arXiv:2510.19202cs.LGcs.AI2025-10

提出主动扩散图神经网络,解决传统模型过平滑问题。

An Active Diffusion Neural Network for Graphs

  • 引入外部信息源实现动态主动扩散
  • 通过闭式解实现无限次扩散,保持节点差异性
  • 在多任务上显著提升准确率与效率,适合复杂图学习

图神经网络(GNN)常借鉴热扩散类比来理解信息传播。然而,大多数基于扩散的GNN模拟被动热扩散,存在过平滑问题,难以捕捉全局图结构。受宇宙热寂理论启发——封闭系统中能量分布最终趋于均匀——我们意识到:若无外部输入,图中节点表示会随扩散过程趋同。为此,我们提出主动扩散图神经网络(ADGNN),通过融合多个外部信息源动态影响扩散过程,实现主动扩散,有效缓解过平滑问题。此外,本方法直接计算主动扩散迭代公式的闭式解,实现真正的无限扩散,使节点在保持独特性的同时,高效获取全局结构信息。我们在多种图任务上评估了ADGNN,结果表明其在准确率和效率上均优于多个先进GNN模型,充分验证了其在捕捉全局信息与维持节点区分性方面的有效性。

原文摘要 · Abstract (English)

The analogy to heat diffusion has enhanced our understanding of information flow in graphs and inspired the development of Graph Neural Networks (GNNs). However, most diffusion-based GNNs emulate passive heat diffusion, which still suffers from over-smoothing and limits their ability to capture global graph information. Inspired by the heat death of the universe, which posits that energy distribution becomes uniform over time in a closed system, we recognize that, without external input, node representations in a graph converge to identical feature vectors as diffusion progresses. To address this issue, we propose the Active Diffusion-based Graph Neural Network (ADGNN). ADGNN achieves active diffusion by integrating multiple external information sources that dynamically influence the diffusion process, effectively overcoming the over-smoothing problem. Furthermore, our approach realizes true infinite diffusion by directly calculating the closed-form solution of the active diffusion iterative formula. This allows nodes to preserve their unique characteristics while efficiently gaining comprehensive insights into the graph's global structure. We evaluate ADGNN against several state-of-the-art GNN models across various graph tasks. The results demonstrate that ADGNN significantly improves both accuracy and efficiency, highlighting its effectiveness in capturing global graph information and maintaining node distinctiveness.

图神经网络扩散模型主动学习

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