Papers › Fine-tuning Graph Neural Networks by Preserving Graph Generative Patterns

Fine-tuning Graph Neural Networks by Preserving Graph Generative Patterns

21 Dec 2023arXiv:2312.13583archive 2025-07-28

Yifei Sun, Qi Zhu, Yang Yang, Chunping Wang, Tianyu Fan, Jiajun Zhu, Lei Chen

Recently, the paradigm of pre-training and fine-tuning graph neural networks has been intensively studied and applied in a wide range of graph mining tasks. Its success is generally attributed to the structural consistency between pre-training and downstream datasets, which, however, does not hold in many real-world scenarios. Existing works have shown that the structural divergence between pre-training and downstream graphs significantly limits the transferability when using the vanilla fine-tuning strategy. This divergence leads to model overfitting on pre-training graphs and causes difficulties in capturing the structural properties of the downstream graphs. In this paper, we identify the fundamental cause of structural divergence as the discrepancy of generative patterns between the pre-training and downstream graphs. Furthermore, we propose G-Tuning to preserve the generative patterns of downstream graphs. Given a downstream graph G, the core idea is to tune the pre-trained GNN so that it can reconstruct the generative patterns of G, the graphon W. However, the exact reconstruction of a graphon is known to be computationally expensive. To overcome this challenge, we provide a theoretical analysis that establishes the existence of a set of alternative graphons called graphon bases for any given graphon. By utilizing a linear combination of these graphon bases, we can efficiently approximate W. This theoretical finding forms the basis of our proposed model, as it enables effective learning of the graphon bases and their associated coefficients. Compared with existing algorithms, G-Tuning demonstrates an average improvement of 0.5% and 2.6% on in-domain and out-of-domain transfer learning experiments, respectively.

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align_graphs zjunet/G-Tuning/GCC-based/methods/learner.py official repository ran · our draft was wrong no licence file found · pointer only · d894f2c5cbab6c96 · report
distance_matrix zjunet/G-Tuning/GCC-based/ot_distance.py official repository ran fingerprinted no licence file found · pointer only · 8f6a0627aad6b737 · report
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estimate_target_distribution zjunet/G-Tuning/GCC-based/methods/learner.py official repository ran · honoured contract no licence file found · pointer only · 6faf9171aaf972ca · report
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Tasks

Graph ClassificationGraph LearningGraph MiningGraph Neural NetworkTransfer Learning

Results from the paper archive 2025-07-28

TaskDatasetModelMetricValueRank at snapshotLeaderboardReport
Graph Classification BACE G-Tuning ROC-AUC 84.79 #1 of 2 Archive leaderboard report
Graph Classification BBBP G-Tuning ROC-AUC 72.59 #1 of 3 Archive leaderboard report
Graph Classification ENZYMES G-Tuning Accuracy (10-fold) 26.70 #54 of 54 Archive leaderboard report
Graph Classification HIV G-Tuning ROC-AUC 77.33 #3 of 3 Archive leaderboard report
Graph Classification IMDb-B G-Tuning Accuracy (10-fold) 74.30 #51 of 51 Archive leaderboard report
Graph Classification IMDb-M G-Tuning Accuracy (10-fold) 51.80 #36 of 36 Archive leaderboard report
Graph Classification MSRC-21 (per-class) G-Tuning Accuracy (10 fold) 11.01 #1 of 1 Archive leaderboard report
Graph Classification MUTAG G-Tuning Accuracy (10 fold) 86.14 #74 of 74 Archive leaderboard report
Graph Classification MUV G-Tuning ROC-AUC 75.84 #2 of 2 Archive leaderboard report
Graph Classification PROTEINS G-Tuning Accuracy (10 fold) 72.05 #102 of 103 Archive leaderboard report
Graph Classification REDDIT-12K G-Tuning Accuracy (10 fold) 42.80 #1 of 1 Archive leaderboard report
Graph Classification SIDER G-Tuning ROC-AUC 61.40 #2 of 2 Archive leaderboard report
Graph Classification Tox21 G-Tuning ROC-AUC 75.80 #2 of 3 Archive leaderboard report
Graph Classification ToxCast G-Tuning ROC-AUC 64.25 #2 of 3 Archive leaderboard report
Graph Classification clintox G-Tuning ROC-AUC 74.64 #1 of 2 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

Discriminative Fine-TuningGraph Neural Network

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