arXiv AI

Compressing the Validation Bottleneck: An Agentic Self-Driving Lab for Scientific Discovery

arXiv:2607. 04508v1 Announce Type: new Abstract: Agentic AI-for-Science can automate ideation, planning, and analysis, but final validation still depends on real experiments.

arXiv AI
Jun 9

A case study of evaluating AI agents on a neuroscience data-to-discovery pipeline

arXiv:2606. 07718v1 Announce Type: new Abstract: Agentic AI tools offer a promising path to automating software development bottlenecks in scientific research pipelines, particularly for stages that take domain experts days to months to build, where scientists care about correctness and robustness, not implementation details.

By Kai A. Horstmann, Ethan Lin, Alice A. Robie, Jennifer J. Sun, Kristin Branson
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
arXiv AI
Jun 6

AutoDFT: A Closed-Loop Multi-Agent Framework for Autonomous DFT Calculations

arXiv:2605. 26179v2 Announce Type: replace-cross Abstract: Density functional theory (DFT) serves as the basis for computational discovery in materials science and chemistry, yet each calculation demands extensive human effort: adjusting algorithms when convergence stalls, revising plans when unexpected physics emerges, and inserting steps as intermediate results reshape the problem.

By Penghui Yang, Zhonghan Zhang, Yue Li, Xinrun Wang, Yanchen Deng, Yuhao Lu, Bijun Tang, Zheng Liu, Bo An
Hugging Face Trending Papers
Jun 3

AutoLab: Can Frontier Models Solve Long-Horizon Auto Research and Engineering Tasks?

Scientific and engineering progress is fundamentally a long-horizon iterative process: proposing changes, running experiments, measuring outcomes, and continuously refining artifacts. Yet existing benchmarks for frontier models primarily evaluate either single-turn responses or short-horizon agent trajectories, failing to capture the challenges of sustained iterative improvement over extended time horizons.

arXiv AI
Jul 20

Recursive Harness Self-Improvement

arXiv:2607. 15524v1 Announce Type: cross Abstract: Under model--harness co-evolution, harnesses are not merely inference-time scaffolds but data-generating components whose execution traces can shape future foundation models.

By Hyunin Lee, Jinglue Xu, Jeffrey Seely, Donghyun Lee, Matei Zaharia, Yujin Tang
Hugging Face Trending Papers
Aug 4

Can LLM design high-quality experiments? A Comprehensive and Systematic Benchmark on Autonomous Experimental Design

AI for Research (AI4Research) leverages AI to automate and improve scientific workflows. While experimental design is a critical stage of the research process, prior work has focused primarily on code implementation and execution, overlooking the importance of this stage, and no benchmark exists to evaluate AI's ability to conduct systematic experiment design.