型可能具有更差的泛化能力,这与大型语言模型的趋势不同。