Moving towards reproducible machine learning

被引：10

作者：

不详

机构：

来源：

NATURE COMPUTATIONAL SCIENCE | 2021年 / 1卷 / 10期

关键词：

D O I：

10.1038/s43588-021-00152-6

中图分类号：

TP39 [计算机的应用];

学科分类号：

081203 ; 0835 ;

摘要：

We provide some recommendations on how to report machine learning-based research in order to improve transparency and reproducibility.

引用

页码：629 / 630

页数：2

共 10 条

[1] Best practices in machine learning for chemistry comment [J].

Artrith, Nongnuch ;

Butler, Keith T. ;

Coudert, Francois-Xavier ;

Han, Seungwu ;

Isayev, Olexandr ;

Jain, Anubhav ;

Walsh, Aron .

NATURE CHEMISTRY, 2021, 13 (06) :505-508

[2] Accurate prediction of protein structures and interactions using a three-track neural network [J].

Baek, Minkyung ;

DiMaio, Frank ;

Anishchenko, Ivan ;

Dauparas, Justas ;

Ovchinnikov, Sergey ;

Lee, Gyu Rie ;

Wang, Jue ;

Cong, Qian ;

Kinch, Lisa N. ;

Schaeffer, R. Dustin ;

Millan, Claudia ;

Park, Hahnbeom ;

Adams, Carson ;

Glassman, Caleb R. ;

DeGiovanni, Andy ;

Pereira, Jose H. ;

Rodrigues, Andria V. ;

van Dijk, Alberdina A. ;

Ebrecht, Ana C. ;

Opperman, Diederik J. ;

Sagmeister, Theo ;

Buhlheller, Christoph ;

Pavkov-Keller, Tea ;

Rathinaswamy, Manoj K. ;

Dalwadi, Udit ;

Yip, Calvin K. ;

Burke, John E. ;

Garcia, K. Christopher ;

Grishin, Nick V. ;

Adams, Paul D. ;

Read, Randy J. ;

Baker, David .

SCIENCE, 2021, 373 (6557) :871-+

[3] Reproducibility standards for machine learning in the life sciences [J].

Heil, Benjamin J. ;

Hoffman, Michael M. ;

Markowetz, Florian ;

Lee, Su-In ;

Greene, Casey S. ;

Hicks, Stephanie C. .

NATURE METHODS, 2021, 18 (10) :1132-1135

[4] Deep-neural-network solution of the electronic Schrodinger equation [J].

Hermann, Jan ;

Schaetzle, Zeno ;

Noe, Frank .

NATURE CHEMISTRY, 2020, 12 (10) :891-+

[5]

Hutson M, 2018, SCIENCE, V359, P725, DOI 10.1126/science.359.6377.725

[6] Highly accurate protein structure prediction with AlphaFold [J].

Jumper, John ;

Evans, Richard ;

Pritzel, Alexander ;

Green, Tim ;

Figurnov, Michael ;

Ronneberger, Olaf ;

Tunyasuvunakool, Kathryn ;

Bates, Russ ;

Zidek, Augustin ;

Potapenko, Anna ;

Bridgland, Alex ;

Meyer, Clemens ;

Kohl, Simon A. A. ;

Ballard, Andrew J. ;

Cowie, Andrew ;

Romera-Paredes, Bernardino ;

Nikolov, Stanislav ;

Jain, Rishub ;

Adler, Jonas ;

Back, Trevor ;

Petersen, Stig ;

Reiman, David ;

Clancy, Ellen ;

Zielinski, Michal ;

Steinegger, Martin ;

Pacholska, Michalina ;

Berghammer, Tamas ;

Bodenstein, Sebastian ;

Silver, David ;

Vinyals, Oriol ;

Senior, Andrew W. ;

Kavukcuoglu, Koray ;

Kohli, Pushmeet ;

Hassabis, Demis .

NATURE, 2021, 596 (7873) :583-+

[7] Improving the quality of machine learning in health applications and clinical research [J].

Mateen, Bilal A. ;

Liley, James ;

Denniston, Alastair K. ;

Holmes, Chris C. ;

Vollmer, Sebastian J. .

NATURE MACHINE INTELLIGENCE, 2020, 2 (10) :554-556

[8]

Norgeot B, 2021, NAT MACH INTELL, V3, P367

[9] Minimum information about clinical artificial intelligence modeling: the MI-CLAIM checklist [J].

Norgeot, Beau ;

Quer, Giorgio ;

Beaulieu-Jones, Brett K. ;

Torkamani, Ali ;

Dias, Raquel ;

Gianfrancesco, Milena ;

Arnaout, Rima ;

Kohane, Isaac S. ;

Saria, Suchi ;

Topol, Eric ;

Obermeyer, Ziad ;

Yu, Bin ;

Butte, Atul J. .

NATURE MEDICINE, 2020, 26 (09) :1320-1324

[10] Data-driven prediction of battery cycle life before capacity degradation [J].

Severson, Kristen A. ;

Attia, Peter M. ;

Jin, Norman ;

Perkins, Nicholas ;

Jiang, Benben ;

Yang, Zi ;

Chen, Michael H. ;

Aykol, Muratahan ;

Herring, Patrick K. ;

Fraggedakis, Dimitrios ;

Bazan, Martin Z. ;

Harris, Stephen J. ;

Chueh, William C. ;

Braatz, Richard D. .

NATURE ENERGY, 2019, 4 (05) :383-391

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