arXiv:2504.21254cs.LGcs.NE2025-04中稿 · *Knowledge-Based S…被引 6

自动搜索图神经网络架构,提升复杂图结构的表示学习能力。

ABG-NAS: Adaptive Bayesian Genetic Neural Architecture Search for Graph Representation Learning

  • 用自适应遗传算法在多样操作中搜索最优图网络结构
  • 在Cora等数据集上超越人工设计与主流NAS方法
  • 适合需要高效、自适应图表示的学习任务

有效的图表示学习对节点分类、链接预测和子图搜索等下游任务至关重要。然而,现有图神经网络架构难以适应多样复杂的图结构,限制了其生成结构感知与任务区分性表示的能力。为此,我们提出ABG-NAS,一种面向高效图表示学习的自动化图神经网络架构搜索框架。该框架包含三个核心组件:综合架构搜索空间(CASS)、自适应遗传优化策略(AGOS)和贝叶斯引导调优模块(BGTM)。CASS系统地探索多种传播(P)与变换(T)操作,以发现能捕捉复杂图特性的网络结构;AGOS动态平衡探索与利用,确保搜索效率并保持解多样性;BGTM定期优化超参数,提升所得架构的可扩展性与鲁棒性。在基准数据集(Cora、PubMed、Citeseer、CoraFull)上的实证评估表明,ABG-NAS始终优于人工设计的GNN及当前最先进的NAS方法。结果表明,ABG-NAS有望通过提供可扩展且自适应的解决方案,推动图表示学习的发展。代码已开源:https://github.com/sserranw/ABG-NAS。

原文摘要 · Abstract (English)

Effective and efficient graph representation learning is essential for enabling critical downstream tasks, such as node classification, link prediction, and subgraph search. However, existing graph neural network (GNN) architectures often struggle to adapt to diverse and complex graph structures, limiting their ability to produce structure-aware and task-discriminative representations. To address this challenge, we propose ABG-NAS, a novel framework for automated graph neural network architecture search tailored for efficient graph representation learning. ABG-NAS encompasses three key components: a Comprehensive Architecture Search Space (CASS), an Adaptive Genetic Optimization Strategy (AGOS), and a Bayesian-Guided Tuning Module (BGTM). CASS systematically explores diverse propagation (P) and transformation (T) operations, enabling the discovery of GNN architectures capable of capturing intricate graph characteristics. AGOS dynamically balances exploration and exploitation, ensuring search efficiency and preserving solution diversity. BGTM further optimizes hyperparameters periodically, enhancing the scalability and robustness of the resulting architectures. Empirical evaluations on benchmark datasets (Cora, PubMed, Citeseer, and CoraFull) demonstrate that ABG-NAS consistently outperforms both manually designed GNNs and state-of-the-art neural architecture search (NAS) methods. These results highlight the potential of ABG-NAS to advance graph representation learning by providing scalable and adaptive solutions for diverse graph structures. Our code is publicly available at https://github.com/sserranw/ABG-NAS.

图神经网络架构搜索自适应优化

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