Papers › Graph convolutions that can finally model local structure

Graph convolutions that can finally model local structure

30 Nov 2020arXiv:2011.15069archive 2025-07-28

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

RBrossard/GINEPLUS officialmentioned in papermentioned on GitHubpytorch report

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Tasks

Graph Property Prediction

Results from the paper archive 2025-07-28

TaskDatasetModelMetricValueRank at snapshotLeaderboardReport
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

ConvolutionGIN

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