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RT by @_akhaliq: Large Discovery Models: learning where to search next An LLM proposes, a Bayesian…

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TL;DR - Large Discovery Models combine LLM-generated proposals with a Bayesian uncertainty-scoring surrogate in an iterative search loop. The approach reports gains across program discovery, proteins, and molecules, suggesting more efficient exploration of large candidate spaces.

  • The LLM proposes candidates while the Bayesian surrogate estimates uncertainty and guides where to search next.
  • The iterative loop reportedly cuts validation error by 2.4×.
  • Reported domain gains include an 18% improvement in binding energy and more than 60% improvement in molecular objectives.
  • Results span multiple discovery settings, though the provided content does not specify methods, baselines, or datasets.

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RT by @_akhaliq: Large Discovery Models: learning where to search next An LLM proposes, a Bayesian…

@HuggingPapers 2026-08-18
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Providers: Hugging Face · N/A OpenAlex · N/A Publisher · N/A Semantic Scholar · N/A X · N/A Fetched 2026-09-19 14:26:06.305130 UTC

TL;DR - Large Discovery Models combine LLM-generated proposals with a Bayesian uncertainty-scoring surrogate in an iterative search loop. The approach reports gains across program discovery, proteins, and molecules, suggesting more efficient exploration of large candidate spaces.

  • The LLM proposes candidates while the Bayesian surrogate estimates uncertainty and guides where to search next.
  • The iterative loop reportedly cuts validation error by 2.4×.
  • Reported domain gains include an 18% improvement in binding energy and more than 60% improvement in molecular objectives.
  • Results span multiple discovery settings, though the provided content does not specify methods, baselines, or datasets.
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