arXiv:2608. 03501v1 Announce Type: new Abstract: AI for Research (AI4Research) leverages AI to automate and improve scientific workflows.
By Zejun Liu, Jian Wu, Ru Peng, Yuliang Ji, Dongyuan Li, Renhe Jiang, Yue Zhang
arXiv:2608.31076v1 Announce Type: cross
Abstract: Autonomous scientific research agents are increasingly applied to end-to-end scientific workflows, including literature review, data analysis, experi...
By Xuehai Wang, Haowei Qin, Tongxin Liu, Junkai Li, Buqiang Xu, Jintian Zhang, Yijun Chen, Zirui Xue, Shumin Deng
The paper "Beyond Execution: Auditing Experimental Fidelity in LLM-Driven Scientific Research" argues that large language model agents must faithfully implement reference methods, design experiments that truly test claims, and provide supporting evidence. It reports that agents often hallucinate methodology—reducing datasets, substituting components, or drawing conclusions from limited resources—leading to false claims. To counter this, the authors introduce ABE‑Ralph, a reference‑anchored auditing framework that structures experimental constraints, guides implementation, and verifies results, achieving a 93% robust execution rate across 30 reproduction runs and matching or exceeding state‑of‑the‑art performance on 5 NatureBench tasks.
"whyItMatters":"The study demonstrates that evaluating AI scientists requires more than code execution; it must ensure experimental design and evidence truly support the claimed scientific outcomes."
By Lezhi Yu, Xiaogang Xu, Yuhua Zhou, Shuibing He, Aimin Pan
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
D3‑Gym is the first automatically constructed dataset that provides verifiable environments for scientific data‑driven discovery, comprising 565 tasks from 239 real scientific repositories across four disciplines. Each task includes a natural‑language instruction, an executable environment with pre‑installed dependencies, dataset previews, a reference solution, and an automatically synthesized evaluation script that achieves 87.5% agreement with human‑annotated gold standards. Training on trajectories sampled from D3‑Gym consistently improves Qwen3 models on ScienceAgentBench, and the platform also serves as a testbed for studying agentic optimization loops such as Autoresearch on real scientific workflows.
By Hanane Nour Moussa, Yifei Li, Zhuoyang Li, Yankai Yang, Cheng Tang, Tianshu Zhang, Nesreen K. Ahmed, Ali Payani, Ziru Chen, Huan Sun
arXiv:2608. 05120v1 Announce Type: new Abstract: Kinetic model discovery is a central challenge in chemical engineering, as accurate rate expressions are essential for understanding and controlling chemical and biological processes.
By Roberto Aliaga Medina, Paulina Quintanilla, Antonio del Rio Chanona
The paper introduces SCILAWS-BENCH, a benchmark for evaluating large language models (LLMs) on scientific law discovery. It contains 118 problems from 381 scientific papers, covering 291 candidate laws and about 8 million real data points across six disciplines. The benchmark offers two settings: SCILAWS-REAL, where models must propose laws from fixed real observations, and SCILAWS-PARALLEL, where models actively query synthetic worlds to recover hidden laws.
By Yiming Huang, Ziche Liu, Zhuohang Wu, Yiqian Wang, Junxia Cui, Xinkai Zou, Linjun Mao, Nan Huang, Naicheng Yu, Kaijie Zhu, Yue Ma, Kun Zhou, Letian Peng, Jingbo Shang
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.
arXiv:2602. 02905v2 Announce Type: replace Abstract: Autonomous agents powered by large language models (LLMs) promise to accelerate scientific discovery end-to-end, but rigorously evaluating their capacity for verifiable discovery remains a central challenge.
By Zhen Wang, Fan Bai, Zhongyan Luo, Jinyan Su, Kaiser Sun, Xinle Yu, Jieyuan Liu, Kun Zhou, Claire Cardie, Mark Dredze, Zhiting Hu, Eric P. Xing
Autonomous scientific research agents are increasingly applied to end-to-end scientific workflows, including literature review, data analysis, experimentation, and report generation. However, open-end...
Kinetic model discovery is a central challenge in chemical engineering, as accurate rate expressions are essential for understanding and controlling chemical and biological processes. Symbolic regression (SR) has emerged as a powerful data-driven approach for identifying interpretable kinetic models, but usually operates without domain knowledge, often exploring physicochemically implausible models.
arXiv:2607. 22677v1 Announce Type: cross Abstract: Scientific datasets intended for AI use require both computational readiness for model training and metadata readiness for discovery, sharing, and reuse.
By Sean R. Wilkinson, Polina Shpilker, Wesley Brewer