Graph neural networks for materials science and chemistry. - Patrick Reiser; Marlen Neubert; André Eberhard; Luca Torresi; Chen Zhou; Chen Shao; Houssam Metni; Clint van Hoesel; Henrik Schopmans; Timo Sommer; Pascal Friederich (CoRR, 2022)

Quantifying the Intrinsic Usefulness of Attributional Explanations for Graph Neural Networks with Artificial Simulatability Studies. - Jonas Teufel; Luca Torresi; Pascal Friederich (xAI (2), 2023)

MEGAN: Multi-explanation Graph Attention Network. - Jonas Teufel; Luca Torresi; Patrick Reiser; Pascal Friederich (xAI (2), 2023)

Symmetry-Aware Bayesian Flow Networks for Crystal Generation. - Laura Ruple; Luca Torresi; Henrik Schopmans; Pascal Friederich (CoRR, 2025)