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Large language models as uncertainty-calibrated optimizers for experimental discovery
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关键摘要
Nature Machine Intelligence, Published online: 28 August 2026; doi:10.…
- 1038/s42256-026-01283-zAlthough language models can be helpful in mole…
- Rankovic and colleagues present a method to train language models whil…
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正文提要
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 the uncertainty of the data.