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Weisfeiler Lehman Test on Combinatorial Complexes: Generalized Expressive Power of Topological Neural Networks

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Topological neural networks have emerged as effective tools for modeling higher-order relational structures beyond pairwise graphs, including hypergraphs, simplicial complexes, and cell complexes. However, existing Weisfeiler-Leman type expressivity analyses are typically developed on different structural domains and rely on domain-specific neighborhood systems, making their expressive powers difficult to compare within a common formalism. In this paper, we introduce the Combinatorial Complex Weisfeiler-Leman (CCWL) framework, a unified expressive power refinement defined on combinatorial complexes. By exploiting the ability of combinatorial complexes to represent both set-type relations and part-whole hierarchies, CCWL performs topological color refinement through four structural neighborhoods: boundary, co-boundary, lower adjacency, and upper adjacency. We show that, under specified lifting maps, CCWL can simulate several domain-specific WL-type refinements, thereby providing a common theoretical baseline for analyzing topological message passing. We further study the neighborhood sufficiency problem and prove that, under explicit coverage conditions, a reduced refinement using only lower- and upper-adjacent bridge information preserves the distinguishing power of the full four-neighborhood CCWL refinement. Guided by this theoretical result, we instantiate the reduced refinement as the Combinatorial Complex Isomorphism Network (CCIN). Experiments on synthetic and real-world benchmarks demonstrate that CCIN achieves competitive performance against representative graph and topological neural network baselines. Ablation studies and resource-efficiency analyses further support the effectiveness of the proposed lower/upper-neighborhood design.

Jiawen Chen, Qi Shao, Zhiqiang Ge, Duxin Chen, Wenwu Yu• 2026

Related benchmarks

TaskDatasetResultRank
Graph ClassificationPROTEINS
Accuracy76.1
1383
Graph ClassificationMUTAG
Accuracy96.4
1229
Graph ClassificationNCI1
Accuracy83.2
707
Graph ClassificationIMDB-M
Accuracy54.7
434
Graph ClassificationNCI109
Accuracy81.1
275
Graph RegressionPeptides struct LRGB (test)
MAE0.2501
255
Graph ClassificationPeptides-func LRGB (test)
AP0.6493
213
Graph ClassificationIMDB-B
Mean Accuracy78.3
181
Graph ClassificationREDDIT-B
Accuracy93.4
163
Graph ClassificationMolHIV
ROC AUC80.45
110
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