arXiv:2506.02293cs.LG2025-06NeurIPS被引 3

揭示等变网络的泛化能力差异,打破分离性决定一切的误区

On Universality Classes of Equivariant Networks

  • 通过分析浅层不变网络,建立等变网络泛化类的分类框架
  • 发现具有相同分离能力的模型,泛化能力可能不同
  • 适用于研究对称性建模的深度学习架构设计者

等变神经网络为将对称性融入学习架构提供了严谨框架,其表达能力常通过区分性(即区分对称等价输入的能力)来评估,这在图学习中常以Weisfeiler-Leman层次结构形式化。然而,等变模型的泛化能力——逼近目标函数的能力——仍相对未被充分探索。本文研究了超越分离约束的等变网络近似能力。我们发现分离性并不能完全刻画表达能力:具有相同分离能力的模型可能在近似能力上存在差异。为此,我们刻画了浅层不变网络的泛化类,提供了一个理解这些架构可逼近函数的一般框架。由于等变模型在投影下退化为不变模型,该分析给出了浅层等变网络无法实现泛化的充分条件。反之,我们也识别出某些情形下浅层模型能实现受限于分离性的泛化。然而,这些正向结果高度依赖对称群的结构性质,如是否存在足够多的正规子群,而这类性质在排列对称等重要情形中可能不成立。

原文摘要 · Abstract (English)

Equivariant neural networks provide a principled framework for incorporating symmetry into learning architectures and have been extensively analyzed through the lens of their separation power, that is, the ability to distinguish inputs modulo symmetry. This notion plays a central role in settings such as graph learning, where it is often formalized via the Weisfeiler-Leman hierarchy. In contrast, the universality of equivariant models-their capacity to approximate target functions-remains comparatively underexplored. In this work, we investigate the approximation power of equivariant neural networks beyond separation constraints. We show that separation power does not fully capture expressivity: models with identical separation power may differ in their approximation ability. To demonstrate this, we characterize the universality classes of shallow invariant networks, providing a general framework for understanding which functions these architectures can approximate. Since equivariant models reduce to invariant ones under projection, this analysis yields sufficient conditions under which shallow equivariant networks fail to be universal. Conversely, we identify settings where shallow models do achieve separation-constrained universality. These positive results, however, depend critically on structural properties of the symmetry group, such as the existence of adequate normal subgroups, which may not hold in important cases like permutation symmetry.

等变网络泛化能力对称性

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