Search Results for author: Luca Torresi

Found 3 papers, 1 papers with code

MEGAN: Multi-Explanation Graph Attention Network

1 code implementation23 Nov 2022 Jonas Teufel, Luca Torresi, Patrick Reiser, Pascal Friederich

Unlike existing graph explainability methods, our network can produce node and edge attributional explanations along multiple channels, the number of which is independent of task specifications.

Explainable artificial intelligence Graph Attention +2

Graph neural networks for materials science and chemistry

no code implementations5 Aug 2022 Patrick Reiser, Marlen Neubert, André Eberhard, Luca Torresi, Chen Zhou, Chen Shao, Houssam Metni, Clint van Hoesel, Henrik Schopmans, Timo Sommer, Pascal Friederich

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 new materials, and to predict synthesis routes of new materials.

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