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10/07/2022
ProGReST: Prototypical Graph Regression Soft Trees for Molecular Property Prediction
In this work, we propose the novel Prototypical Graph Regression Self-ex...
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10/12/2021
Relative Molecule Self-Attention Transformer
Self-supervised learning holds promise to revolutionize molecule propert...
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07/28/2021
SONG: Self-Organizing Neural Graphs
Recent years have seen a surge in research on deep interpretable neural ...
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11/23/2020
Comparison of Atom Representations in Graph Neural Networks for Molecular Property Prediction
Graph neural networks have recently become a standard method for analysi...
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10/26/2020
Processing of incomplete images by (graph) convolutional neural networks
We investigate the problem of training neural networks from incomplete i...
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02/19/2020
Molecule Attention Transformer
Designing a single neural network architecture that performs competitive...
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09/11/2019