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Discovering scaling laws for predicting model performance at scale is a fundamental and open-ended challenge, mostly reliant on slow, case specific human experimentation. To investigate the potential for LLMs to automate this process, we…

Machine Learning · Computer Science 2026-01-23 Haowei Lin , Haotian Ye , Wenzheng Feng , Quzhe Huang , Yujun Li , Hubert Lim , Zhengrui Li , Xiangyu Wang , Jianzhu Ma , Yitao Liang , James Zou

Large language models hold promise as scientific assistants, yet existing agents either rely solely on algorithm evolution or on deep research in isolation, both of which face critical limitations. Pure algorithm evolution, as in…

Artificial Intelligence · Computer Science 2025-10-08 Gang Liu , Yihan Zhu , Jie Chen , Meng Jiang

Developing autonomous agents that quickly explore an environment and adapt their behavior online is a canonical challenge in robotics and machine learning. While humans are able to achieve such fast online exploration and adaptation, often…

Machine Learning · Computer Science 2025-07-15 Andrew Wagenmaker , Zhiyuan Zhou , Sergey Levine

The study of system complexity primarily has two objectives: to explore underlying patterns and to develop theoretical explanations. Pattern exploration seeks to clarify the mechanisms behind the emergence of system complexity, while…

Multiagent Systems · Computer Science 2026-02-18 Xiao Xue , Deyu Zhou , Ming Zhang , Xiangning Yu , Fei-Yue Wang

The demands on visual recognition systems do not end with the complexity offered by current large-scale image datasets, such as ImageNet. In consequence, we need curious and continuously learning algorithms that actively acquire knowledge…

Computer Vision and Pattern Recognition · Computer Science 2016-12-20 Christoph Käding , Erik Rodner , Alexander Freytag , Joachim Denzler

Artificial intelligence has demonstrated remarkable capability in predicting scientific properties, yet scientific discovery remains an inherently physical, long-horizon pursuit governed by experimental cycles. Most current computational…

Artificial Intelligence · Computer Science 2026-03-23 Xiang Zhuang , Chenyi Zhou , Kehua Feng , Zhihui Zhu , Yunfan Gao , Yijie Zhong , Yichi Zhang , Junjie Huang , Keyan Ding , Lei Bai , Haofen Wang , Qiang Zhang , Huajun Chen

Explaining observed phenomena through symbolic, interpretable formulas is a fundamental goal of science. Recently, large language models (LLMs) have emerged as promising tools for symbolic equation discovery, owing to their broad domain…

Artificial Intelligence · Computer Science 2026-02-26 Jianke Yang , Ohm Venkatachalam , Mohammad Kianezhad , Sharvaree Vadgama , Rose Yu

Artificial intelligence systems for scientific discovery have demonstrated remarkable potential, yet existing approaches remain largely proprietary and operate in batch-processing modes requiring hours per research cycle, precluding…

Artificial Intelligence · Computer Science 2026-01-28 Lukas Weidener , Marko Brkić , Mihailo Jovanović , Ritvik Singh , Chiara Baccin , Emre Ulgac , Alex Dobrin , Aakaash Meduri

Modeling agent behavior is central to understanding the emergence of complex phenomena in multiagent systems. Prior work in agent modeling has largely been task-specific and driven by hand-engineering domain-specific prior knowledge. We…

Multiagent Systems · Computer Science 2018-08-02 Aditya Grover , Maruan Al-Shedivat , Jayesh K. Gupta , Yura Burda , Harrison Edwards

Process discovery studies ways to use event data generated by business processes and recorded by IT systems to construct models that describe the processes. Existing discovery algorithms are predominantly concerned with constructing process…

Multiagent Systems · Computer Science 2023-07-24 Andrei Tour , Artem Polyvyanyy , Anna Kalenkova , Arik Senderovich

Large Language Model (LLM)-based multi-agent systems (MAS) demonstrate remarkable potential for scientific discovery. Existing approaches, however, often automate scientific discovery using predefined workflows that lack rationality…

Machine Learning · Computer Science 2026-02-10 Yingming Pu , Tao Lin , Hongyu Chen

Agents based on large language models have shown great potential in accelerating scientific discovery by leveraging their rich background knowledge and reasoning capabilities. In this paper, we introduce BioDiscoveryAgent, an agent that…

Artificial Intelligence · Computer Science 2025-03-11 Yusuf Roohani , Andrew Lee , Qian Huang , Jian Vora , Zachary Steinhart , Kexin Huang , Alexander Marson , Percy Liang , Jure Leskovec

Exploration is one of the most important tasks in Reinforcement Learning, but it is not well-defined beyond finite problems in the Dynamic Programming paradigm (see Subsection 2.4). We provide a reinterpretation of exploration which can be…

Artificial Intelligence · Computer Science 2021-11-24 John C. Raisbeck , Matthew W. Allen , Hakho Lee

Frontier scientific reasoning is rapidly emerging as a key foundation for advancing AI agents in automated scientific discovery. Deep research agents offer a promising approach to this challenge. These models develop robust problem-solving…

Artificial Intelligence · Computer Science 2026-05-27 Tianshi Zheng , Rui Wang , Xiyun Li , Kelvin Kiu Wai Tam , Newt Nguyen Kim Hue Nam , Wei Fan , Yangqiu Song , Tianqing Fang

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. Existing benchmarks face a…

Artificial Intelligence · Computer Science 2026-02-04 Zhen Wang , Fan Bai , Zhongyan Luo , Jinyan Su , Kaiser Sun , Xinle Yu , Jieyuan Liu , Kun Zhou , Claire Cardie , Mark Dredze , Eric P. Xing , Zhiting Hu

Artificial intelligence (AI) is reshaping scientific discovery, evolving from specialized computational tools into autonomous research partners. We position Agentic Science as a pivotal stage within the broader AI for Science paradigm,…

Agentic systems, in which diverse agents cooperate to tackle challenging problems, are exploding in popularity in the AI community. However, existing agentic frameworks take a relatively narrow view of agents, apply a centralized model, and…

Multiagent Systems · Computer Science 2026-01-30 Alok Kamatar , J. Gregory Pauloski , Yadu Babuji , Ryan Chard , Mansi Sakarvadia , Daniel Babnigg , Kyle Chard , Ian Foster

Scientific discovery is poised for rapid advancement through advanced robotics and artificial intelligence. Current scientific practices face substantial limitations as manual experimentation remains time-consuming and resource-intensive,…

Computation and Language · Computer Science 2025-04-04 Pengsong Zhang , Heng Zhang , Huazhe Xu , Renjun Xu , Zhenting Wang , Cong Wang , Animesh Garg , Zhibin Li , Arash Ajoudani , Xinyu Liu

Modern scientific discovery increasingly requires coordinating distributed facilities and heterogeneous resources, forcing researchers to act as manual workflow coordinators rather than scientists. Advances in AI leading to AI agents show…

Artificial Intelligence · Computer Science 2025-09-15 Woong Shin , Renan Souza , Daniel Rosendo , Frédéric Suter , Feiyi Wang , Prasanna Balaprakash , Rafael Ferreira da Silva

We are witnessing significant progress on perception models, specifically those trained on large-scale internet images. However, efficiently generalizing these perception models to unseen embodied tasks is insufficiently studied, which will…

Robotics · Computer Science 2023-03-21 Ya Jing , Tao Kong