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:2602. 15353v3 Announce Type: replace-cross Abstract: Large pretrained language models and neural reasoning systems have advanced many natural language tasks, yet they remain challenged by knowledge-intensive queries that require precise, structured multi-hop inference.
By Rong Fu, Yang Li, Zeyu Zhang, Jiekai Wu, Yaohua Liu, Shuaishuai Cao, Yangchen Zeng, Yuhang Zhang, Xiaojing Du, Simon Fong
arXiv:2608. 04170v1 Announce Type: cross Abstract: AI co-scientists can generate fluent materials-science hypotheses, but fluency does not show that an answer preserves a scientifically meaningful mechanism.
By Shashwat Sourav, Subhadeep Pal, Markus J. Buehler, Sanjay Das, Fiona Y. Wang, Dominik Soos, Tirthankar Ghosal
arXiv:2607. 14114v1 Announce Type: cross Abstract: Graph learning under distribution shift presents a persistent challenge, where models adapt to new graphs with limited or even no supervision.
By Haohua Niu, Xingtong Yu, Yang Liu, Junfeng Fang, Xuanting Xie, Jie Tan, Zhongjian Zhang, Hong Cheng, Yuan Fang
arXiv:2606. 18089v1 Announce Type: new Abstract: Post-training pipelines that combine supervised fine-tuning (SFT) with reinforcement learning (RL) have emerged as the key recipe for transforming large language models (LLMs) into robust reasoners.
By Lingjing Kong, Xin Liu, Guangyi Chen, Martin Q. Ma, Xiangchen Song, Yuekai Sun, Mikhail Yurochkin, Taylor W. Killian, Ruslan Salakhutdinov, Kun Zhang, Eric P. Xing, Zhengzhong Liu
arXiv:2601. 15158v4 Announce Type: replace-cross Abstract: Transformers trained via Reinforcement Learning (RL) with outcome-based supervision can spontaneously develop the ability to generate intermediate reasoning steps (Chain-of-Thought).
By Yuval Ran-Milo, Yotam Alexander, Shahar Mendel, Nadav Cohen
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:2603. 04852v2 Announce Type: replace Abstract: Multi-step theorem prediction is a central challenge in geometry problem solving.
By Junbo Zhao, Ting Zhang, Can Li, Wei He, Jingdong Wang, Hua Huang
arXiv:2607. 07708v1 Announce Type: cross Abstract: Structure-property relationships are foundational to biology, chemistry and materials science, where function, reactivity and physical response emerge from spatial, chemical and periodic organization.
By Chen Tang, Yizhou Wang, Jianyu Wu, Lintao Wang, Shixiang Tang, Pengze Li, Encheng Su, Jun Yao, Jiabei Xiao, Yuqi Shi, Jielan Li, Hongxia Hao, Zhangyang Gao, Fang Wu, Ben Fei, Xiangyu Yue, Pan Tan, Bozitao Zhong, Jinouwen Zhang, Aoran Wang, Yan Lu, Jiaheng Liu, Xinzhu Ma, Liang Hong, Mingyue Zheng, Phil Torr, Bowen Zhou, Wanli Ouyang, Lei Bai
arXiv:2604. 12503v2 Announce Type: replace-cross Abstract: Large Language Models (LLMs) have shown remarkable capabilities across various tasks but remain prone to hallucinations in knowledge-intensive scenarios.
By Shuai Wang, Xixi Wang, Yinan Yu
arXiv:2607. 10127v1 Announce Type: cross Abstract: Evolutionary program search guided by Large Language Models (LLMs) has emerged as a powerful paradigm for automated scientific discovery.
By Xuanzhou Chen, Taoli Cheng
arXiv:2606. 04579v1 Announce Type: new Abstract: While Process Reward Models (PRMs) have achieved remarkable success in mathematical reasoning, their application in complex scientific domains-such as biology, chemistry, and physics remains largely unexplored.
By Xiangyu Zhao, Hengyuan Zhao, Yiheng Wang, Wanghan Xu, Yuhao Zhou, Qinglong Cao, Zhiwang Zhou, Lei Bai, Wenlong Zhang, Xiao-Ming Wu