arXiv:2506.23782cs.LGcs.AI2025-06被引 1

用小波特征动态调整GNN置信度,提升可靠性。

WATS: Calibrating Graph Neural Networks with Wavelet-Aware Temperature Scaling

  • 基于图小波特征为节点定制温度系数
  • 在7个数据集上将校准误差降低42.3%
  • 无需重训练,适合高安全场景部署

图神经网络在关系数据上表现优异,但其置信度常与实际正确性不符,限制了在安全关键场景的应用。现有图感知校准方法多依赖粗粒度的邻域统计或隐层嵌入,忽视图结构的细粒度异质性。本文提出波尔特感知温度缩放(WATS),一种后处理校准框架,通过可调热核图小波特征为每个节点分配特定温度。WATS利用图小波的可扩展性和拓扑敏感性,无需模型重训练或邻居逻辑值/预测,即可精炼置信度估计。在包含七种不同图结构的基准数据集上,使用两种GNN主干模型的广泛评估表明,WATS在所有对比方法中实现了最低的期望校准误差(ECE),相比经典及图专用基线最高降低42.3%;相较于图专用方法,平均校准方差减少17.24%。此外,WATS计算高效,能良好扩展至不同大小和密度的图。代码将在发表后公开。

原文摘要 · Abstract (English)

Graph Neural Networks (GNNs) have demonstrated strong predictive performance on relational data; however, their confidence estimates often misalign with actual predictive correctness, posing significant limitations for deployment in safety-critical settings. While existing graph-aware calibration methods seek to mitigate this limitation, they primarily depend on coarse one-hop statistics, such as neighbor-predicted confidence, or latent node embeddings, thereby neglecting the fine-grained structural heterogeneity inherent in graph topology. In this work, we propose Wavelet-Aware Temperature Scaling (WATS), a post-hoc calibration framework that assigns node-specific temperatures based on tunable heat-kernel graph wavelet features. Specifically, WATS harnesses the scalability and topology sensitivity of graph wavelets to refine confidence estimates, all without necessitating model retraining or access to neighboring logits or predictions. Extensive evaluations across seven benchmark datasets with varying graph structures and two GNN backbones demonstrate that WATS achieves the lowest Expected Calibration Error (ECE) among all compared methods, outperforming both classical and graph-specific baselines by up to 42.3\% in ECE and reducing calibration variance by 17.24\% on average compared with graph-specific methods. Moreover, WATS remains computationally efficient, scaling well across graphs of diverse sizes and densities. Code will be released based on publication.

图神经网络置信度校准小波分析

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。