Papers › TUDataset: A collection of benchmark datasets for learning with graphs

TUDataset: A collection of benchmark datasets for learning with graphs

16 Jul 2020arXiv:2007.08663archive 2025-07-28

Christopher Morris, Nils M. Kriege, Franka Bause, Kristian Kersting, Petra Mutzel, Marion Neumann

Recently, there has been an increasing interest in (supervised) learning with graph data, especially using graph neural networks. However, the development of meaningful benchmark datasets and standardized evaluation procedures is lagging, consequently hindering advancements in this area. To address this, we introduce the TUDataset for graph classification and regression. The collection consists of over 120 datasets of varying sizes from a wide range of applications. We provide Python-based data loaders, kernel and graph neural network baseline implementations, and evaluation tools. Here, we give an overview of the datasets, standardized evaluation procedures, and provide baseline experiments. All datasets are available at www.graphlearning.io. The experiments are fully reproducible from the code available at www.github.com/chrsmrrs/tudataset.

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chrsmrrs/tudataset officialmentioned in paperpytorch report
simonschoelly/GraphDatasets.jl mentioned on GitHubMIT report

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Tasks

Graph ClassificationGraph Neural Networkregression

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Graph dataset MCF-7Graph dataset MOLT-4NCI109

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Graph Neural Network

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