Weisfeiler Lehman Test on Combinatorial Complexes: Generalized Expressive Power of Topological Neural Networks
About
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.
Related benchmarks
| Task | Dataset | Result | Rank | |
|---|---|---|---|---|
| Graph Classification | PROTEINS | Accuracy76.1 | 1383 | |
| Graph Classification | MUTAG | Accuracy96.4 | 1229 | |
| Graph Classification | NCI1 | Accuracy83.2 | 707 | |
| Graph Classification | IMDB-M | Accuracy54.7 | 434 | |
| Graph Classification | NCI109 | Accuracy81.1 | 275 | |
| Graph Regression | Peptides struct LRGB (test) | MAE0.2501 | 255 | |
| Graph Classification | Peptides-func LRGB (test) | AP0.6493 | 213 | |
| Graph Classification | IMDB-B | Mean Accuracy78.3 | 181 | |
| Graph Classification | REDDIT-B | Accuracy93.4 | 163 | |
| Graph Classification | MolHIV | ROC AUC80.45 | 110 |