arXiv:2604.19028cs.LG2026-04中稿 · ICLR被引 9

用合成图训练通用节点分类模型,无需针对每张图重新训练。

Learning Posterior Predictive Distributions for Node Classification from Synthetic Graph Priors

论文配图:Learning Posterior Predictive Distributions for Node Classification from Synthetic Graph Priors
图 1 · 摘自论文原文
  • 通过可控合成图学习后验预测分布,实现跨图泛化。
  • 单个模型在23个基准上平均准确率达71.27%。
  • 适合需要快速部署于新图的场景,如动态网络分析。

图机器学习中最具挑战性的问题之一是跨异构图的泛化能力。图神经网络(GNNs)存在根本性局限:需为每张新图单独训练,难以实现跨图通用性。其核心瓶颈在于对每张图都需依赖标注数据,而图间同质性水平、社区结构和特征分布的差异严重制约了通用节点分类能力。受大规模语言模型通过海量预训练实现上下文学习的启发,我们提出NodePFN——一种无需图特定训练即可泛化至任意图的通用节点分类方法。该方法仅在数千张由精心设计先验生成的合成图上训练,覆盖真实图特性,包括可调同质性的随机网络及复杂特征-标签关系的结构因果模型。我们设计双分支架构,结合上下文-查询注意力与局部消息传递,实现图感知的上下文学习。在23个基准上的大量实验表明,单一预训练的NodePFN达到71.27%平均准确率。结果验证了从合成先验中学习通用图学习模式的有效性,确立了节点分类泛化的新型范式。

原文摘要 · Abstract (English)

One of the most challenging problems in graph machine learning is generalizing across graphs with diverse properties. Graph neural networks (GNNs) face a fundamental limitation: they require separate training for each new graph, preventing universal generalization across diverse graph datasets. A critical challenge facing GNNs lies in their reliance on labeled training data for each individual graph, a requirement that hinders the capacity for universal node classification due to the heterogeneity inherent in graphs -- differences in homophily levels, community structures, and feature distributions across datasets. Inspired by the success of large language models (LLMs) that achieve in-context learning through massive-scale pre-training on diverse datasets, we introduce NodePFN. This universal node classification method generalizes to arbitrary graphs without graph-specific training. NodePFN learns posterior predictive distributions (PPDs) by training only on thousands of synthetic graphs generated from carefully designed priors. Our synthetic graph generation covers real-world graphs through the use of random networks with controllable homophily levels and structural causal models for complex feature-label relationships. We develop a dual-branch architecture combining context-query attention mechanisms with local message passing to enable graph-aware in-context learning. Extensive evaluation on 23 benchmarks demonstrates that a single pre-trained NodePFN achieves 71.27 average accuracy. These results validate that universal graph learning patterns can be effectively learned from synthetic priors, establishing a new paradigm for generalization in node classification.

图神经网络泛化能力合成数据上下文学习

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