arXiv:2607.03863v3 Announce Type: replace
Abstract: Artificial intelligence has advanced scientific discovery, but most AI4Science systems remain fragmented tools that rely on humans to coordinate pr...
By Yining Zheng, Yuxin Wang, Jiahao Lu, Shicheng Fang, Weiyi Wang, Yongzhuo Yang, Bowen Li, Haochen Ma, Chen Hu, Bowen Chen, Yang Wang, Huanhui Chen, Yitong Chen, Jiajun Chen, Zhiyuan Li, Yanlin Li, Zhuo Yang, Qifeng Wu, Jiaying He, Zhijie Jinluo, Xiaohu Xu, Yi Feng, Juncheng Qian, Yizhou Chen, Yang Cheng, Tong Zhu, Tianlei Ying, Hongyu Yu, Hongjun Xiang, Xipeng Qiu
arXiv:2608. 14354v1 Announce Type: new Abstract: Enabling LLM agents to sustain productive, stable, and goal-aligned research over extended horizons is a central challenge for autonomous machine learning and scientific discovery, as progress hinges on continuously managing evolving state, exploration decisions, and computational resources.
By Mingming Zhao, Jiqian Dong, Kangping Xu, Zadid Hasan, Chengrui Fan, Shan Jiang, Shuai Mao, Ting Lingya, Linyi Zou, Tailin Zhou, Yun Hin Chan, Wenkai Zhang, Zhanhong Zhou, Guowei Huang, Hongliang Li, Wenjing Cun, Zhitang Chen, Mingxuan Yuan, Yanhui Geng
The paper identifies a phenomenon called principle-level search collapse in feedback-driven large language model (LLM) optimizers, where the search narrows to a limited set of design principles despite ongoing candidate generation and minor improvements. Using a diagnostic benchmark across molecular optimization, network sentinel-node selection, and GPU-kernel optimization, the authors find that 78.3% of runs exhibit collapse, with 55.3% showing strong support. They evaluate common remedies such as diversity injection and reference-principle interventions, noting limited and inconsistent benefits, and emphasize the need for online collapse detection and improved mechanisms for generating and maintaining alternative principles.
By Nian Ran, Tianhe Jia, Zhengyang Mu, Yue Wang, Sebastian Brulin, Markus Olhofer, Mauricio A. Alvarez, Yang Liu, Richard Allmendinger
arXiv:2609.40340v1 Announce Type: new
Abstract: Evolutionary search with large language models (LLMs) can stall when progress requires external knowledge the model lacks. Supplying relevant documents...
By Young-Jun Lee, Jinheon Baek, Soyeong Jeong, Minki Kang, Seungyeon Jwa, Jonghyun Choi, Seungho Han, Dongyeop Kang
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
arXiv:2606. 29082v1 Announce Type: cross Abstract: Would experience designing faster GPU kernels also help close in on a long-standing open mathematical conjecture?
By Young-Jun Lee, Seungone Kim, Minki Kang, Alistair Cheong Liang Chuen, Zerui Chen, Seungho Han, Taehee Jung, Dongyeop Kang