arXiv:2606. 06473v1 Announce Type: new Abstract: Large language model (LLM) agents are increasingly applied to long-horizon tasks such as scientific discovery and machine learning engineering (MLE), where sustained self-evolution becomes a key capability.
By Shangheng Du, Xiangchao Yan, Jinxin Shi, Zongsheng Cao, Shiyang Feng, Zichen Liang, Boyuan Sun, Tianshuo Peng, Yifan Zhou, Xin Li, Jie Zhou, Liang He, Bo Zhang, Lei Bai
arXiv:2606. 00008v1 Announce Type: new Abstract: Multi-objective molecular optimization requires searching vast chemical spaces under conflicting objectives, where early design decisions strongly constrain downstream outcomes.
By Jia Zhang, Tengfei Ma, Tianle Li, Daojian Zeng, Xieping Gao, Xiangxiang Zeng
arXiv:2605. 08756v2 Announce Type: replace Abstract: Automatic heuristic design (AHD) has emerged as a promising paradigm for solving NP-hard combinatorial optimization problems (COPs).
By Haoze Lv, Ning Lu, Ziang Zhou, Yew-Soon Ong, Shengcai Liu
The paper introduces MCCE, a hybrid framework that combines a frozen closed‑source large language model (LLM) with a lightweight, trainable model for multi‑objective discrete optimization. By maintaining a trajectory memory and refining the small model through reinforcement learning, the two models jointly enhance global exploration and learning. Experiments on drug‑design benchmarks demonstrate that MCCE achieves state‑of‑the‑art Pareto front quality, outperforming existing baselines.
By Nian Ran, Zhongzheng Li, Yue Wang, Qingsong Ran, Xiaoyuan Zhang, Shikun Feng, Richard Allmendinger, Xiaoguang Zhao
arXiv:2609.36683v1 Announce Type: new
Abstract: Molecular optimization is inherently iterative: a candidate is proposed, evaluated against several objectives, and revised while preserving a relations...
By Shicheng Fang, Yuxin Wang, Zhuo Yang, Xiaohu Xu, Jiahao Lu, Chuanyuan Tan, Tong Zhu, Yining Zheng, Xipeng Qiu
Agentic ESOpt proposes using evolution strategies (ES) instead of reinforcement learning to fine‑tune large language‑model agents for long‑horizon tasks. ES offers model scalability, flexibility, and better long‑horizon credit assignment, enabling full‑parameter optimization with minimal GPU memory. The framework samples parameter perturbations, evaluates agents with rewards, and updates online, achieving notable performance gains on WebArena‑Lite and in test‑time prompt‑parameter co‑evolution.
By Zhi Zheng, Rongsheng Chen, Yunpeng Ba, Zhenkun Wang, Yee Whye Teh, Wee Sun Lee