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:2601. 02424v2 Announce Type: replace-cross Abstract: The synthesis of nanocrystals has been highly dependent on trial-and-error, due to the complex correlation between synthesis parameters and physicochemical properties.
By Kai Gu, Yingping Liang, Senliang Peng, Aotian Guo, Haizheng Zhong, Ying Fu
arXiv:2606. 14215v1 Announce Type: new Abstract: The emergence of Large Language Models (LLMs) has inspired the vision of generating bespoke crystal materials directly from natural-language instructions, enabling users to design materials through intuitive, conversational interaction.
By Yusei Ito, Yuta Suzuki, Tomoya Murata, Masaki Adachi
arXiv:2509. 23071v2 Announce Type: replace-cross Abstract: Retrieval-augmented generation (RAG) agent development is hindered by the lack of executable ground-truth agent-environment interaction trajectories.
By Muzhi Li, Jinhu Qi, Yihong Wu, Minghao Zhao, Liheng Ma, Yifan Li, Xinyu Wang, Zhenghan Tai, Zixing Song, Yingxue Zhang, Ho-fung Leung, Irwin King
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:2605. 28742v2 Announce Type: replace Abstract: Language models can use verifiable rewards to improve at a wide variety of reasoning tasks.
By Linas Nasvytis, Simon Jerome Han, Ben Prystawski, Satchel Grant, Noah D. Goodman, Judith E. Fan