为节点定制GNN架构,提升分布外数据的泛化能力
NodeNAS: Node-Specific Graph Neural Architecture Search for Out-of-Distribution Generalization
- 按节点特性分离拓扑与分布,实现细粒度架构定制
- 在少量训练图上仍保持优异的分布外性能
- 适合小样本、异构图数据的GNN优化场景
图神经网络(GNN)在分布偏移下性能易下降,现有图神经架构搜索(GraphNAS)方法虽能为每张图生成专属架构,但未考虑图间分布模式差异,且依赖大量训练数据。当训练图稀疏或仅有一张时,难以发现图与架构间的最优映射,无法泛化至分布外数据。本文提出节点特定的图神经架构搜索(NodeNAS),通过解耦节点拓扑与图分布,在有限数据下为不同节点定制差异化的聚合方式。进一步提出基于自适应聚合注意力的多维节点NAS(MNNAS),扩展搜索空间垂直深度,支持多维度并行节点架构定制;建模节点度数在不同同配性下的幂律分布,编码结构不变信息以指导各维度架构设计。大量实验表明,MNNAS在监督与无监督任务中均优于当前最优方法,具备出色的分布外泛化能力。
原文摘要 · Abstract (English)
Graph neural architecture search (GraphNAS) has demonstrated advantages in mitigating performance degradation of graph neural networks (GNNs) due to distribution shifts. Recent approaches introduce weight sharing across tailored architectures, generating unique GNN architectures for each graph end-to-end. However, existing GraphNAS methods do not account for distribution patterns across different graphs and heavily rely on extensive training data. With sparse or single training graphs, these methods struggle to discover optimal mappings between graphs and architectures, failing to generalize to out-of-distribution (OOD) data. In this paper, we propose node-specific graph neural architecture search(NodeNAS), which aims to tailor distinct aggregation methods for different nodes through disentangling node topology and graph distribution with limited datasets. We further propose adaptive aggregation attention based Multi-dim NodeNAS method(MNNAS), which learns an node-specific architecture customizer with good generalizability. Specifically, we extend the vertical depth of the search space, supporting simultaneous node-specific architecture customization across multiple dimensions. Moreover, we model the power-law distribution of node degrees under varying assortativity, encoding structure invariant information to guide architecture customization across each dimension. Extensive experiments across supervised and unsupervised tasks demonstrate that MNNAS surpasses state-of-the-art algorithms and achieves excellent OOD generalization.
Thank you to arXiv for use of its open access interoperability. PaperDance 不是 arXiv 官方产品;中文卡片由大模型生成,请以原文为准。