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Jonas Lederer

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Technische Universität Berlin
Machine Learning

Marchstraße 23, 10587 Berlin
https://www.tu.berlin/en/ml

Jonas Lederer BIFOLD researcher
© Lederer

Jonas Lederer

Doctoral Researcher

  • Quantum Chemistry
  • Materials Science
  • Physics
  • Machine Learning

Jonas Lederer

Structural interpretability for deep learning in quantum chemistry

March 18, 2025
https://doi.org/10.14279/depositonce-22959

Thomas Schnake, Farnoush Rezaei Jafaria, Jonas Lederer, Ping Xiong, Shinichi Nakajima, Stefan Gugler, Grégoire Montavon, Klaus-Robert Müller

Towards Symbolic XAI -- Explanation Through Human Understandable Logical Relationships Between Features

January 20, 2025
https://doi.org/10.1016/j.inffus.2024.102923

Malte Esders, Thomas Schnake, Jonas Lederer, Adil Kabylda, Grégoire Montavon, Alexandre Tkatchenko, Klaus-Robert Müller

Analyzing Atomic Interactions in Molecules as Learned by Neural Networks

October 17, 2024
https://doi.org/10.48550/arXiv.2410.13833

Klara Bonneau, Jonas Lederer, Clark Templeton, David Rosenberger, Klaus-Robert Müller, Cecilia Clementi

Peering inside the black box: Learning the relevance of many-body functions in Neural Network potentials

July 05, 2024
https://arxiv.org/abs/2407.04526

Kristof T. Schütt, Stefaan S.P. Hessmann, Niklas W.A. Gebauer, Jonas Lederer, Michael Gastegger

SchNetPack 2.0: A neural network toolbox for atomistic machine learning

April 12, 2023
https://doi.org/10.1063/5.0138367