论文标题

对图形神经网络的忠实且一致的解释

Towards Faithful and Consistent Explanations for Graph Neural Networks

论文作者

Zhao, Tianxiang, Luo, Dongsheng, Zhang, Xiang, Wang, Suhang

论文摘要

近年来,揭示了图神经网络(GNN)的预测背后的理由。实例级别的GNN解释旨在发现目标GNN依赖于做出预测的关键输入元素,例如节点或边缘。尽管提出了各种算法,但其中大多数通过搜索可以保留原始预测的最小子图来正式化这项任务。但是,在此框架中,感应偏置是深根的:几个子图可能会导致与原始图相同或相似的输出。因此,他们有提供虚假解释并且无法提供一致的解释的危险。应用它们来解释较弱的GNN将进一步扩大这些问题。为了解决这个问题,我们从理论上从因果关系角度研究了GNN的预测。确定了虚假解释的两个典型原因:潜在变量(例如分布变化)和与原始输入不同的因果因素的混杂作用。观察到混淆效应和各种因果原理都在内部表示中编码,我们提出了一种简单而有效的对策,通过对齐嵌入。具体而言,关于高维空间中的电势偏移,我们设计了一种基于锚的分布感知的比对算法。这个新目标易于计算,并且可以不用或很少的精力将其纳入现有技术。理论分析表明,实际上是在设计中优化了一个更忠实的解释目标,这进一步证明了拟议的方法。

Uncovering rationales behind predictions of graph neural networks (GNNs) has received increasing attention over recent years. Instance-level GNN explanation aims to discover critical input elements, like nodes or edges, that the target GNN relies upon for making predictions. Though various algorithms are proposed, most of them formalize this task by searching the minimal subgraph which can preserve original predictions. However, an inductive bias is deep-rooted in this framework: several subgraphs can result in the same or similar outputs as the original graphs. Consequently, they have the danger of providing spurious explanations and fail to provide consistent explanations. Applying them to explain weakly-performed GNNs would further amplify these issues. To address this problem, we theoretically examine the predictions of GNNs from the causality perspective. Two typical reasons of spurious explanations are identified: confounding effect of latent variables like distribution shift, and causal factors distinct from the original input. Observing that both confounding effects and diverse causal rationales are encoded in internal representations, we propose a simple yet effective countermeasure by aligning embeddings. Concretely, concerning potential shifts in the high-dimensional space, we design a distribution-aware alignment algorithm based on anchors. This new objective is easy to compute and can be incorporated into existing techniques with no or little effort. Theoretical analysis shows that it is in effect optimizing a more faithful explanation objective in design, which further justifies the proposed approach.

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