Active learning enables generation of molecules that advance the known Pareto front.
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| Title: | Active learning enables generation of molecules that advance the known Pareto front. |
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| Authors: | Antoniuk, Evan R.1, antoniuk1@llnl.gov, Li, Peggy1, Keilbart, Nathan1, Weitzner, Stephen1, Kailkhura, Bhavya1, Hiszpanski, Anna M.1, hiszpanski2@llnl.gov |
| Source: | NPJ Computational Materials; 2/10/2026, Vol. 12 Issue 1, p1-11, 11p |
| Database: | Applied Science & Technology Source |
| ISSN: | 20573960 |
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| DOI: | 10.1038/s41524-025-01924-8 |
