Large language models as uncertainty-calibrated optimizers for experimental discovery

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Nature Machine Intelligence, Published online: 28 August 2026; doi:10.1038/s42256-026-01283-z Although language models can be helpful in molecular design, they are not typically calibrated for uncertainty. Rankovic and colleagues present a method to train language models while taking into account t…

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1. 2026-08-28 00:00 · Nature Machine Intelligence
   Large language models as uncertainty-calibrated optimizers for experimental discovery