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TopoTune: A Framework for Generalized Combinatorial Complex Neural Networks
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Proposes Generalized Combinatorial Complex Networks (GCCNs), which turn any neural network into a topological deep learning model via an ensemble of strictly augmented Hasse graphs, and releases the TopoTune software for building them.
Problem
Topological deep learning (TDL) lacks standardized, principled frameworks; existing CCNNs are message-passing only and graph-based simulations of them collapse rank information and lose topological symmetry.
Approach
Expand a combinatorial complex into one strictly augmented Hasse graph per neighborhood (ensemble of synchronized models), apply any GNN or Transformer as the neighborhood message function, and aggregate across neighborhoods; per-rank neighborhoods further allow rank-specific message passing. The framework provably generalizes and subsumes CCNNs and is more expressive.
Key results
- GCCNs outperform the best CCNN by more than one standard deviation in 11 of 16 domain/dataset combinations (5 seeds).
- On ZINC, a GCCN with GIN as neighborhood message function reaches MAE 0.19 vs. 0.34 for the best cellular CCNN.
- On Citeseer, a GCCN with GraphSAGE outperforms the best existing CCNN while being 28% smaller.
Measured effects reported in the paper
| What was changed | Where | Measured | Effect |
|---|---|---|---|
| Use an ensemble of strictly augmented Hasse graphs instead of a single augmented Hasse graph | GCCN · Cellular and simplicial benchmark datasets | performance | Helped |
| Use per-rank neighborhood structures | GCCN · PROTEINS | parameter count: 48% | Helped |
| Use GIN as the neighborhood message function | GCCN · ZINC | MAE | Helped |
Surprising findings
- GCCNs run on the ensemble of strictly augmented Hasse graphs often improve results over a single augmented Hasse graph, and GCCNs are sometimes outperformed by the best GNN from TopoBench on 2 combinations.
- Training time for GCCNs slows on larger datasets, attributed to on-the-fly graph expansion.
Limitations
- Training time grows on larger datasets due to on-the-fly graph expansion.
- Node-level tasks show less parameter savings because of larger graphs and high-dimensional features.
- Dataset-specific: no single neighborhood structure or message function dominates across tasks.
Experimental setup
Datasets: MUTAG PROTEINS NCI1 NCI109 ZINC Cora CiteSeer PubMed
Benchmarks: MUTAG PROTEINS NCI1 NCI109 ZINC Cora CiteSeer PubMed
Metrics: accuracy MAE
Baselines: CCNN (best model on TopoBench) SCCN CWN GNN (best model on TopoBench)
Builds on: combinatorial complex neural networks augmented Hasse graphs TopoBench TopoX Weisfeiler-Leman test
Closest papers by meaning
- Topological Blindspots: Understanding and Extending Topological Deep Learning Through the Lens of Expressivity (ICLR 2025 · similarity 0.90)
- Weisfeiler and Lehman Go Paths: Learning Topological Features via Path Complexes (AAAI 2024 · similarity 0.89)
- HOPSE: Scalable Higher-Order Positional and Structural Encoder for Combinatorial Representations (NeurIPS 2026 · similarity 0.88)
- E(n) Equivariant Topological Neural Networks (ICLR 2025 · similarity 0.88)
- Topological Neural Networks go Persistent, Equivariant, and Continuous (ICML 2024 · similarity 0.88)
- Deep Homomorphism Networks (NeurIPS 2024 · similarity 0.88)
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