arXiv Machine Learning By Marilyn Zhang, Tianfeng Chen, Mark E. Whiting

Biological Context Does Not Reliably Improve LLM-Guided Experimental Optimization

Read the original on arXiv Machine Learning →

The study evaluates whether providing biological context to large language models (LLMs) improves their performance in autonomous laboratory optimization. Using 45 biology tasks derived from 2,485 experimental data points, the authors compared domain‑aware prompting (with biological parameter names, units, and labels) to domain‑agnostic prompting (renamed to be non‑biological) across 19 LLMs over 30 iterations. Results show that domain‑agnostic prompts outperform domain‑aware prompts on 58.7% of tasks by trajectory and 61.9% by endpoint, suggesting that biological knowledge does not reliably enhance LLM‑guided experimental optimization. "whyItMatters":"The findings imply that autonomous laboratory loops should treat biology‑aware optimization as a distinct capability rather than relying on biological context to improve LLM performance."

Machine-generated by The Flow from the publisher's headline and feed description — not written or checked by a human. The full article lives at arXiv Machine Learning.

arXiv AI
Oct 9

Prior or Feedback? What an LLM Uses When Adapting Neural Operators

The study investigates whether large language models (LLMs) rely solely on their initial task context or adapt based on experimental feedback when selecting fine‑tuning configurations for neural operators. Experiments across partial differential equation families show that LLMs outperform random search and Bayesian optimisation, with early configurations already near the top of a random‑search pool and subsequent proposals changing in response to validation scores. Controlled interventions confirm that the LLM combines a task‑dependent prior with sensitivity to observed outcomes.

By Julian Chan, Javier Mora Jimenez
arXiv AI
Sep 7

La Agente \'Optima: Towards Agentic Self-Driving Laboratories

La Agente ’Optima is an agentic framework that builds and manages Bayesian optimization campaigns for self‑driving laboratories, separating large language model reasoning from campaign execution. It maintains a persistent optimization state, allowing consistent repetitive loops and auditable decisions, and only returns control to the agent when interpretation or revision is needed. In tests on digital discovery tasks and physical platforms, it corrected measurement failures, improved yields, and recommended formulation changes, outperforming human‑directed campaigns in cost and material usage.

By Marcel M\"uller, Jiaru Bai, Willi Gottstein, Abhijoy Mandal, Mohammad Nazeri, Elia Savino, Yanlin Fang, Sujoy Das, Sergio Pablo Garc\'ia Carrillo, Yeonghun Kang, Juan B. P\'erez-S\'anchez, Simone Pilon, Martin Fitzner, Timothy No\"el, Frank Gu, Varinia Bernales, Al\'an Aspuru-Guzik
arXiv Computation and Language
Oct 16

FGSS-BO: Feedback-Guided Hypothesis Management for LLM-Based Bayesian Optimization

FGSS-BO introduces a Feedback‑Guided Search State (FGSS) framework that structures hypothesis management for large language model (LLM)‑guided Bayesian optimization. The system couples an LLM reflector, which proposes and revises hypotheses, with a deterministic curator that validates them and tracks test records, thereby linking language‑based guidance to observable evidence and parameter interventions. Applied to the LLAMBO platform, FGSS‑BO improves sample‑mean final best and search AUC on two retrospective protocol/media tasks, while also enabling inspection of hypotheses and their revisions across search rounds.

By Hao Chen, Ziyang Ling, Ronald X. Xu, Mingzhai Sun