arXiv:2610.18572v1 Announce Type: new
Abstract: Automated post-training transforms pre-trained large language models (LLMs) into models capable of handling diverse domains by automatically constructi...
By Ruohong Liu, Bohan Tang, Lekang Jiang, Jack Umenberger, Yiwen Guo
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
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
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:2606. 16517v1 Announce Type: new Abstract: Scientific reasoning models for biology combine language models with foundation models trained on multimodal biological data, including DNA, RNA, and proteins.
By Lukas Fesser, Hanlin Zhang, Michelle M. Li, Eric Wang, Bryan Perozzi, Shekoofeh Azizi, Sham M. Kakade, Marinka Zitnik
arXiv:2607. 00531v1 Announce Type: cross Abstract: Scientific reasoning is an increasingly important capability of large language models, yet improving the robustness and efficiency of training such reasoning remains a key open challenge.
By Xuefeng Liu, Mingxuan Cao, Qinan Huang, Thomas Brettin, Rick Stevens, Le Cong
Scientific reasoning models for biology combine language models with foundation models trained on multimodal biological data, including DNA, RNA, and proteins. These models are built through post-training, yet how each stage shapes reasoning and generalization remains poorly understood.
arXiv:2606. 29082v1 Announce Type: cross Abstract: Would experience designing faster GPU kernels also help close in on a long-standing open mathematical conjecture?
By Young-Jun Lee, Seungone Kim, Minki Kang, Alistair Cheong Liang Chuen, Zerui Chen, Seungho Han, Taehee Jung, Dongyeop Kang
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: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: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
arXiv:2608.22967v1 Announce Type: new
Abstract: Practical molecular inverse design is rarely a one-shot generation problem; it often takes the form of closed-loop candidate-pool enrichment, where und...
By Yaoyao Xu, Xinjian Zhao, Xiaozhuang Song, Lei Bai, Tianshu Yu