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The MLIP package: moment tensor potentials with MPI and active learning
Novikov, Ivan S, Gubaev, Konstantin, Podryabinkin, Evgeny V, Shapeev, Alexander V
Published in Machine learning: science and technology (01.06.2021)
Published in Machine learning: science and technology (01.06.2021)
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Journal Article
Data-driven discovery of Koopman eigenfunctions for control
Kaiser, Eurika, Kutz, J Nathan, Brunton, Steven L
Published in Machine learning: science and technology (01.09.2021)
Published in Machine learning: science and technology (01.09.2021)
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Journal Article
Prediction of chemical reaction yields using deep learning
Schwaller, Philippe, Vaucher, Alain C, Laino, Teodoro, Reymond, Jean-Louis
Published in Machine learning: science and technology (01.03.2021)
Published in Machine learning: science and technology (01.03.2021)
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Journal Article
Chemformer: a pre-trained transformer for computational chemistry
Irwin, Ross, Dimitriadis, Spyridon, He, Jiazhen, Bjerrum, Esben Jannik
Published in Machine learning: science and technology (01.03.2022)
Published in Machine learning: science and technology (01.03.2022)
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Journal Article
Graph networks for molecular design
Mercado, Rocío, Rastemo, Tobias, Lindelöf, Edvard, Klambauer, Günter, Engkvist, Ola, Chen, Hongming, Jannik Bjerrum, Esben
Published in Machine learning: science and technology (01.06.2021)
Published in Machine learning: science and technology (01.06.2021)
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Journal Article
Quantum machine learning for image classification
Senokosov, Arsenii, Sedykh, Alexandr, Sagingalieva, Asel, Kyriacou, Basil, Melnikov, Alexey
Published in Machine learning: science and technology (01.03.2024)
Published in Machine learning: science and technology (01.03.2024)
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Journal Article
Enhancing gravitational-wave science with machine learning
Cuoco, Elena, Powell, Jade, Cavaglià, Marco, Ackley, Kendall, Bejger, Micha, Chatterjee, Chayan, Coughlin, Michael, Coughlin, Scott, Easter, Paul, Essick, Reed, Gabbard, Hunter, Gebhard, Timothy, Ghosh, Shaon, Haegel, Leïla, Iess, Alberto, Keitel, David, Márka, Zsuzsa, Márka, Szabolcs, Morawski, Filip, Nguyen, Tri, Ormiston, Rich, Pürrer, Michael, Razzano, Massimiliano, Staats, Kai, Vajente, Gabriele, Williams, Daniel
Published in Machine learning: science and technology (01.03.2021)
Published in Machine learning: science and technology (01.03.2021)
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Journal Article
On the role of gradients for machine learning of molecular energies and forces
Christensen, Anders S, von Lilienfeld, O Anatole
Published in Machine learning: science and technology (01.12.2020)
Published in Machine learning: science and technology (01.12.2020)
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Journal Article
Variational quantum reinforcement learning via evolutionary optimization
Chen, Samuel Yen-Chi, Huang, Chih-Min, Hsing, Chia-Wei, Goan, Hsi-Sheng, Kao, Ying-Jer
Published in Machine learning: science and technology (01.03.2022)
Published in Machine learning: science and technology (01.03.2022)
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Journal Article
Fast convolutional neural networks on FPGAs with hls4ml
Aarrestad, Thea, Loncar, Vladimir, Ghielmetti, Nicolò, Pierini, Maurizio, Summers, Sioni, Ngadiuba, Jennifer, Petersson, Christoffer, Linander, Hampus, Iiyama, Yutaro, Di Guglielmo, Giuseppe, Duarte, Javier, Harris, Philip, Rankin, Dylan, Jindariani, Sergo, Pedro, Kevin, Tran, Nhan, Liu, Mia, Kreinar, Edward, Wu, Zhenbin, Hoang, Duc
Published in Machine learning: science and technology (01.12.2021)
Published in Machine learning: science and technology (01.12.2021)
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Journal Article
Deeptime: a Python library for machine learning dynamical models from time series data
Hoffmann, Moritz, Scherer, Martin, Hempel, Tim, Mardt, Andreas, de Silva, Brian, Husic, Brooke E, Klus, Stefan, Wu, Hao, Kutz, Nathan, Brunton, Steven L, Noé, Frank
Published in Machine learning: science and technology (01.03.2022)
Published in Machine learning: science and technology (01.03.2022)
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Journal Article
Neural predictor based quantum architecture search
Zhang, Shi-Xin, Hsieh, Chang-Yu, Zhang, Shengyu, Yao, Hong
Published in Machine learning: science and technology (01.12.2021)
Published in Machine learning: science and technology (01.12.2021)
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Journal Article
An end-to-end trainable hybrid classical-quantum classifier
Chen, Samuel Yen-Chi, Huang, Chih-Min, Hsing, Chia-Wei, Kao, Ying-Jer
Published in Machine learning: science and technology (01.12.2021)
Published in Machine learning: science and technology (01.12.2021)
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Journal Article
Rediscovering orbital mechanics with machine learning
Lemos, Pablo, Jeffrey, Niall, Cranmer, Miles, Ho, Shirley, Battaglia, Peter
Published in Machine learning: science and technology (01.12.2023)
Published in Machine learning: science and technology (01.12.2023)
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Journal Article