arXiv:2608. 00316v1 Announce Type: new Abstract: Bayesian optimization (BO) has become the standard tool for sample-efficient optimization and owes its efficiency to uncertainty-aware search driven by generic statistical priors.
By Paul Brunzema, Louis Tiao, Nhat Le, Kevin De Angeli, Yao Xuan, Djordje Gligorijevic
The paper introduces AgenticBBO-Bench, a cross‑domain benchmark for evaluating large language model agents on black‑box optimization tasks such as synthetic functions, hyperparameter tuning, database tuning, chip design, and molecular design. Experiments show that agentic BBO outperforms direct LLM‑based methods in all five domains and beats the best numerical optimizers in four. The study also analyzes the impact of optimization tools, task semantics, prior knowledge, and the LLM’s role, finding that numerical tools are not consistently helpful, task semantics are broadly useful, and numerical optimizers can capitalize on agent‑generated search trajectories.
By Ming Chen, Rong-Xi Tan, Ke Xue, Yu-Jie Zhou, Taiye Lu, Zhi-Xuan Gao, Peng Xie, Zijun Shen, Chen Lu, Haopu Shang, Chao Qian
arXiv:2607. 18308v1 Announce Type: cross Abstract: Calibration of grey-box simulation models is a constrained optimization problem in which model evaluations are expensive, the parameter space can be high-dimensional, and the search must respect plausibility constraints.
By David G\'omez-Guill\'en, Mireia Diaz, Josep Lluis Arcos, Jes\'us Cerquides
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:2607. 23124v1 Announce Type: new Abstract: Large language model agents have advanced rapidly, yet progress remains fragmented across domains, capabilities, task difficulty, and interaction settings.
By Hao Jiang, Gangtao Xin, Yingdi Huang, Guojie Zhu, Jiangshan Zhang, Xinyuan Lin, Yunkun Xu, Chengyu Shen, Wenlong Fei, Jiawei Li, Yujie Fu, Sichen Kang, Tingyu Xie, Yedi Hu, Jingren Zhang, Hongcheng Gao, Jianshu Zeng, Chong Chen, Chang Guo, Chao Feng, Feng Wang, Fulin Lin, Jinchao Ma, Lang Mei, Li Huang, Liyan Liu, Qing He, Shuting Tao, Siyu Mo, Xiangnan Chen, Xiaohan Yu, Xiaoyang Li, Yanheng Hou, Yanyu Wu, Zhihan Yang, Wentao Zhang, Yang Gao, Zhao Cao
arXiv:2606. 09118v1 Announce Type: new Abstract: As LLM capabilities advance rapidly, the evaluation methods used to assess them increasingly lag behind.
By Sushant Mehta, Liudas Panavas, Edwin Chen