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图基础模型:大模型时代的图学习

Graph Learning in the Era of Foundation Models

  • 摘要: 图结构数据在社交网络、交通系统、生物信息等场景中广泛存在。图神经网络(graph neural networks, GNNs)利用消息传递机制迭代地聚合邻居信息,在节点分类、链路预测和图分类等任务中展现出良好性能。然而,随着数据规模的持续扩大与应用场景的日趋复杂,GNNs面临表达能力有限与泛化能力不足等关键挑战。近年来,以大语言模型(large language models, LLMs)为代表的基础模型迅速发展,展现出卓越的泛化与推理能力,为图机器学习领域带来了新的启发。基于此,本研究提出图基础模型(graph foundation model, GFM)的概念,希望通过在大规模图数据上预训练,获得能够灵活适配多种下游任务的通用模型;同时系统梳理了近年来图基础模型的相关研究,并依据其对GNNs与LLMs的依赖程度,将现有方法归纳为3类,综述其研究进展并介绍了作者团队在相关方向的实践探索经验。最后,展望了图基础模型未来发展可能面临的关键挑战与前景,以期为图机器学习领域的持续创新提供参考。

     

    Abstract: Graph-structured data arise widely in social networks, transportation systems, and biological domains. graph neural networks (GNNs) leverage message-passing mechanism to aggregate neighborhood information and achieve strong performance on node classification, link prediction, and graph classification tasks. However, with growing data scale and increasingly complex application scenarios, GNNs face inherent limitations in expressiveness and generalization. Recent progress in foundation models, particularly large language models (LLMs), has revealed remarkable capabilities in generalization and reasoning, inspiring new paradigms for graph machine learning. Building on this inspiration, the concept of graph foundation models (GFMs) is proposed to develop general-purpose models pretrained on large-scale graph corpora and adaptable to diverse downstream tasks. This article systematically reviews recent advances in GFMs, categorizes existing approaches by their reliance on GNNs and LLMs, and summarizes our practical experience in related developments. Finally, we outline key challenges and promising research directions to guide future work.

     

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