量化图神经网络解释中的不确定性

IF 2.4 Q3 COMPUTER SCIENCE, INFORMATION SYSTEMS Frontiers in Big Data Pub Date : 2024-05-09 DOI:10.3389/fdata.2024.1392662
Junji Jiang, Chen Ling, Hongyi Li, Guangji Bai, Xujiang Zhao, Liang Zhao
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引用次数: 0

摘要

近年来,分析图神经网络(GNN)预测的解释引起了越来越多的关注。尽管取得了这一进展,但大多数现有方法并没有充分考虑到模型参数和图数据的随机性所带来的内在不确定性,这可能会导致过度自信和错误的解释。然而,由于大多数 GNN 解释方法都是在不考虑图数据和模型参数的随机性的情况下,以事后和与模型无关的方式获得预测解释,因此量化这些不确定性对它们来说具有挑战性。针对上述问题,本文提出了一种新的 GNN 解释不确定性量化框架。为了减轻解释中图形数据的随机性,我们的框架考虑了两种不同的数据不确定性,从而可以直接评估 GNN 解释的不确定性。为了减轻所学模型参数的随机性,我们的方法直接从数据中学习参数分布,无需对特定分布进行假设。此外,模型参数内的解释不确定性也会根据学习到的参数分布进行量化。这种整体方法可以与任何事后 GNN 解释方法相结合。研究的实证结果表明,我们提出的方法为各种真实世界图基准的 GNN 解释性能设定了新标准。
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Quantifying uncertainty in graph neural network explanations
In recent years, analyzing the explanation for the prediction of Graph Neural Networks (GNNs) has attracted increasing attention. Despite this progress, most existing methods do not adequately consider the inherent uncertainties stemming from the randomness of model parameters and graph data, which may lead to overconfidence and misguiding explanations. However, it is challenging for most of GNN explanation methods to quantify these uncertainties since they obtain the prediction explanation in a post-hoc and model-agnostic manner without considering the randomness of graph data and model parameters. To address the above problems, this paper proposes a novel uncertainty quantification framework for GNN explanations. For mitigating the randomness of graph data in the explanation, our framework accounts for two distinct data uncertainties, allowing for a direct assessment of the uncertainty in GNN explanations. For mitigating the randomness of learned model parameters, our method learns the parameter distribution directly from the data, obviating the need for assumptions about specific distributions. Moreover, the explanation uncertainty within model parameters is also quantified based on the learned parameter distributions. This holistic approach can integrate with any post-hoc GNN explanation methods. Empirical results from our study show that our proposed method sets a new standard for GNN explanation performance across diverse real-world graph benchmarks.
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来源期刊
CiteScore
5.20
自引率
3.20%
发文量
122
审稿时长
13 weeks
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