• Corpus ID: 247450503

Simple GNN Regularisation for 3D Molecular Property Prediction and Beyond

  title={Simple GNN Regularisation for 3D Molecular Property Prediction and Beyond},
  author={Jonathan Godwin and Michael Schaarschmidt and Alex Gaunt and Alvaro Sanchez-Gonzalez and Yulia Rubanova and Petar Velivckovi'c and James Kirkpatrick and Peter W. Battaglia},
  booktitle={International Conference on Learning Representations},
In this paper we show that simple noisy regularisation can be an effective way to address GNN oversmoothing. First we argue that regularisers addressing oversmoothing should both penalise node latent similarity and encourage meaningful node representations. From this observation we derive “Noisy Nodes”, a simple technique in which we corrupt the input graph with noise, and add a noise correcting node-level loss. The diverse node level loss encourages latent node diversity, and the denoising… 

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    2022 IEEE/CVF Conference on Computer Vision and Pattern Recognition (CVPR)
  • 2022
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