Nonparametric Teaching for Graph Property Learners

Chen Zhang, Weixin Bu, Zeyi Ren, Zhengwu Liu, Yik Chung Wu, Ngai Wong
Proceedings of the 42nd International Conference on Machine Learning, PMLR 267:74515-74539, 2025.

Abstract

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 Nonparametric 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.

Cite this Paper

BibTeX
@InProceedings{pmlr-v267-zhang25d, title = {Nonparametric Teaching for Graph Property Learners}, author = {Zhang, Chen and Bu, Weixin and Ren, Zeyi and Liu, Zhengwu and Wu, Yik Chung and Wong, Ngai}, booktitle = {Proceedings of the 42nd International Conference on Machine Learning}, pages = {74515--74539}, year = {2025}, editor = {Singh, Aarti and Fazel, Maryam and Hsu, Daniel and Lacoste-Julien, Simon and Berkenkamp, Felix and Maharaj, Tegan and Wagstaff, Kiri and Zhu, Jerry}, volume = {267}, series = {Proceedings of Machine Learning Research}, month = {13--19 Jul}, publisher = {PMLR}, pdf = {https://raw.githubusercontent.com/mlresearch/v267/main/assets/zhang25d/zhang25d.pdf}, url = {https://proceedings.mlr.press/v267/zhang25d.html}, abstract = {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 Nonparametric 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.} }
Endnote
%0 Conference Paper %T Nonparametric Teaching for Graph Property Learners %A Chen Zhang %A Weixin Bu %A Zeyi Ren %A Zhengwu Liu %A Yik Chung Wu %A Ngai Wong %B Proceedings of the 42nd International Conference on Machine Learning %C Proceedings of Machine Learning Research %D 2025 %E Aarti Singh %E Maryam Fazel %E Daniel Hsu %E Simon Lacoste-Julien %E Felix Berkenkamp %E Tegan Maharaj %E Kiri Wagstaff %E Jerry Zhu %F pmlr-v267-zhang25d %I PMLR %P 74515--74539 %U https://proceedings.mlr.press/v267/zhang25d.html %V 267 %X 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 Nonparametric 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.
APA
Zhang, C., Bu, W., Ren, Z., Liu, Z., Wu, Y.C. & Wong, N.. (2025). Nonparametric Teaching for Graph Property Learners. Proceedings of the 42nd International Conference on Machine Learning, in Proceedings of Machine Learning Research 267:74515-74539 Available from https://proceedings.mlr.press/v267/zhang25d.html.

Related Material