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Geometrically Aligned Transfer Encoder for Inductive Transfer in Regression Tasks
Transfer learning is a crucial technique for handling a small amount of data that is potentially related to other abundant data.
3D Denoisers are Good 2D Teachers: Molecular Pretraining via Denoising and Cross-Modal Distillation
Pretraining molecular representations from large unlabeled data is essential for molecular property prediction due to the high cost of obtaining ground-truth labels.
Grouping-matrix based Graph Pooling with Adaptive Number of Clusters
Conventional methods ask users to specify an appropriate number of clusters as a hyperparameter, then assume that all input graphs share the same number of clusters.
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