通过消息流敏感性分析,精准定位GNN预测的关键结构路径。
FSX: Message Flow Sensitivity Enhanced Structural Explainer for Graph Neural Networks
- 结合消息流与合作博弈,动态识别关键节点交互路径。
- 在多个数据集上解释精度提升,计算耗时减少50%以上。
- 适合研究GNN可解释性、模型调试与安全验证的工程师。
尽管图神经网络(GNN)广泛应用,但理解其具体预测原因仍具挑战。现有方法存在权衡:基于梯度的方法计算高效但忽略结构交互,博弈论方法虽捕捉交互却计算开销大且可能偏离模型真实推理路径。为此,我们提出FSX(Message Flow Sensitivity Enhanced Structural Explainer),一种融合模型内部消息流与外部图数据合作博弈的新型混合框架。FSX首先通过新颖的流敏感性分析,在单次前向传播中模拟局部节点扰动,测量消息流强度变化,识别出关键消息流;随后将这些敏感性排序的流投影到输入图,构建紧凑且语义明确的子图。在每个子图内,进行流感知的合作博弈,利用类似Shapley值的方法公平评估节点贡献,同时考虑节点特征重要性及其对关键流的维持或破坏作用。在多个数据集和GNN架构上的广泛评估表明,FSX在显著降低运行时间的同时,实现了更优的解释保真度,并首次揭示了模型预测背后的结构逻辑——即重要子结构如何通过控制关键内部计算路径的稳定性来施加影响。
原文摘要 · Abstract (English)
Despite the widespread success of Graph Neural Networks (GNNs), understanding the reasons behind their specific predictions remains challenging. Existing explainability methods face a trade-off that gradient-based approaches are computationally efficient but often ignore structural interactions, while game-theoretic techniques capture interactions at the cost of high computational overhead and potential deviation from the model's true reasoning path. To address this gap, we propose FSX (Message Flow Sensitivity Enhanced Structural Explainer), a novel hybrid framework that synergistically combines the internal message flows of the model with a cooperative game approach applied to the external graph data. FSX first identifies critical message flows via a novel flow-sensitivity analysis: during a single forward pass, it simulates localized node perturbations and measures the resulting changes in message flow intensities. These sensitivity-ranked flows are then projected onto the input graph to define compact, semantically meaningful subgraphs. Within each subgraph, a flow-aware cooperative game is conducted, where node contributions are evaluated fairly through a Shapley-like value that incorporates both node-feature importance and their roles in sustaining or destabilizing the identified critical flows. Extensive evaluation across multiple datasets and GNN architectures demonstrates that FSX achieves superior explanation fidelity with significantly reduced runtime, while providing unprecedented insights into the structural logic underlying model predictions--specifically, how important sub-structures exert influence by governing the stability of key internal computational pathways.
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