通过分析特征图结构,发现关键交互边能提升GNN性能。
From Features to Graphs: Exploring Graph Structures and Pairwise Interactions via GNNs
- 用GNN探索特征间配对交互,构建有效特征图
- 仅保留交互边的稀疏图比完整图表现更好
- 理论证明稀疏图更高效可解释,适合模型设计
特征交互在预测机器学习模型中至关重要,它捕捉影响模型性能的特征间关系。本文聚焦于配对交互,研究其在构建图神经网络(GNN)特征图中的作用。我们利用现有GNN模型与工具,探索特征图结构与其建模交互能力之间的关系。在合成数据集上的实验表明,存在交互的特征之间建立边有助于GNN有效建模特征交互;而包含非交互边会引入噪声,降低模型性能。此外,我们基于最小描述长度(MDL)原则提供理论支持,证明仅保留必要交互边的稀疏特征图,相比完全图具有更高效率和可解释性,符合奥卡姆剃刀原则。研究成果为提升GNN性能与可解释性提供了理论依据与实践指导。
原文摘要 · Abstract (English)
Feature interaction is crucial in predictive machine learning models, as it captures the relationships between features that influence model performance. In this work, we focus on pairwise interactions and investigate their importance in constructing feature graphs for Graph Neural Networks (GNNs). We leverage existing GNN models and tools to explore the relationship between feature graph structures and their effectiveness in modeling interactions. Through experiments on synthesized datasets, we uncover that edges between interacting features are important for enabling GNNs to model feature interactions effectively. We also observe that including non-interaction edges can act as noise, degrading model performance. Furthermore, we provide theoretical support for sparse feature graph selection using the Minimum Description Length (MDL) principle. We prove that feature graphs retaining only necessary interaction edges yield a more efficient and interpretable representation than complete graphs, aligning with Occam's Razor. Our findings offer both theoretical insights and practical guidelines for designing feature graphs that improve the performance and interpretability of GNN models.
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