arXiv:2411.05742cs.LGcs.AI2024-11被引 21

用强化学习自动重构图数据特征空间,兼顾拓扑结构。

Topology-aware Reinforcement Feature Space Reconstruction for Graph Data

  • 基于拓扑感知强化学习,迭代生成有意义的特征。
  • 在多个图数据集上提升特征空间质量,性能优于基线方法。
  • 适合需要自动化特征工程的图学习研究者使用。

特征空间是将数据点向量化以表示原始数据集的环境。重建高质量特征空间对增强数据的AI能力、提升模型泛化性及下游机器学习模型的可用性至关重要。现有方法如特征变换与选择多依赖人工经验且主要针对表格数据,忽视了图数据中的独特拓扑结构,导致特征空间重建效果不佳。本文提出一种拓扑感知强化学习框架,自动优化图数据的特征空间重建。该方法结合核心子图提取以捕获关键结构信息,并利用图神经网络(GNN)编码拓扑特征并降低计算复杂度。通过层级结构中的三个强化学习代理,系统性地迭代生成有意义的特征,有效重构特征空间。大量实验验证了该方法在性能与效率上的优越性。

原文摘要 · Abstract (English)

Feature space is an environment where data points are vectorized to represent the original dataset. Reconstructing a good feature space is essential to augment the AI power of data, improve model generalization, and increase the availability of downstream ML models. Existing literature, such as feature transformation and feature selection, is labor-intensive (e.g., heavy reliance on empirical experience) and mostly designed for tabular data. Moreover, these methods regard data samples as independent, which ignores the unique topological structure when applied to graph data, thus resulting in a suboptimal reconstruction feature space. Can we consider the topological information to automatically reconstruct feature space for graph data without heavy experiential knowledge? To fill this gap, we leverage topology-aware reinforcement learning to automate and optimize feature space reconstruction for graph data. Our approach combines the extraction of core subgraphs to capture essential structural information with a graph neural network (GNN) to encode topological features and reduce computing complexity. Then we introduce three reinforcement agents within a hierarchical structure to systematically generate meaningful features through an iterative process, effectively reconstructing the feature space. This framework provides a principled solution for attributed graph feature space reconstruction. The extensive experiments demonstrate the effectiveness and efficiency of including topological awareness.

图神经网络特征空间强化学习拓扑结构

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