GETS: Ensemble Temperature Scaling for Calibration in Graph Neural Networks

Fuente: arXiv
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Autores principales: Zhuang, Dingyi, Jiang, Chonghe, Zheng, Yunhan, Wang, Shenhao, Zhao, Jinhua
Formato: Preprint
Publicado: 2024
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author Zhuang, Dingyi
Jiang, Chonghe
Zheng, Yunhan
Wang, Shenhao
Zhao, Jinhua
author_facet Zhuang, Dingyi
Jiang, Chonghe
Zheng, Yunhan
Wang, Shenhao
Zhao, Jinhua
contents Graph Neural Networks deliver strong classification results but often suffer from poor calibration performance, leading to overconfidence or underconfidence. This is particularly problematic in high stakes applications where accurate uncertainty estimates are essential. Existing post hoc methods, such as temperature scaling, fail to effectively utilize graph structures, while current GNN calibration methods often overlook the potential of leveraging diverse input information and model ensembles jointly. In the paper, we propose Graph Ensemble Temperature Scaling, a novel calibration framework that combines input and model ensemble strategies within a Graph Mixture of Experts archi SOTA calibration techniques, reducing expected calibration error by 25 percent across 10 GNN benchmark datasets. Additionally, GETS is computationally efficient, scalable, and capable of selecting effective input combinations for improved calibration performance. The implementation is available via Github.
format Preprint
id arxiv_https___arxiv_org_abs_2410_09570
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle GETS: Ensemble Temperature Scaling for Calibration in Graph Neural Networks
Zhuang, Dingyi
Jiang, Chonghe
Zheng, Yunhan
Wang, Shenhao
Zhao, Jinhua
Machine Learning
Graph Neural Networks deliver strong classification results but often suffer from poor calibration performance, leading to overconfidence or underconfidence. This is particularly problematic in high stakes applications where accurate uncertainty estimates are essential. Existing post hoc methods, such as temperature scaling, fail to effectively utilize graph structures, while current GNN calibration methods often overlook the potential of leveraging diverse input information and model ensembles jointly. In the paper, we propose Graph Ensemble Temperature Scaling, a novel calibration framework that combines input and model ensemble strategies within a Graph Mixture of Experts archi SOTA calibration techniques, reducing expected calibration error by 25 percent across 10 GNN benchmark datasets. Additionally, GETS is computationally efficient, scalable, and capable of selecting effective input combinations for improved calibration performance. The implementation is available via Github.
title GETS: Ensemble Temperature Scaling for Calibration in Graph Neural Networks
topic Machine Learning
url https://arxiv.org/abs/2410.09570