arXiv:2607. 00924v1 Announce Type: new Abstract: Accelerating materials discovery requires AI systems that can generate scientifically valid hypotheses through multi-step, domain-grounded reasoning.
By Subhadeep Pal, Shashwat Sourav, Tirthankar Ghosal, Markus J. Buehler
arXiv:2606. 18874v1 Announce Type: new Abstract: AI systems can increasingly automate scientific workflows, but the reasoning that links prior evidence, generated ideas, experiments and final claims often remains implicit inside model inference.
By Zijian Wang, Hanqi Li, Ziyue Yang, Zijian Hu, Shenghan Zuo, Yunzhe Zhang, Da Ma, Danyu Luo, Chenrun Wang, Jing Peng, Tiancheng Huang, Sijia Guo, Huayang Wang, Zichen Zhu, Senyu Han, Yilu Cao, Kai Yu, Lu Chen
arXiv:2607. 17917v1 Announce Type: new Abstract: Scientific Reasoning Graph Extraction (SRGE) aims to recover explicit links among observations, evidence, intermediate claims, and paper-level conclusions.
By Bohan Su, Pengze Li, Yuchen Lu, Xi Chen
arXiv:2607. 14658v1 Announce Type: new Abstract: While Multimodal Large Language Models (MLLMs) excel in general tasks, rigorous scientific reasoning remains challenging due to the limitations of monolithic, linear planning.
By Mingze Xu, Yinghui Li, Jiayi Kuang, Zhanhui Kang, Di Yin, Ying Shen, Xing Sun, Yuxing Han
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
arXiv:2605. 29475v2 Announce Type: replace-cross Abstract: Large language models (LLMs) show remarkable potential in scientific hypothesis discovery.
By Hongran An, Zonglin Yang
arXiv:2606. 07712v1 Announce Type: cross Abstract: Progress in AI-driven crystal materials science has so far been carried by narrow architectures purpose-built for individual tasks -- graph neural networks for property prediction, diffusion and flow-matching models for crystal generation -- each excelling within its niche yet unable to act as a shared backbone across the full spectrum of materials problems.
By Zhan'ao Yao, Boxuan Zhang, Jingyuan Shu, Xiaoyu Wu, Rongyan Wang, Linjing Li, Dajun Zeng, Yudong Yao, Tingwei Chen, Youwei Wang, Xiaolin Zhao, Jiahui Shi, Jianjun Liu
arXiv:2608. 04738v1 Announce Type: new Abstract: Autonomous research agents can generate hypotheses, execute experiments, and draft manuscripts, yet their outputs often contain unsupported claims and inconsistencies between research questions, experiments, results, and conclusions.
By Zhenjiang Ren, Ruiji Li, Xujing Zhang, Ziliang Pang, Shuo Ren, Jiajun Zhang
arXiv:2606. 21005v2 Announce Type: replace Abstract: Scientific discovery workflows often depend on structured curation from the literature.
By Sheng Zhang, Qin Liu, Renqian Luo, Shufang Xie, Reuben Tan, Sean Hayes, Gregory Bryman, Wendong Ge, Ruilian Zhang, Oluwaseun Egbelowo, Kelly Yee, Hoifung Poon
arXiv:2509. 06093v4 Announce Type: replace-cross Abstract: Materials synthesis procedures are predominantly documented as narrative text in papers, protocols, and laboratory records, placing them beyond the reach of conventional data-driven optimization frameworks.
By Yuze Liu, Zhaoyuan Zhang, Xiangsheng Zeng, Yihe Zhang, Leping Yu, Liu Yang, Lejia Wang, Xi Yu
arXiv:2606. 31478v1 Announce Type: new Abstract: Autonomous research agents can now draft hypotheses, write code, run experiments, and produce papers, but they remain brittle when experiments fail.
By Jie Ma, Binfei Chu, Jie Gao, Jinlu Zhang, Yiwei Ma, Yi Tan, Jiayi Ji, Xiaoshuai Sun, Rongrong Ji
arXiv:2607. 25641v1 Announce Type: cross Abstract: While text-to-image models exhibit remarkable visual fidelity, they frequently violate fundamental physical commonsense.
By Yajing Xu, Yarong Lan, Jiaoyan Chen, Yichi Zhang, Jeff Z. Pan, Mingchen Tu, Zhizhen Liu, Wen Zhang, Huajun Chen