arXiv:2603.22984cs.LGcs.AI2026-03中稿 · ICLR

现有图模型难跨架构泛化,本文提出推理时自适应调整架构的新方法。

Can Graph Foundation Models Generalize Over Architecture?

  • 通过发现并混合任务特异的线性图算子,在推理时动态调整GNN架构。
  • 在不同范围的合成任务上,性能显著优于固定架构的基线模型。
  • 适合需要跨领域、跨图结构泛化的研究者和工程应用。

图基础模型(GFMs)近年来受到关注,因其有望实现零样本跨任意规模、特征维度和领域的图神经网络(GNN)泛化。尽管现有工作在多种真实世界基准上验证了该能力,但这些任务存在关键隐含限制:仅支持有限的有效GNN架构。当前无领域依赖的GFMs依赖固定架构主干,隐含假设单一消息传递机制适用于所有任务。本文认为架构自适应是真正图基础模型的必要条件。我们通过理论分析与受控合成实验表明,固定主干的GFMs在架构需求与训练时不同的任务上必然表现不足。为此,我们提出一种框架,在推理时通过发现并混合任务特定的线性图算子来动态适应有效架构,实现无需重训练的零样本跨异构架构泛化。我们在任意范围的合成任务及一系列真实世界基准上验证了该方法,结果表明其性能与鲁棒性均优于现有无领域依赖的GFMs。

原文摘要 · Abstract (English)

Graph foundation models (GFMs) have recently attracted interest due to the promise of graph neural network (GNN) architectures that generalize zero-shot across graphs of arbitrary scales, feature dimensions, and domains. While existing work has demonstrated this ability empirically across diverse real-world benchmarks, these tasks share a crucial hidden limitation: they admit a narrow set of effective GNN architectures. In particular, current domain-agnostic GFMs rely on fixed architectural backbones, implicitly assuming that a single message-passing regime suffices across tasks. In this paper, we argue that architecture adaptivity is a necessary requirement for true GFMs. We show that existing approaches are non-robust to task-dependent architectural attributes and, as a case study, use range as a minimal and measurable axis along which this limitation becomes explicit. With theoretical analysis and controlled synthetic experiments, we demonstrate that fixed-backbone GFMs provably under-reach on tasks whose architectural requirements differ from those seen at training time. To address this issue, we introduce a framework that adapts effective GNN architecture at inference time by discovering and mixing task-specific linear graph operators, enabling zero-shot generalization across tasks with heterogeneous architectural requirements, without retraining. We validate our approach on arbitrary-range synthetic tasks and a suite of real-world benchmarks, demonstrating improved performance and robustness over existing domain-agnostic GFMs.

图神经网络架构自适应零样本泛化

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