34 citations · 78 across the 10 of their papers we have counts for
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cs.LG2022★ 7 cited
MEGAN: Multi-Explanation Graph Attention Network
Jonas Teufel, Luca Torresi, Patrick Reiser +1
We propose a multi-explanation graph attention network (MEGAN). Unlike existing graph explainability methods, our network can produce node and edge attributional explanations along…
physics.chem-ph2022★ 34 cited
Graph neural networks for materials science and chemistry
Patrick Reiser, Marlen Neubert, André Eberhard +8
Machine learning plays an increasingly important role in many areas of chemistry and materials science, e.g. to predict materials properties, to accelerate simulations, to design n…