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N2GON: Neural Networks for Graph-of-Net with Position Awareness

ICML 2025 · Graph learning › GNN architectures · approach: Graph structure learning

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Proposes Graph-of-Net (GON), where each node is itself a graph, and N2GON, a dual-encoder position-aware network with a PageRank-based constraint network that is evaluated on node classification and biomedical interaction prediction.

Problem

Standard graph learning treats graphs as flat units and misses multi-level structure where each node is itself a graph connected in a larger network, such as proteins in protein-protein interaction networks.

Approach

Dual encoders (one for intra-node-graph structure, one for inter-graph network) plus a label-based constraint network refined by Personalized PageRank scores, used in a contrastive-style loss that pulls together similar node-graph representations according to label agreement and network proximity.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
Use N2GON instead of the strongest listed baselinenode classification · Texas, Wisconsin, Actor, Chameleon, Cornell, CiteSeer, Pubmed, and CoraaccuracyHelped
Use N2GON instead of HopGNNnode classification · Squirrelaccuracy: 64.23±1.33 -> 60.98±2.12Hurt
Use N2GON instead of the strongest listed baselinebiomedical interaction prediction · PPI:HuRIROC-AUC: 88.81 ± 4.14 -> 89.83 ± 3.52Helped
Use N2GON instead of ConjointTriadbiomedical interaction prediction · PPI:HuRIPR-AUC: 91.01 ± 7.18 -> 91.37 ± 5.23Helped
Use N2GON instead of ESPFbiomedical interaction prediction · PEPMHC:MHC1ROC-AUC: 93.31 ± 5.12 -> 93.77 ± 6.23Helped
Use N2GON instead of ESPFbiomedical interaction prediction · PEPMHC:MHC1PR-AUC: 87.46 ± 6.18 -> 86.94 ± 4.65Hurt
Use N2GON instead of the strongest listed baselinebiomedical interaction prediction · TCR:WeberROC-AUC: 86.51 ± 6.91 -> 89.78 ± 7.38Helped
Use N2GON instead of Transformerbiomedical interaction prediction · TCR:WeberPR-AUC: 84.35 ± 3.80 -> 89.75 ± 2.35Helped
Use N2GON instead of the strongest listed baselinebiomedical interaction prediction · MTI:miRTarBaseROC-AUC: 89.53 ± 6.71 -> 91.55 ± 7.49Helped
Use N2GON instead of ConjointTriadbiomedical interaction prediction · MTI:miRTarBasePR-AUC: 82.82 ± 4.56 -> 84.66 ± 3.95Helped
Remove Grapher II (ablation)N2GON · Squirrelaccuracy: 60.98±2.12 -> 59.10±2.48Hurt
Remove Grapher II (ablation)N2GON · Coraaccuracy: 89.14±2.01 -> 87.22±1.83Hurt

Surprising findings

Limitations

Experimental setup

Datasets: Cora CiteSeer PubMed Texas Wisconsin Cornell Actor Squirrel Chameleon DAVIS KIBA TWOSIDES

Benchmarks: Cora CiteSeer PubMed Texas Wisconsin Cornell Actor Squirrel Chameleon DAVIS KIBA TWOSIDES

Metrics: accuracy ROC-AUC PR-AUC

Baselines: MLP GCN GAT GraphSAGE GCNII H2GCN ACM-GCN GGCN HopGNN GoGNN AAC ConjointTriad

Builds on: GCN Personalized PageRank HopGNN Geom-GCN

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