Cited by 446Machine Learning in Materials ScienceComputational Drug Discovery MethodsArtificial Intelligence Applications

Emerging materials intelligence ecosystems propelled by machine learning

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Batra, Rohit, Song, Le, Ramprasad, Rampi·2020·Nature Reviews Materials

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Crossref · 10.1038/s41578-020-00255-y

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  • ML models purely built on data are often agnostic of the underlying physical processes, which leads to inability to produce physically consistent results with limited available training data.

    “ML models purely built on data are often agnostic of the underlying physical processes (e.g., the process-structure-property-performance relationships), which leads to inability to produce physically consistent results with limited available training data 133,134 .”
  • NLP offers the opportunity to extract materials data from millions of documents in an automated and more efficient manner compared with manual collection, and thus establish large datasets that can leverage ML techniques.

    “This offers the opportunity for NLP to extract materials data from millions of documents in an automated and more efficient manner, compared with the manual collection, and thus establish large datasets that can leverage the power of ML techniques 134 .”

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Research works printed but not linked: 12

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  12. Zaheer, M. et al. Deep sets. In Advances in neural information processing systems, 3391-3401 (2017). 253. Schütt, K. et al. Schnet: A continuous-filter convolutional neural network for modeling quantum interactions. In Advances in Neural Information Processing Systems, 991-1001 (2017). 254. Zhang, L. et al. End-to-end symmetry preserving inter-atomic potential energy model for finite and extended systems. In Advances in Neural Information Processing Systems, 4436-4446 (2018). 255.

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Authors
Batra, R., Song, L., & Ramprasad, R.
Affiliations
  • Argonne National Laboratory (US)
  • Georgia Institute of Technology (US)
Corresponding author
Ramprasad, Rampi
Venue
Nature Reviews Materials
Published
2020-11-09
Volume
6
Issue
8
Pages
655-678
ISSN
2058-8437 (ISSN-L)
OpenAlex
W3100445615
Cited by
446
References
237
Citations by year
2026: 109 · 2025: 99 · 2024: 81 · 2023: 56 · 2022: 60 · 2021: 39 · 2020: 2
FWCI
2.01
Type
journal article
Language
en
Open access
Locations
  • Nature Reviews Materials (publishedVersion)
  • OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information) (submittedVersion)
Funders
  • National Science Foundation
  • U.S. Department of Energy
  • Toyota Research Institute
  • Office of Naval Research
Topics
  • Physical Sciences › Materials Science › Materials Chemistry › Machine Learning in Materials Science
  • Physical Sciences › Computer Science › Computational Theory and Mathematics › Computational Drug Discovery Methods
  • Physical Sciences › Computer Science › Artificial Intelligence › Artificial Intelligence Applications
Keywords
machine learning, human-machine collaboration, materials discovery, materials development, materials informatics

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