arXiv Machine Learning

Organon : From Evolutionary Search to Recursive Self-Improving Agents for Scientific Discovery

Organon is a recursively self‑improving agent designed for scientific discovery that autonomously revises its search strategies, population management, diagnostics, memory, and worker coordination during execution. By diagnosing and correcting its own adaptation procedures, the agent continuously refines the mechanisms guiding its future self‑improvement. Across 21 computational discovery tasks—including algorithm design, GPU kernel optimization, and systems optimization—Organon outperforms competing frameworks, achieving a 20.5% mean performance gain on ALE‑Bench Lite and up to 1.67× speedups on KernelBench.

arXiv Computation and Language
2d ago

Rethinking Scientific Discovery in the Agentic Era

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 AI
Aug 17

ScienceFlow: A long-horizon agent for ML research, scientific discovery and beyond

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
arXiv Machine Learning
Oct 22

An important Bottleneck in LLM Optimizers: Principle-Level Local Optima

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 AI
Jul 14

FIRE-Bench: Evaluating AI Agents on the Rediscovery of Scientific Insights

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 Computation and Language
Oct 15

Scaling Discovery Requires Forgetting

arXiv:2610.20563v1 Announce Type: cross Abstract: Automated research with LLM agents has shown promising results in various domains. Through iterative refinement and scored verifiers, LLM agents are...

By Shangyin Tan, Ben Zhou, Lakshya A Agrawal, Jialin Zhang, Yilin Chen, Qiuyang Mang, Donghyun Lee, Dennis Jacob, Koushik Sen, Alex Dimakis, Matei Zaharia
arXiv Machine Learning
Sep 23

Recursive self-improvement of AI research agents

The paper introduces AIDE^2, an AI research agent that recursively improves its own code by proposing, benchmarking, and selecting modifications. Over an eight‑day autonomous run, it achieved seven successive improvements—including new search policies and memory mechanisms—that transferred to four held‑out benchmarks in machine learning, algorithm engineering, and weather forecasting. The agent’s best version matched or outperformed a top human‑engineered production research agent and also reduced reward‑hacking rates, despite never optimizing for that metric.

By Dhruv Srikanth, Bingchen Zhao, Dixing Xu, Yuxiang Wu, Zhengyao Jiang
arXiv AI
Jul 29

Structured Scaling of AI Discovery Across Diverse Scientific Domains

arXiv:2604. 19341v2 Announce Type: replace-cross Abstract: Scientific discovery often requires many cycles of proposing, testing, and refining candidate solutions.

By Haotian Ye, Haowei Lin, Jingyi Tang, Yizhen Luo, Rahul Thapa, Caiyin Yang, Chang Su, Rui Yang, Ruihua Liu, Rundao Li, Zeyu Li, Pengwei Sun, Chong Gao, Dachao Ding, Guangrong He, Miaolei Zhang, Lina Sun, Wenyang Wang, Yuchen Zhong, Zhuohao Shen, Puheng Li, Pan Lu, Bianxiao Cui, Di He, Jianzhu Ma, Junfeng Li, Hexi Baoyin, Yejin Choi, Stefano Ermon, Xiaowen Chu, Tongyang Li, Yuzhi Xu, James Zou