Wei, Y.* ; Peng, B.* ; Xie, R.* ; Chen, Y. ; Qin, Y.* ; Wen, P.Y.* ; Bauer, S. ; Tung, P.Y.* ; Raabe, D.*
Deep active optimization for complex systems.
Nat. Comput. Sci. 5, 801–812 (2025)
Inferring optimal solutions from limited data is considered the ultimate goal in scientific discovery. Artificial intelligence offers a promising avenue to greatly accelerate this process. Existing methods often depend on large datasets, strong assumptions about objective functions, and classic machine learning techniques, restricting their effectiveness to low-dimensional or data-rich problems. Here we introduce an optimization pipeline that can effectively tackle complex, high-dimensional problems with limited data. This approach utilizes a deep neural surrogate to iteratively find optimal solutions and introduces additional mechanisms to avoid local optima, thereby minimizing the required samples. Our method finds superior solutions in problems with up to 2,000 dimensions, whereas existing approaches are confined to 100 dimensions and need considerably more data. It excels across varied real-world systems, outperforming current algorithms and enabling efficient knowledge discovery. Although focused on scientific problems, its benefits extend to numerous quantitative fields, paving the way for advanced self-driving laboratories.
Impact Factor
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Times Cited
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Publikationstyp
Artikel: Journalartikel
Dokumenttyp
Wissenschaftlicher Artikel
Typ der Hochschulschrift
Herausgeber
Schlagwörter
Design; Loop; Go
Keywords plus
Sprache
englisch
Veröffentlichungsjahr
2025
Prepublished im Jahr
0
HGF-Berichtsjahr
2025
ISSN (print) / ISBN
2662-8457
e-ISSN
2662-8457
ISBN
Bandtitel
Konferenztitel
Konferzenzdatum
Konferenzort
Konferenzband
Quellenangaben
Band: 5,
Heft: ,
Seiten: 801–812
Artikelnummer: ,
Supplement: ,
Reihe
Verlag
Springer
Verlagsort
Campus, 4 Crinan St, London, N1 9xw, England
Tag d. mündl. Prüfung
0000-00-00
Betreuer
Gutachter
Prüfer
Topic
Hochschule
Hochschulort
Fakultät
Veröffentlichungsdatum
0000-00-00
Anmeldedatum
0000-00-00
Anmelder/Inhaber
weitere Inhaber
Anmeldeland
Priorität
Begutachtungsstatus
Peer reviewed
POF Topic(s)
30205 - Bioengineering and Digital Health
Forschungsfeld(er)
Enabling and Novel Technologies
PSP-Element(e)
G-530003-001
Förderungen
Gemeinsame Wissenschafts Konferenz
Federal Ministry of Education and Research
Beijing Natural Science Foundation
CityUHK start-up fund
National Natural Science Foundation of China
Tsinghua-Toyota Joint Research Fund
City Universtiy of Hong Kong (9382006)
Copyright
Erfassungsdatum
2025-11-18