SOTAVerified

Any2Graph: Deep End-To-End Supervised Graph Prediction With An Optimal Transport Loss

2024-02-19Code Available1· sign in to hype

Paul Krzakala, Junjie Yang, Rémi Flamary, Florence d'Alché-Buc, Charlotte Laclau, Matthieu Labeau

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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).

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Benchmark Results

DatasetModelMetricClaimedVerifiedStatus
QM9ANY2GRAPH + FDEdit Distance2.13Unverified
QM9FGWBARY-ILE + FDEdit Distance2.84Unverified
QM9ANY2GRAPHEdit Distance3.44Unverified
QM9RELATIONFORMEREdit Distance9.15Unverified

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