通过精选图数据提升图神经网络训练效率,大幅缩短学习时间。
Nonparametric Teaching for Graph Property Learners
- 用非参数教学法筛选关键图-属性样本,加速模型训练。
- 在图回归与分类任务中,训练时间减少30%以上,性能不变。
- 适合需要高效训练图神经网络的研究者与工程师。
图结构数据的属性推断(如分子溶解度)本质上是学习从图到属性的隐式映射。此类学习对图卷积网络(GCNs)等模型成本较高。为此,我们提出图神经教学(GraNT)新范式,从非参数教学视角重构学习过程。该方法通过选择性提供密集的图-属性对,使教师选取子集以促进GCN更快收敛。通过分析图结构对参数梯度下降的影响,并将GCN演化重构成非参数教学中的函数梯度下降,首次证明教学图属性学习器(即GCNs)与教学结构感知的非参数学习器一致。实验表明,该方法显著提升学习效率:图级回归训练时间减少36.62%,图级分类减少38.19%,节点级回归减少30.97%,节点级分类减少47.30%,且保持泛化性能。
原文摘要 · Abstract (English)
Inferring properties of graph-structured data, e.g., the solubility of molecules, essentially involves learning the implicit mapping from graphs to their properties. This learning process is often costly for graph property learners like Graph Convolutional Networks (GCNs). To address this, we propose a paradigm called Graph Neural Teaching (GraNT) that reinterprets the learning process through a novel nonparametric teaching perspective. Specifically, the latter offers a theoretical framework for teaching implicitly defined (i.e., nonparametric) mappings via example selection. Such an implicit mapping is realized by a dense set of graph-property pairs, with the GraNT teacher selecting a subset of them to promote faster convergence in GCN training. By analytically examining the impact of graph structure on parameter-based gradient descent during training, and recasting the evolution of GCNs--shaped by parameter updates--through functional gradient descent in nonparametric teaching, we show for the first time that teaching graph property learners (i.e., GCNs) is consistent with teaching structure-aware nonparametric learners. These new findings readily commit GraNT to enhancing learning efficiency of the graph property learner, showing significant reductions in training time for graph-level regression (-36.62%), graph-level classification (-38.19%), node-level regression (-30.97%) and node-level classification (-47.30%), all while maintaining its generalization performance.
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