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Paper · arXiv

How to make the most of your masked language model for protein engineering

A plethora of protein language models have been released in recent years. Yet comparatively little work has addressed how to best sample from them to optimize desired biological properties. We fill this gap by proposing a flexible, effective sampling method for masked language models (MLMs), and by systematically evaluating models and methods both in silico and in vitro on actual antibody therapeutics campaigns. Firstly, we propose sampling with stochastic beam search, exploiting the fact that MLMs are remarkably efficient at evaluating the pseudo-perplexity of the entire 1-edit neighborhood of a sequence. Reframing generation in terms of entire-sequence evaluation enables flexible guidan...

AuthorsCalvin McCarter, Nick Bhattacharya, Sebastian W. Ober et al.
Primary categorycs.LG
Published11 March 2026
Last updated at source17 August 2026
cs.LGq-bio.QM
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