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Simon León Krug, Danish Khan, O. Anatole von Lilienfeld
Alchemical harmonic approximation based potential for all iso-electronic diatomics: Foundational baseline for Δ-machine learning
Matteo Valleriani, Maryam Zamani, Hassan El-Hajj
La dinamica di diffusione del sapere astronomico e l’agenda di ricerca come contesto della pubblicazione del De revolutionibus di Copernico (1543)
Sebastian Schelter, Shubha Guha, Stefan Grafberger
Automated Provenance-Based Screening of ML Data Preparation Pipelines
Rudi Poepsel-Lemaitre, Kaustubh Beedkar, Volker Markl
Disclosure-compliant Query Answering
Danish Khan, O. Anatole von Lilienfeld
Generalized convolutional many body distribution functional representations
Kristoffer Wickstrøm, Marina M.-C.Höhne, Anna Hedström
From Flexibility to Manipulation: The Slippery Slope of XAI Evaluation
Igor Poltavsky, Anton Charkin-Gorbulin, Mirela Puleva, Gregory Cordeiro Fonseca, Ilyes Batatia , Nicholas J. Browning, Stefan Chmiela, Mengnan Cui, J. Thorben Frank, Stefan Heinen et al.
Crash Testing Machine Learning Force Fields for Molecules, Materials, and Interfaces: Model Analysis in the TEA Challenge 2023
Igor Poltavsky, Mirela Puleva, Anton Charkin-Gorbulin, Gregory Cordeiro Fonseca, Ilyes Batatia, Nicholas J. Browning, Stefan Chmiela, Mengnan Cui, J. Thorben Frank, Stefan Heinen et al.
Crash Testing Machine Learning Force Fields for Molecules, Materials, and Interfaces: Molecular Dynamics in the TEA Challenge 2023
Maximilian Andreas Hoefler, Karsten Mueller, Wojciech Samek
XAI-guided Insulator Anomaly Detection for Imbalanced Datasets
Philipp Jurmeister, Maximilian Leitheiser, Alexander Arnold, Emma Payá Capilla, Liliana H Mochmann, Yauheniya Zhdanovic, Konstanze Schleich, Nina Jung, Edgar Calderon Chimal, Andreas Jung et al.