arXivDaily arXiv每日学术速递 周一至周五更新
arXiv 2406.04043cs.LGstat.ML
收藏

基于能量的图神经网络认知不确定性

Energy-based Epistemic Uncertainty for Graph Neural Networks

Munich Data Science Institute(慕尼黑数据科学研究所)

Dominik Fuchsgruber, Tom Wollschläger, Stephan Günnemann

AI总结:

提出GEBM,一种基于能量的后处理方法,通过聚合图扩散中不同结构层次的能量来量化GNN的认知不确定性,并在多种分布偏移下实现最佳分离性能。

摘要:

在具有相互依赖数据的领域(如图)中,量化图神经网络(GNN)的认知不确定性具有挑战性,因为不确定性可能出现在不同的结构尺度上。现有技术忽略了这一问题,或者仅区分结构感知和结构不可知的不确定性,而未将它们合并为单一度量。我们提出了GEBM,一种基于能量的模型(EBM),通过聚合图扩散中自然产生的不同结构层次上的能量,提供高质量的不确定性估计。与基于logit的EBM相比,我们通过正则化能量函数,可证明地在数据空间中诱导出可积密度。我们引入了对EBM的证据解释,显著提高了GNN的预测鲁棒性。我们的框架是一种简单有效的后处理方法,适用于任何对多种分布偏移敏感的预训练GNN。它在7种异常类型中的6种上持续实现分布内和分布外数据的最佳分离,同时在所有数据集上的偏移中具有最佳平均排名。

英文摘要:

In domains with interdependent data, such as graphs, quantifying the epistemic uncertainty of a Graph Neural Network (GNN) is challenging as uncertainty can arise at different structural scales. Existing techniques neglect this issue or only distinguish between structure-aware and structure-agnostic uncertainty without combining them into a single measure. We propose GEBM, an energy-based model (EBM) that provides high-quality uncertainty estimates by aggregating energy at different structural levels that naturally arise from graph diffusion. In contrast to logit-based EBMs, we provably induce an integrable density in the data space by regularizing the energy function. We introduce an evidential interpretation of our EBM that significantly improves the predictive robustness of the GNN. Our framework is a simple and effective post hoc method applicable to any pre-trained GNN that is sensitive to various distribution shifts. It consistently achieves the best separation of in-distribution and out-of-distribution data on 6 out of 7 anomaly types while having the best average rank over shifts on \emph{all} datasets.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

↑