arXiv AI

Agentic AI for operating scientific instruments for nanoscale characterization

The paper introduces an agentic-AI framework that autonomously operates an atomic force microscope (AFM) by integrating a large language model with instrument functions via the Model Context Protocol. Three MCP-based agents—AFM Messenger, AFM Pilot, and AFM Doctor—translate natural‑language instructions into commands, assess and adjust image quality, and diagnose artifacts with transparent post‑processing, respectively. Benchmarking shows that the guarded execution layer eliminates wrong‑command execution, and live experiments demonstrate that the AI matches expert operators in image quality and efficiency.

arXiv AI
Jun 12

LabVLA: Grounding Vision-Language-Action Models in Scientific Laboratories

arXiv:2606. 13578v1 Announce Type: cross Abstract: Scientific laboratories increasingly rely on AI systems to reason about experiments, but the physical act of doing science remains largely outside their reach.

By Baochang Ren, Xinjie Liu, Xi Chen, Yanshuo Liu, Chenxi Li, Daqi Gao, Zeqin Su, Jintao Xing, Zirui Xue, Rui Li, Xiangyu Zhao, Shuofei Qiao, Minting Pan, Wangmeng Zuo, Lei Bai, Dongzhan Zhou, Ningyu Zhang, Huajun Chen
arXiv AI
3d ago

OSWorld-Science: A Benchmark of Computer Use Agents for Learning and Using Scientific Software

OSWorld-Science is a benchmark and evaluation environment for computer-using agents that use visual language models (VLMs) to perform scientific software tasks. It includes 12 VLMs and 146 high-quality tasks across domains such as molecular drawing, pathology image analysis, statistical computing, and physical simulation, with artifact-based evaluation and a harness that logs interactions and supports model comparison. The benchmark was developed through expert proposals and iterative human–AI co‑design, and results show that current VLMs still struggle with key scientific questions, offering insights into factors like language, reasoning, and context length.

By Dingyuan Dai, Heli Qi, Lei Liu, Yinxi Li, Baiding Chen, Zijun Dou, Qingcheng Zeng, Qi Kang, Oliver Sun, Eric Wang, Bo Zhou, Haixin Wang, Yufan Du, Shi Bo, Ruihan Lin, Mengqi Yuan, Dunjie Lu, Steven Dillmann, Yiming Shi, Tina Su, Amy Xin, Minghao Liu, Xi Wang, Xu Huang, Ge Zhang, Pengyu Nie, Zhen Yang, Jie Tang, Juanzi Li, Weihao Xuan, Tianyu Liu
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 AI
Jun 30

BioProVLA-Agent: An Affordable, Protocol-Driven, Vision-Enhanced VLA-Enabled Embodied Multi-Agent System with Closed-Loop-Capable Reasoning for Biological Laboratory Manipulation

arXiv:2605. 07306v2 Announce Type: replace-cross Abstract: Biological laboratory automation can reduce repetitive manual work and improve reproducibility, but reliable embodied execution in wet-lab environments remains challenging.

By Zhaohui Du, Zhe Wang, Hongmei Fei, Xiwen Cao, Ting Xiao, Qi Wang, Huanbo Jin, Jiaming Gu, Quan Lu, Zhe Liu
arXiv AI
Jun 16

LabOSBench: Benchmarking Computer Use Agents for Scientific Instrument Control

arXiv:2606. 16802v1 Announce Type: new Abstract: Current computer-use benchmarks primarily focus on software operation tasks in virtualized systems, whereas scientific instrumentation scenarios require coordinated control over complex interfaces, and feedback-driven parameter adjustment.

By Anqi Zou, Han Deng, Chengyu Zhang, Junquan Hu, Yu Wang, Yuxiang Xing, Aokai Zhang, Hanling Zhang, Zhaoyang Liu, Ben Fei, Zhihui Wang, Wanli Ouyang
arXiv Machine Learning
Sep 25

LabFactory: Building and Evaluating Executable AI Labs

LabFactory is a framework that transforms a scientific brief into an executable AI lab, integrating models, knowledge resources, tools, and a controller behind a fixed interface. The builder packages the lab in a metered workspace, and a separate host evaluates the delivered artifact on held‑out inputs, ensuring the system itself is the evaluation target. Across 28 constructions in seven scientific domains, the delivered labs surpassed reference values on all 33 subtests, demonstrating that an AI agent can fully realize a scientific brief into a working, inspectable lab.

By Jinge Wu, Hongjian Zhou, Mingde Zeng, Jiayuan Zhu, Junde Wu, Jiazhen Pan, Lei Clifton, Andrew Liu, David A. Clifton
arXiv AI
Aug 28

Benchmarking AI Agents for Hardware Design Automation via MCP Tool Calling

The paper investigates whether locally deployed large language models can automate hardware design workflows that involve repetitive, dependency-ordered operations using specialized tools. A Model Context Protocol (MCP) server is created to emulate a proprietary hardware design tool, and a benchmark tests single and multi-step edits, invalid requests, misspelled prompts, and multi-server contexts. Seven open-source models are evaluated across different pipeline choices, revealing that strong models can nearly fully cover expected calls, but reliability hinges on task structure and agent configuration, with comprehensive tool descriptions reducing failures and multi-agent setups aiding weaker models at the cost of extra calls.

By Leonardo Liparulo, Francesco Pierri
arXiv AI
4d ago

MatToolBench: Benchmarking Multimodal Agents in Real-World Materials Science Workflows

MatToolBench is a new benchmark that evaluates multimodal GUI agents on professional materials science software. It contains 204 tasks across 10 tools in three modalities—GUI operation, OriginPro scripting, and code-based database queries—executed inside a Windows 11 VM. The benchmark offers fine-grained, expert-decomposed scoring and a high-performing multimodal judge for aesthetic assessment, revealing that strong general benchmark performance does not transfer to scientific workflows.

By Mei Wu, Rui Xie, Runyu Zhang, Yuqiang Li, Tianfan Fu, Bo Chen, Kai Yu, Xin Chen, Lu Chen