Papers › Graph convolutions that can finally model local structure
Graph convolutions that can finally model local structure
Rémy Brossard, Oriel Frigo, David Dehaene
Despite quick progress in the last few years, recent studies have shown that modern graph neural networks can still fail at very simple tasks, like detecting small cycles. This hints at the fact that current networks fail to catch information about the local structure, which is problematic if the downstream task heavily relies on graph substructure analysis, as in the context of chemistry. We propose a very simple correction to the now standard GIN convolution that enables the network to detect small cycles with nearly no cost in terms of computation time and number of parameters. Tested on real life molecule property datasets, our model consistently improves performance on large multi-tasked datasets over all baselines, both globally and on a per-task setting.
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Code
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Tasks
Results from the paper archive 2025-07-28
| Task | Dataset | Model | Metric | Value | Rank at snapshot | Leaderboard | Report |
|---|---|---|---|---|---|---|---|
| Graph Property Prediction | ogbg-molpcba | GINE+ w/ APPNP | Ext. data | No | #15 of 36 | Archive leaderboard | report |
| Graph Property Prediction | ogbg-molpcba | GINE+ w/ APPNP | Number of params | 6147029 | #15 of 36 | Archive leaderboard | report |
| Graph Property Prediction | ogbg-molpcba | GINE+ w/ APPNP | Test AP | 0.2979 ± 0.0030 | #15 of 36 | Archive leaderboard | report |
| Graph Property Prediction | ogbg-molpcba | GINE+ w/ APPNP | Validation AP | 0.3126 ± 0.0023 | #15 of 36 | Archive leaderboard | report |
| Graph Property Prediction | ogbg-molpcba | GINE+ w/ virtual nodes | Ext. data | No | #19 of 36 | Archive leaderboard | report |
| Graph Property Prediction | ogbg-molpcba | GINE+ w/ virtual nodes | Number of params | 6147029 | #19 of 36 | Archive leaderboard | report |
| Graph Property Prediction | ogbg-molpcba | GINE+ w/ virtual nodes | Test AP | 0.2917 ± 0.0015 | #19 of 36 | Archive leaderboard | report |
| Graph Property Prediction | ogbg-molpcba | GINE+ w/ virtual nodes | Validation AP | 0.3065 ± 0.0030 | #19 of 36 | Archive leaderboard | report |
Ranks are positions in the archive's leaderboards as they stood at the 2025-07-28 snapshot. Results published since then are not among these rows, so a rank here is not a current standing.
Methods
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