arXiv Machine Learning

Biological Context Does Not Reliably Improve LLM-Guided Experimental Optimization

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."

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
arXiv Machine Learning
Sep 22

Tool-Augmented On-Policy Distillation for LLM Domain Adaptation in Sequence-Based Omics Tasks

The paper introduces OmicsBench, a new reasoning benchmark for multi‑omics sequences that includes 1,160 expert‑validated questions across DNA regulation, RNA processing, and protein function tasks, requiring traceable evidence chains. Evaluation of 17 large language models shows that scientific LLMs, while more accurate in classification, often lack valid evidence, suggesting shortcut learning. To address this, the authors propose tool‑augmented on‑policy distillation (TA‑OPD), a post‑training method that improves both evidence grounding and predictive performance across five Qwen3.5 models of varying sizes.

By Jie Ying, Zhefan Wang, Zihong Chen, Zhengqing Li, Jinzhe Li, Gang Li, Jian Liu, Fang Hu, Tao Luo, Zhonghang Yuan, Wanli Ouyang, Stan Z. Li, Fan Yang, Nanqing Dong
arXiv AI
Jul 20

RLearner-LLM: Balancing Logical Grounding and Fluency in Large Language Models via Hybrid Direct Preference Optimization

arXiv:2605. 04539v4 Announce Type: replace-cross Abstract: Direct Preference Optimization (DPO), the efficient alternative to PPO-based RLHF, falls short on knowledge-intensive generation: standard preference signals from human annotators or LLM judges exhibit a systematic verbosity bias that rewards fluency over logical correctness.

By Qiming Bao, Juho Leinonen, Paul Denny, Michael J. Witbrock
arXiv AI
Aug 12

RLMOpt: Adaptive Prompt Optimization via Recursive Language Models

arXiv:2608. 10471v1 Announce Type: new Abstract: Prompt optimizers automate the search for prompts that improve language-model performance, but existing methods rely on a predefined optimization procedure: the algorithm determines which candidates to explore and how the search progresses, while the language model generates or refines prompt proposals.

By Subhash Bangalore Satheesha, Nirvik Pande, Deepthi Duddempudi, Bharath Dandala