arXiv AI

Apodex Discovery: Reality Benchmarks and Environments for Evaluating and Building Discoverative Artificial Intelligence

arXiv:2608. 11341v1 Announce Type: new Abstract: Apollo did not reach the Moon merely because its engineers could solve difficult equations.

arXiv AI
Aug 5

MDArena: Evaluating Coding Agents on Realistic Molecular Dynamics Workflows

arXiv:2608. 02642v1 Announce Type: cross Abstract: Accelerating scientific discovery is among the most consequential applications of AI, and computational biomolecular simulation stands out as a particularly promising target within this broader effort.

By Nithishwer Mouroug Anand, Wei-Tse Hsu, Kyle Vaccaro, Eden James Gage, Jonathan David Colburn, Linda Xi Phan, Minjoon Seo, Kevin Guan, Philip C. Biggin
arXiv AI
Jun 30

Accelerating scientific discovery with Co-Scientist

arXiv:2502. 18864v2 Announce Type: replace Abstract: Scientific discovery is driven by scientists generating novel hypotheses for complex problems that undergo rigorous experimental validation.

By Juraj Gottweis, Wei-Hung Weng, Alexander Daryin, Tao Tu, Petar Sirkovic, Artiom Myaskovsky, Grzegorz Glowaty, Felix Weissenberger, Alessio Orlandi, Dan Popovici, Anil Palepu, Keran Rong, Ryutaro Tanno, Khaled Saab, Fan Zhang, Jacob Blum, Andrew Carroll, Kavita Kulkarni, Nenad Tomasev, Dina Zverinski, Ivor Rendulic, Elahe Vedadi, Florian Hasler, Luka Rimanic, Marina Boia, Ivan Budiselic, Ben Feinstein, Mathias Bellaiche, Tom Sheffer, Jan Freyberg, Jeremy Ratcliff, Ottavia Bertolli, Katherine Chou, Avinatan Hassidim, Burak Gokturk, Amin Vahdat, Yuan Guan, Vikram Dhillon, Eeshit Dhaval Vaishnav, Byron Lee, Tiago R D Costa, Jos\'e R Penad\'es, Gary Peltz, Yossi Matias, James Manyika, Demis Hassabis, Yunhan Xu, Pushmeet Kohli, Annalisa Pawlosky, Alan Karthikesalingam, Vivek Natarajan
arXiv AI
Aug 6

Argus: A General-Purpose Agentic Runtime for Long-Horizon Reasoning

arXiv:2608. 05144v1 Announce Type: new Abstract: Long-horizon reasoning requires an agentic runtime that can persist when evidence supports its current approach and pivot when measurements reveal failure, hidden constraints, or a misspecified objective.

By Boxiu Li, Zimo Wen, Yijia Fan, Junxiang Lei, Sufeng Guo, Jiaao Wu, Ruize Tang, Mukai Li, Yifei Shen, Xiaoyu Chen, Wanbo Zhang, Runjing Gu, Yifei Gao, Yuheng Wu, Xuyao Huang, Zelong Zhao, Jiachen Zhang, Shibo Hu, Hangxi Guo, Yilin Chen, Yuzhe Zhang, Fan Yang, Chuan Wen, Xian Zhang, Xuanhe Zhou, Zhijie Deng
arXiv AI
Aug 11

Argus: A General-Purpose Agentic Reasoning Runtime for Long-Horizon Tasks

arXiv:2608. 05144v2 Announce Type: replace Abstract: Long-horizon reasoning requires an agentic runtime that can persist when evidence supports its current approach and pivot when measurements reveal failure, hidden constraints, or a misspecified objective.

By Boxiu Li, Zimo Wen, Yijia Fan, Chuan Wen, Fan Yang, Hangxi Guo, Jiaao Wu, Jiachen Zhang, Junxiang Lei, Mukai Li, Ruize Tang, Runjing Gu, Shibo Hu, Sihan Chen, Sufeng Guo, Wanbo Zhang, Xian Zhang, Xiaoyu Chen, Xuanhe Zhou, Xuyao Huang, Yifei Gao, Yifei Shen, Yilin Chen, Yuheng Wu, Yuzhe Zhang, Zelong Zhao, Zhijie Deng
arXiv AI
Jun 16

MedAI: Evaluating TxAgent's Therapeutic Agentic Reasoning in the NeurIPS CURE-Bench Competition

arXiv:2512. 11682v2 Announce Type: replace Abstract: Therapeutic decision-making in clinical medicine constitutes a high-stakes domain in which AI guidance interacts with complex interactions among patient characteristics, disease processes, and pharmacological agents.

By Tim Cofala, Christian Kalfar, Jingge Xiao, Johanna Schrader, Michelle Tang, Wolfgang Nejdl
arXiv AI
Jul 29

Structured Scaling of AI Discovery Across Diverse Scientific Domains

arXiv:2604. 19341v2 Announce Type: replace-cross Abstract: Scientific discovery often requires many cycles of proposing, testing, and refining candidate solutions.

By Haotian Ye, Haowei Lin, Jingyi Tang, Yizhen Luo, Rahul Thapa, Caiyin Yang, Chang Su, Rui Yang, Ruihua Liu, Rundao Li, Zeyu Li, Pengwei Sun, Chong Gao, Dachao Ding, Guangrong He, Miaolei Zhang, Lina Sun, Wenyang Wang, Yuchen Zhong, Zhuohao Shen, Puheng Li, Pan Lu, Bianxiao Cui, Di He, Jianzhu Ma, Junfeng Li, Hexi Baoyin, Yejin Choi, Stefano Ermon, Xiaowen Chu, Tongyang Li, Yuzhi Xu, James Zou
arXiv AI
Jul 16

Automatic Ordinary Differential Equations Discovery For Biological Systems Using Large Language Model Powered Agentic System

arXiv:2607. 13608v1 Announce Type: new Abstract: Automatic scientific discovery has long been a goal of computational scholars - a machine that can discover nature's secrets on its own, moving computational systems beyond data-fitting tools toward the generation and refinement of mechanistic models of the universe.

By David Krongauz, Arad Zulti, Eran Segal, Teddy Lazebnik
arXiv AI
2d ago

ScienceFlow: A long-horizon agent for ML research, scientific discovery and beyond

arXiv:2608. 14354v1 Announce Type: new Abstract: Enabling LLM agents to sustain productive, stable, and goal-aligned research over extended horizons is a central challenge for autonomous machine learning and scientific discovery, as progress hinges on continuously managing evolving state, exploration decisions, and computational resources.

By Mingming Zhao, Jiqian Dong, Kangping Xu, Zadid Hasan, Chengrui Fan, Shan Jiang, Shuai Mao, Ting Lingya, Linyi Zou, Tailin Zhou, Yun Hin Chan, Wenkai Zhang, Zhanhong Zhou, Guowei Huang, Hongliang Li, Wenjing Cun, Zhitang Chen, Mingxuan Yuan, Yanhui Geng