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Artificial Intelligence and Machine Learning for Quantum Technologies


Aug 07, 2022
Mario Krenn, Jonas Landgraf, Thomas Foesel, Florian Marquardt

* 23 pages, 8 figures; comments welcome! 

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On scientific understanding with artificial intelligence


Apr 04, 2022
Mario Krenn, Robert Pollice, Si Yue Guo, Matteo Aldeghi, Alba Cervera-Lierta, Pascal Friederich, Gabriel dos Passos Gomes, Florian Häse, Adrian Jinich, AkshatKumar Nigam, Zhenpeng Yao, Alán Aspuru-Guzik

* 13 pages, 3 figures, comments welcome! 

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SELFIES and the future of molecular string representations


Mar 31, 2022
Mario Krenn, Qianxiang Ai, Senja Barthel, Nessa Carson, Angelo Frei, Nathan C. Frey, Pascal Friederich, Théophile Gaudin, Alberto Alexander Gayle, Kevin Maik Jablonka, Rafael F. Lameiro, Dominik Lemm, Alston Lo, Seyed Mohamad Moosavi, José Manuel Nápoles-Duarte, AkshatKumar Nigam, Robert Pollice, Kohulan Rajan, Ulrich Schatzschneider, Philippe Schwaller, Marta Skreta, Berend Smit, Felix Strieth-Kalthoff, Chong Sun, Gary Tom, Guido Falk von Rudorff, Andrew Wang, Andrew White, Adamo Young, Rose Yu, Alán Aspuru-Guzik

* 34 pages, 15 figures, comments and suggestions for additional references are welcome! 

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Design of quantum optical experiments with logic artificial intelligence


Sep 27, 2021
Alba Cervera-Lierta, Mario Krenn, Alán Aspuru-Guzik

* 10 pages + supplementary, 5 figures 

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Learning Interpretable Representations of Entanglement in Quantum Optics Experiments using Deep Generative Models


Sep 06, 2021
Daniel Flam-Shepherd, Tony Wu, Xuemei Gu, Alba Cervera-Lierta, Mario Krenn, Alan Aspuru-Guzik


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Curiosity in exploring chemical space: Intrinsic rewards for deep molecular reinforcement learning


Dec 17, 2020
Luca A. Thiede, Mario Krenn, AkshatKumar Nigam, Alan Aspuru-Guzik

* 9 pages, 2 figures; comments welcome 

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Deep Molecular Dreaming: Inverse machine learning for de-novo molecular design and interpretability with surjective representations


Dec 17, 2020
Cynthia Shen, Mario Krenn, Sagi Eppel, Alan Aspuru-Guzik

* 9 pages, 6 figures; comments welcome 

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Scientific intuition inspired by machine learning generated hypotheses


Oct 27, 2020
Pascal Friederich, Mario Krenn, Isaac Tamblyn, Alan Aspuru-Guzik


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Computer-inspired Quantum Experiments


Feb 23, 2020
Mario Krenn, Manuel Erhard, Anton Zeilinger

* Comments and suggestions for additional references are welcome! 

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Quantum Optical Experiments Modeled by Long Short-Term Memory


Oct 30, 2019
Thomas Adler, Manuel Erhard, Mario Krenn, Johannes Brandstetter, Johannes Kofler, Sepp Hochreiter

* 9 pages 

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