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Track: Track1; Team name: r2; Model: OptBasisGNN#336

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Track: Track1; Team name: r2; Model: OptBasisGNN#336
aniervs wants to merge 1 commit into
geometric-intelligence:mainfrom
aniervs:track1-optbasisgnn

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@aniervs aniervs commented May 26, 2026

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Checklist

  • My pull request has a clear and explanatory title.
  • My pull request passes the Linting test.
  • I added appropriate unit tests and I made sure the code passes all unit tests. (refer to comment below)
  • My PR follows PEP8 guidelines. (refer to comment below)
  • My code is properly documented, using numpy docs conventions, and I made sure the documentation renders properly.
  • I linked to issues and PRs that are relevant to this PR.

Description

This PR contributes OptBasisGNN (Graph Neural Networks with Learnable and Optimal Polynomial Bases, Guo & Wei, ICML 2023 — arXiv:2302.12432) as a Track 1 (GNN) submission for the TDL Challenge 2026, operating on the graph domain.

OptBasisGNN is a spectral polynomial-filter GNN. It computes the optimal orthonormal polynomial basis that minimizes the filter's optimisation condition number, via an implicit three-term recurrence that never requires eigendecomposition. The only learnable parameters in the backbone are the per-channel combination coefficients α; feature transformation and readout are the standard TopoBench encoder/readout.

Draft: opening early to register the architecture.

Files (planned)

  • topobench/nn/backbones/graph/optbasis.py: the OptBasisGNN backbone.
  • configs/model/graph/optbasis.yaml
  • test/nn/backbones/graph/test_optbasis.py: unit tests.
  • test/pipeline/test_pipeline.py: set to MODELS = ["graph/optbasis"].

Integration No new wrapper, encoder, or readout is needed: the backbone follows the standard graph contract forward(x, edge_index, batch=None, edge_weight=None). It is a single decoupled filtering block of polynomial order K (depth = K propagation hops), not a stack of L message-passing layers.

Complexity. O(K·|E| + K·|V|) time (K sparse shifts + two-vector orthogonalisation per hop), O(|E| + |V|·hidden) memory.

Issue

This is a TDL Challenge 2026, Track 1 model submission. OptBasisGNN adds the learnable/optimal spectral-filter family to TopoBench (currently absent from the graph backbones), and is directly relevant to the challenge's structural-sensitivity questions: spectral filters adapt their low/high-pass response across the homophily/heterophily axis that GraphUniverse sweeps.

Additional context

  • Paper: Guo & Wei, Graph Neural Networks with Learnable and Optimal Polynomial Bases, ICML 2023, arXiv:2302.12432. Reference code: github.com/yuziGuo/FarOptBasis.

@aniervs aniervs marked this pull request as draft May 26, 2026 02:20
@aniervs aniervs changed the title Track: Track1; Team name: r2; Model: OptBasisGNN (Graph Neural Networks with Learnable and Optimal Polynomial Bases) Track: Track1; Team name: r2; Model: OptBasisGNN May 26, 2026
@LouisVanLangendonck LouisVanLangendonck added the track-1-gnn 2026 Topological Deep Learning Challenge -- Track 1 GNNs label May 26, 2026
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