PyG-SSL: A Graph Self-Supervised Learning Toolkit
Lecheng Zheng, Baoyu Jing, Zihao Li, Zhichen Zeng, Tianxin Wei, Mengting Ai, Xinrui He, Lihui Liu, Dongqi Fu, Jiaxuan You, Hanghang Tong, Jingrui He
TL;DR
PyG-SSL addresses onboarding and reproducibility challenges in graph SSL by delivering a PyTorch-based toolkit with a unified workflow for data loading, model training, and evaluation across diverse graph types. It unifies multiple state-of-the-art SSL methods under a common interface and provides tutorials and best-practice hyperparameters to facilitate reproduction. Empirical evaluation across node and graph classification tasks demonstrates competitive performance and offers practical guidance on method selection for different tasks. By integrating transparent documentation and CI-tested code, PyG-SSL aims to accelerate experimentation and collaboration in graph SSL research and applications.
Abstract
Graph Self-Supervised Learning (SSL) has emerged as a pivotal area of research in recent years. By engaging in pretext tasks to learn the intricate topological structures and properties of graphs using unlabeled data, these graph SSL models achieve enhanced performance, improved generalization, and heightened robustness. Despite the remarkable achievements of these graph SSL methods, their current implementation poses significant challenges for beginners and practitioners due to the complex nature of graph structures, inconsistent evaluation metrics, and concerns regarding reproducibility hinder further progress in this field. Recognizing the growing interest within the research community, there is an urgent need for a comprehensive, beginner-friendly, and accessible toolkit consisting of the most representative graph SSL algorithms. To address these challenges, we present a Graph SSL toolkit named PyG-SSL, which is built upon PyTorch and is compatible with various deep learning and scientific computing backends. Within the toolkit, we offer a unified framework encompassing dataset loading, hyper-parameter configuration, model training, and comprehensive performance evaluation for diverse downstream tasks. Moreover, we provide beginner-friendly tutorials and the best hyper-parameters of each graph SSL algorithm on different graph datasets, facilitating the reproduction of results. The GitHub repository of the library is https://github.com/iDEA-iSAIL-Lab-UIUC/pyg-ssl.