GTAP: Graph Topology-Aware Pre-Training for Graph Classification

Graph Convolutional Networks (GCNs) are widely used for graph-structured data, but graph pre-training still lacks simple structural objectives that can be applied when semantic annotations are unavailable. This paper proposes GTAP (Graph Topology-Aware Pre-training), a self-supervised initialization framework for within-dataset graph classification. GTAP constructs derived high-order neighborhood graphs from powers of the adjacency matrix and groups them by parity, using odd-order derived neighborhood graphs as the positive class and even-order derived neighborhood graphs as the negative class. The objective trains a lightweight GCN encoder to distinguish multi-order structural views before supervised downstream training. GTAP pre-training uses only unlabeled graph structure and node features from the benchmark dataset. The downstream classifier is then evaluated with fixed 10-fold cross-validation, with label supervision restricted to the training split of each fold. Experiments on seven public graph classification benchmarks show that GTAP improves over a matched GCN trained from scratch and achieves competitive accuracy against published baselines on most datasets with available results. The results support parity-based multi-order structural pre-training as a within-dataset unlabeled signal, while fully inductive pre-training and cross-dataset transfer remain important future work.

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Publication Details

Journal
Electronics
Published
2026-09-24
DOI
https://doi.org/10.3390/electronics15194390
Primary Topic
Advanced Graph Neural Networks
Type
article
Field-Weighted Citation Impact
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article

GTAP: Graph Topology-Aware Pre-Training for Graph Classification

Chaochao Hu, Zhaohui Zhang
Electronics
Advanced Graph Neural Networks
article

GTAP: Graph Topology-Aware Pre-Training for Graph Classification

Chaochao Hu, Zhaohui Zhang
article en

Abstract

Graph Convolutional Networks (GCNs) are widely used for graph-structured data, but graph pre-training still lacks simple structural objectives that can be applied when semantic annotations are unavailable. This paper proposes GTAP (Graph Topology-Aware Pre-training), a self-supervised initialization framework for within-dataset graph classification. GTAP constructs derived high-order neighborhood graphs from powers of the adjacency matrix and groups them by parity, using odd-order derived neighborhood graphs as the positive class and even-order derived neighborhood graphs as the negative class. The objective trains a lightweight GCN encoder to distinguish multi-order structural views before supervised downstream training. GTAP pre-training uses only unlabeled graph structure and node features from the benchmark dataset. The downstream classifier is then evaluated with fixed 10-fold cross-validation, with label supervision restricted to the training split of each fold. Experiments on seven public graph classification benchmarks show that GTAP improves over a matched GCN trained from scratch and achieves competitive accuracy against published baselines on most datasets with available results. The results support parity-based multi-order structural pre-training as a within-dataset unlabeled signal, while fully inductive pre-training and cross-dataset transfer remain important future work.

ElectronicsVol. 15(19)
Donghua University (CN)
Openalex Percentile: Top 9%
Advanced Graph Neural Networks
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