arXiv:2510.17378cs.LG2025-10

通过生成模型等价图,揭示图神经网络的过度不变性

Model Metamers Reveal Invariances in Graph Neural Networks

  • 设计等价图生成方法,使不同结构节点激活一致
  • 发现经典GNN在多种任务中存在极端表示不变性
  • 提供新评测基准,适合研究模型泛化与鲁棒性

近年来,深度神经网络被广泛用于感知系统,以学习具备不变性的表示,试图模仿人类大脑中的不变性机制。然而,视觉和听觉领域的研究表明,人工神经网络与人类在不变性方面仍存在显著差距。为探究图神经网络(GNN)中的不变性行为,我们引入模型“等价图”生成技术。通过优化输入图,使其内部节点激活与参考图一致,得到在模型表示空间中等价但结构和节点特征差异显著的图。理论分析聚焦于单个节点的局部等价图维度及等价流形的激活诱导体积变化。利用该方法,我们在多个经典GNN架构中发现了极端的表示不变性。尽管针对模型架构和训练策略的改进可部分缓解这种过度不变性,但无法从根本上缩小与人类级不变性的差距。最后,我们量化了等价图与原始图之间的偏差,揭示当前GNN的独特失效模式,并提供互补的模型评估基准。

原文摘要 · Abstract (English)

In recent years, deep neural networks have been extensively employed in perceptual systems to learn representations endowed with invariances, aiming to emulate the invariance mechanisms observed in the human brain. However, studies in the visual and auditory domains have confirmed that significant gaps remain between the invariance properties of artificial neural networks and those of humans. To investigate the invariance behavior within graph neural networks (GNNs), we introduce a model ``metamers'' generation technique. By optimizing input graphs such that their internal node activations match those of a reference graph, we obtain graphs that are equivalent in the model's representation space, yet differ significantly in both structure and node features. Our theoretical analysis focuses on two aspects: the local metamer dimension for a single node and the activation-induced volume change of the metamer manifold. Utilizing this approach, we uncover extreme levels of representational invariance across several classic GNN architectures. Although targeted modifications to model architecture and training strategies can partially mitigate this excessive invariance, they fail to fundamentally bridge the gap to human-like invariance. Finally, we quantify the deviation between metamer graphs and their original counterparts, revealing unique failure modes of current GNNs and providing a complementary benchmark for model evaluation.

图神经网络不变性模型评估等价图

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