提出多层强化搜索解释器,精准定位图嵌入+表格特征融合模型的预测关键因素。
MBExplainer: Multilevel bandit-based explanations for downstream models with augmented graph embeddings
- 采用博弈论分配三类贡献值:子图、节点特征、下游特征
- 通过三层蒙特卡洛树搜索并行剪枝,高效定位关键成分
- 适用于工业场景中图神经网络与表格数据融合的可解释性需求
在众多工业应用中,图神经网络生成的图嵌入常与原始节点或边的表格特征共同输入下游机器学习模型。当这些表格特征自然存在时(如以表格式存储的节点属性),需解释此类融合模型的预测结果。本文提出MBExplainer,一种针对此类融合模型的模型无关解释方法。该方法输出人类可读的三元组解释:重要性最高的子图、最重要的节点特征、最重要的下游增强特征。基于博弈论框架,为三类成分分别定义对应的沙普利值以衡量其贡献及相互作用。解释过程需在各组件的局部搜索空间中高效搜索。MBExplainer引入新颖的多层级搜索算法,通过三个交织的蒙特卡洛树搜索实现计算可行的并行剪枝。同时设计全局上下文相关多臂赌博机算法,智能分配剪枝预算至不同搜索空间。在多个公开图数据集上,对节点分类和图分类任务进行了全面数值实验,验证了方法的有效性。
原文摘要 · Abstract (English)
In many industrial applications, it is common that the graph embeddings generated from training GNNs are used in an ensemble model where the embeddings are combined with other tabular features (e.g., original node or edge features) in a downstream ML task. The tabular features may even arise naturally if, e.g., one tries to build a graph such that some of the node or edge features are stored in a tabular format. Here we address the problem of explaining the output of such ensemble models for which the input features consist of learned neural graph embeddings combined with additional tabular features. We propose MBExplainer, a model-agnostic explanation approach for downstream models with augmented graph embeddings. MBExplainer returns a human-legible triple as an explanation for an instance prediction of the whole pipeline consisting of three components: a subgraph with the highest importance, the topmost important nodal features, and the topmost important augmented downstream features. A game-theoretic formulation is used to take the contributions of each component and their interactions into account by assigning three Shapley values corresponding to their own specific games. Finding the explanation requires an efficient search through the corresponding local search spaces corresponding to each component. MBExplainer applies a novel multilevel search algorithm that enables simultaneous pruning of local search spaces in a computationally tractable way. In particular, three interweaved Monte Carlo Tree Search are utilized to iteratively prune the local search spaces. MBExplainer also includes a global search algorithm that uses contextual bandits to efficiently allocate pruning budget among the local search spaces. We show the effectiveness of MBExplainer by presenting a set of comprehensive numerical examples on multiple public graph datasets for both node and graph classification tasks.
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