Mathematical Invariant-Enabled Topological Neural Networks for Molecular and Materials Property Prediction
q-bio.BM, cs.LG
Submitted: 2026-10-06
Updated: 2026-10-06
Sources
- Directional Message Passing for Molecular Graphs
- Topological Deep Learning: Going Beyond Graph Data
- Bayesian Sheaf Neural Networks
- Copresheaf Topological Neural Networks: A Generalized Deep Learning Framework
- Simplicial Neural Networks
- Topological Neural Networks go Persistent, Equivariant, and Continuous
- PETLS: PErsistent Topological Laplacian Software
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