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extrapolation-validation-(ev):-a-common-validation-means-for-mitigating-gadget-studying-extrapolation-chance

Extrapolation Validation (EV): A Common Validation Means for Mitigating Gadget Studying Extrapolation Chance

Digital Discovery, 2024, Accepted ManuscriptDOI: 10.1039/D3DD00256J, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Mengxian Yu, Yin-Ning Zhou, Qiang Wang, Fangyou YanMachine Learning (ML) can provide decision-making advice for major challenges in science and engineering, and its

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insights-into-device-finding-out-fashions-from-chemical-physics:-an-power-landscapes-way-(el-for-ml)

Insights into device finding out fashions from chemical physics: an power landscapes way (EL for ML)

Digital Discovery, 2024, 3,637-648DOI: 10.1039/D3DD00204G, Tutorial Review Open Access &nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Maximilian P. Niroomand, Luke Dicks, Edward O. Pyzer-Knapp, David J. WalesIn this work, we outline how methods from the energy landscapes field of theoretical

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predictive-gadget-finding-out-fashions-skilled-on-experimental-datasets-for-electrochemical-nitrogen-aid

Predictive gadget finding out fashions skilled on experimental datasets for electrochemical nitrogen aid

Digital Discovery, 2024, 3,667-673DOI: 10.1039/D3DD00151B, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Darik A. Rosser, Brianna R. Farris, Kevin C. LeonardObtaining useful insights from machine learning models trained on experimental datasets collected across different groups to improve

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bayesian-optimisation-for-additive-screening-and-yield-enhancements-–-past-one-hot-encoding

Bayesian optimisation for additive screening and yield enhancements – past one-hot encoding

Digital Discovery, 2024, 3,654-666DOI: 10.1039/D3DD00096F, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Bojana Ranković, Ryan-Rhys Griffiths, Henry B. Moss, Philippe SchwallerCost-effective Bayesian optimisation screening of 720 additives on four complex reactions, achieving substantial yield improvements over baselines

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japan’s-electrical-car-transition-by-means-of-2035-could-also-be-inadequate-to-battle-the-local-weather-disaster,-however-there-are-answers

Japan’s electrical car transition by means of 2035 could also be inadequate to battle the local weather disaster, however there are answers

Researchers report that Japan's policy of banning the sale of new gas vehicles by 2035 may be insufficient to reduce the country's CO2 emissions. The team's analysis showed that to effectively reach their climate goals, Japan must also implement policies that extend vehicle lifetime, implement

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