揭示GNN在结构保持下的逻辑表达能力,统一理解其理论边界。
Structural Preservation and the Logical Expressiveness of Graph Neural Networks
- 从结构保持角度分析GNN的逻辑表达力,不依赖具体架构。
- 不同结构保持性对应不同阶模态逻辑片段,如嵌入对应存在型广义模态逻辑。
- 证明了这些表达力类均能由具体GNN架构实现,具理论与实践意义。
本文从语义角度研究图神经网络(GNN)分类器在结构保持性质下的逻辑表达能力,包括嵌入、单射同态和同态的保持性。我们证明:每种保持性对应一个特定的广义模态逻辑片段——嵌入对应存在型广义模态逻辑,单射同态对应其存在正向片段,同态对应存在正向模态逻辑。这些结果在不依赖具体架构选择的前提下,刻画了广泛GNN类的表达能力。技术上,我们提出一个关于有界高度树的新良基序结果,实现了展开不变类的有限表示。
原文摘要 · Abstract (English)
Bridges between graph neural networks (GNNs) and logical formalisms have been established by fixing architectural choices, such as the types of aggregation, combination, and activation functions. These choices define restricted classes of GNNs for which tight correspondences with logical formalisms can be obtained, by showing that logical formulae can be translated into equivalent GNNs and, conversely, that GNNs can be translated into equivalent formulae. In this paper we take a semantic perspective by establishing the logical expressiveness of classes of GNN classifiers that are preserved under structural properties: embeddings (extensions), injective homomorphisms, and homomorphisms. We show that, for each such property, there exists a fragment of graded modal logic characterising the class of GNNs. In particular, preservation under embeddings, injective homomorphisms, and homomorphisms corresponds to existential graded modal logic, its existential-positive fragment, and existential-positive modal logic, respectively. These results characterise the expressiveness of broad classes of GNNs independently of specific architectural choices, but we also show that each of these classes admits a GNN architecture of the same expressiveness. Technically, our approach uses a new well-quasi-order result for trees of bounded height, yielding finite representations of unravelling-invariant classes.
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