Any2Graph: Deep End-To-End Supervised Graph Prediction With An Optimal Transport Loss
Paul Krzakala, Junjie Yang, Rémi Flamary, Florence d'Alché-Buc, Charlotte Laclau, Matthieu Labeau
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ReproduceCode
- github.com/KrzakalaPaul/Any2GraphOfficialpytorch★ 12
Abstract
We propose Any2graph, a generic framework for end-to-end Supervised Graph Prediction (SGP) i.e. a deep learning model that predicts an entire graph for any kind of input. The framework is built on a novel Optimal Transport loss, the Partially-Masked Fused Gromov-Wasserstein, that exhibits all necessary properties (permutation invariance, differentiability and scalability) and is designed to handle any-sized graphs. Numerical experiments showcase the versatility of the approach that outperform existing competitors on a novel challenging synthetic dataset and a variety of real-world tasks such as map construction from satellite image (Sat2Graph) or molecule prediction from fingerprint (Fingerprint2Graph).
Tasks
Benchmark Results
| Dataset | Model | Metric | Claimed | Verified | Status |
|---|---|---|---|---|---|
| QM9 | ANY2GRAPH + FD | Edit Distance | 2.13 | — | Unverified |
| QM9 | FGWBARY-ILE + FD | Edit Distance | 2.84 | — | Unverified |
| QM9 | ANY2GRAPH | Edit Distance | 3.44 | — | Unverified |
| QM9 | RELATIONFORMER | Edit Distance | 9.15 | — | Unverified |