arXiv:2411.13137cs.LGeess.SP2024-11

通过优化图神经网络架构提升跨域迁移性能,效果优于现有方法。

Domain Adaptive Unfolded Graph Neural Networks

  • 设计可优化的展开式图神经网络,利用双层优化机制增强跨域适应性。
  • 提出级联传播策略,使目标域下层目标函数值下降,上层目标随之优化。
  • 在五个真实数据集上验证有效,适用于多种展开式GNN结构,适合研究跨域学习者。

过去十年中,图神经网络(GNN)在众多图机器学习任务中取得了显著进展。在实际应用中,当存在领域偏移且目标域标签不可用时,图域适应(GDA)方法被提出以实现从源域到目标域的知识迁移。以往工作主要关注对齐源域与目标域生成的节点嵌入分布,但对底层GNN架构的影响关注不足。本文探索这一独立方向:如何通过架构改进促进GDA。具体地,我们研究一类基于优化问题设计的GNN——展开式GNN(UGNN),其训练过程可表示为双层优化。实证与理论分析表明,从源域迁移到目标域时,UGNN生成的下层目标函数值显著上升,导致上层目标也上升。受此启发,我们提出一种简单而有效的策略——级联传播(CP),可保证下层目标函数值下降。该策略广泛适用于各类UGNN,我们在三种代表性架构上评估其有效性。在五个真实数据集上的大量实验表明,集成CP的UGNN显著优于当前最优的GDA基线方法。

原文摘要 · Abstract (English)

Over the last decade, graph neural networks (GNNs) have made significant progress in numerous graph machine learning tasks. In real-world applications, where domain shifts occur and labels are often unavailable for a new target domain, graph domain adaptation (GDA) approaches have been proposed to facilitate knowledge transfer from the source domain to the target domain. Previous efforts in tackling distribution shifts across domains have mainly focused on aligning the node embedding distributions generated by the GNNs in the source and target domains. However, as the core part of GDA approaches, the impact of the underlying GNN architecture has received limited attention. In this work, we explore this orthogonal direction, i.e., how to facilitate GDA with architectural enhancement. In particular, we consider a class of GNNs that are designed explicitly based on optimization problems, namely unfolded GNNs (UGNNs), whose training process can be represented as bi-level optimization. Empirical and theoretical analyses demonstrate that when transferring from the source domain to the target domain, the lower-level objective value generated by the UGNNs significantly increases, resulting in an increase in the upper-level objective as well. Motivated by this observation, we propose a simple yet effective strategy called cascaded propagation (CP), which is guaranteed to decrease the lower-level objective value. The CP strategy is widely applicable to general UGNNs, and we evaluate its efficacy with three representative UGNN architectures. Extensive experiments on five real-world datasets demonstrate that the UGNNs integrated with CP outperform state-of-the-art GDA baselines.

图神经网络域适应优化架构展开模型

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