arXiv AI

Controlling risks of AI in chemical science with agents

Hugging Face Trending Papers
Jun 17

SciRisk-Bench: A Risk-Dimension-Aware Benchmark for AI4Science Safety

Large language models (LLMs) are increasingly embedded in AI for Science (AI4Science) workflows, from scientific question answering and literature analysis to laboratory planning and autonomous discovery. This progress creates an urgent need for safety benchmarks that evaluate not only scientific competence, but also whether models recognize and avoid risks in high-stakes scientific contexts.

arXiv AI
Jun 18

SciRisk-Bench: A Risk-Dimension-Aware Benchmark for AI4Science Safety

arXiv:2606. 18936v1 Announce Type: new Abstract: Large language models (LLMs) are increasingly embedded in AI for Science (AI4Science) workflows, from scientific question answering and literature analysis to laboratory planning and autonomous discovery.

By Linghao Feng, Yinqian Sun, Dongqi Liang, Sicheng Shen, Chenfei Yan, Yuxuan Peng, Yilin Zhao, Haibo Tong, Kai Li, FeiFei Zhao, Yi Zeng
arXiv AI
Jun 11

Can AI Agents Synthesize Scientific Conclusions?

arXiv:2606. 11337v1 Announce Type: new Abstract: Scientific AI agents increasingly retrieve evidence, reason across sources, and synthesize conclusions used in consequential decisions.

By Hayoung Jung, Pedro Viana Diniz, Jos\'e Reinaldo Corr\^ea Roveda, Abner Fernandes da Silva, Haeun Jung, Enoch Tsai, Aleksandra Korolova, Manoel Horta Ribeiro
arXiv AI
Aug 20

Science Done on a Machine by a Machine: AI Agents in Computational Chemistry

The Perspective reviews the rapid growth of agentic AI systems in computational chemistry, noting an increase from a handful in 2024 to about fifty by August 2026. These systems are evolving from assisting with specific tasks to autonomously designing, executing, and analyzing in‑silico experiments, even drafting manuscripts. While fully autonomous AI scientists are not yet realized and human oversight remains, the trend toward commoditized generalist agents suggests a future where specialized systems may become obsolete, prompting reflection on the field’s direction and priorities.

By Pavlo O. Dral, Hassan Nawaz, Arif Ullah
arXiv AI
Jun 12

Muse Spark Safety & Preparedness Report

arXiv:2606. 12429v1 Announce Type: cross Abstract: Muse Spark is the latest large language model developed by Meta.

By Cristina Menghini (Sail), Peter Ney (Sail), Hamza Kwisaba (Sail), Zifan (Sail), Wang, Miles Turpin, Felix Binder, Jean-Christophe Testud, Aidan Boyd, Nathaniel Li, Ivan Evtimov, Klaudia Krawiecka, Arman Zharmagambetov, Jeremy Kritz, Alexander R. Fabbri, Daniel Song, Jinpeng Miao, Joonas Hjelt, Meghna Ramani, Leona Lan, Reza Aghajani, Joanna Bitton, Mahesh Pasupuleti, Devin Norder, Khalid El-Arini, Paridhi Singh, V\'itor Albiero, Sahana CB, Rashnil Chaturvedi, Elahe Dabir, Edoardo Debenedetti, Jim Gust, Ziwen Han, Kat He, Sean Hendryx, Lifeng Jin, Polina Kirichenko, Sandra Lefdal, Kenneth Li, Asad Liaqat, Inna Lin, Despoina Magka, Neal Mangaokar, Ishita Mediratta, Zach Miller, Smitha Milli, Niloofar Mireshghallah, Saba Nazir, Hung Nguyen, Maximilian Nickel, Kelvin Niu, Kerem Oktar, Bhargavi Paranjape, Parth Pathak, Maya Pavlova, Emmanuel Ramirez, David Renardy, Candace Ross, Yasha Sheynin, Claudia Shi, Shivam Singhal, Evangelia Spiliopoulou, Rakshith Sharma Srinivasa, Jamelle Watson-Daniels, Spencer Whitman, Adina Williams, Chen Xing, Andy Zou, Tommy Ma, Siqi Deng, James Beldock, Prashant Ratanchandani, Kate Plawiak, Taesung Lee, Ryan Victory, Lindsay Hundley, Rachad Alao, Himaghna Bhattacharjee, Jianfeng Chi, Gary Frost, Pegah Ghahremani, Niki Howe, Yuheng Huang, Saeed Jahed, Hannah Korevaar, Trang Le, Zhe Liu, Jinghong Luo, Qin Lyu, Nina Mehrabi, Abraham Montilla, Chirag Nagpal, Cyrus Nikolaidis, Rajvardhan Oak, Manoj Ravi, Vidya Sarma, Aman Shankar, Alana Shine, Eric Michael Smith, Mariana Tandon, Michael Tontchev, Caoyu Wang, Zihan Wang, Corinne Wong, Zheng Wu, Hongyuan Zhan, Justin Zhao, Zexuan Zhong, Chengxu Zhuang, Tristan Goodman, Ayaz Minhas, Harrison Rudolph, Victoria Jeffries, Ingrid Dickinson, Alex Vaughan, Lauren Deason, Kamalika Chaudhuri, Julian Michael, Shengjia Zhao, Summer Yue
arXiv AI
Jun 12

Benchmarking AI Agents for Addressing Scientific Challenges Across Scales

arXiv:2606. 12736v1 Announce Type: new Abstract: AI agents are increasingly being developed to accelerate scientific discovery, yet their practical capabilities in real research settings remain poorly understood.

By Tianyu Liu, Allen Xin Wang, Antonia Panescu, Lisa Xinyi Chen, Wenxin Long, Xinyu Wei, Yueqian Jing, Ziyao Zeng, Jihang Chen, Sihan Jiang, Ziqing Wang, Siyi Gu, Siyu Chen, Xinyang Hu, Haoran Shao, Leqi Xu, Wangjie Zheng, Zhiyuan Cao, Ada Fang, Botao Yu, Kunyang Sun, Rex Ying, Arman Cohan, Qingyu Chen, Lingzhou Xue, Kaize Ding, Yuanqi Du, Wengong Jin, Zhuoran Yang, Marinka Zitnik, James Zou, Hua Xu, Hongyu Zhao
Hugging Face Trending Papers
Jun 22

AI Scientists as Engines of Discovery: A Case for Development within Reformed Institutions

Agentic artificial intelligence (AI) systems are beginning to assist, accelerate, and partially automate scientific discovery, performing tasks that span literature synthesis, code generation, data analysis, hypothesis proposal, and model criticism. We argue that this transition is qualitative rather than incremental, and that suitably designed multi-agent systems may evolve from passive computational tools into ``AI scientists'' that can expand the hypothesis-generating and verification capacity of science.