arXiv:2509.23020cs.LGmath.AT2025-09被引 2

用层理论改进高阶消息传递,让模型更懂复杂结构中的数据关系

On the Sheafification of Higher-Order Message Passing

  • 用层结构重新设计消息传递机制,使高阶拓扑特征与数据更好对齐
  • 发现传统方法在k>0时失效,提出基于层上同调的新扩散模型
  • 适合研究拓扑深度学习或高阶图神经网络的科研人员

拓扑深度学习近年尝试将图学习中的消息传递范式推广到单纯复形、胞腔复形、超图等更复杂的关联结构。许多高阶消息传递(HOMP)方法可表述为以霍奇(组合)拉普拉斯算子为核心的非线性扩散过程,该算子具有归纳偏置:维度k的数据特征与维度k的拓扑特征(由底层空间的奇异上同调编码)相关。当k=0时,这对应于图拉普拉斯及其广为人知的同质性偏置。但在更高阶情形下,霍奇拉普拉斯的偏置变得模糊甚至退化。本文将层理论作为自然且严谨的框架,用于调整霍奇拉普拉斯所主导的局部与全局描述符间的扩散接口,以实现更富表达力的消息传递。层拉普拉斯的归纳偏置将维度k的数据特征与维度k的层上同调相关联,后者是奇异上同调的数据感知推广。我们在此背景下重新审视并拓展了图学习中层扩散的已有理论,并探究其在k>0时的失效原因,进而发展出适用于高阶设置的新理论与实践。全文附带自包含的层理论导引,从抽象概念逐步过渡到应用。

原文摘要 · Abstract (English)

Recent work in Topological Deep Learning (TDL) seeks to generalize graph learning's preeminent $message \ passing$ paradigm to more complex relational structures: simplicial complexes, cell complexes, hypergraphs, and combinations thereof. Many approaches to such ${higher\text{-}order \ message \ passing}$ (HOMP) admit formulation in terms of nonlinear diffusion with the Hodge (combinatorial) Laplacian, a graded operator which carries an inductive bias that dimension-$k$ data features correlate with dimension-$k$ topological features encoded in the (singular) cohomology of the underlying domain. For $k=0$ this recovers the graph Laplacian and its well-studied homophily bias. In higher gradings, however, the Hodge Laplacian's bias is more opaque and potentially even degenerate. In this essay, we position sheaf theory as a natural and principled formalism for modifying the Hodge Laplacian's diffusion-mediated interface between local and global descriptors toward more expressive message passing. The sheaf Laplacian's inductive bias correlates dimension-$k$ data features with dimension-$k$ $sheaf$ cohomology, a data-aware generalization of singular cohomology. We will contextualize and novelly extend prior theory on sheaf diffusion in graph learning ($k=0$) in such a light -- and explore how it fails to generalize to $k>0$ -- before developing novel theory and practice for the higher-order setting. Our exposition is accompanied by a self-contained introduction shepherding sheaves from the abstract to the applied.

拓扑学习层理论消息传递

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