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Algorithmic discovery has traditionally relied on human ingenuity and extensive experimentation. Here we investigate whether a prominent scientific computing algorithm, the Kalman Filter, can be discovered through an automated, data-driven,…

Neural and Evolutionary Computing · Computer Science 2025-08-26 Vasileios Saketos , Sebastian Kaltenbach , Sergey Litvinov , Petros Koumoutsakos

The convergence of artificial intelligence and materials science presents a transformative opportunity, but achieving true acceleration in discovery requires moving beyond task-isolated, fine-tuned models toward agentic systems that plan,…

Corpus linguistics has traditionally relied on human researchers to formulate hypotheses, construct queries, and interpret results - a process demanding specialized technical skills and considerable time. We propose Agent-Driven Corpus…

Computation and Language · Computer Science 2026-04-09 Jia Yu , Weiwei Yu , Pengfei Xiao , Fukun Xing

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

Tool-Integrated Reasoning (TIR) with search engines enables large language models to iteratively retrieve up-to-date external knowledge, enhancing adaptability and generalization in complex question-answering tasks. However, existing search…

Computation and Language · Computer Science 2025-11-18 Yaocheng Zhang , Haohuan Huang , Zijun Song , Yuanheng Zhu , Qichao Zhang , Zijie Zhao , Dongbin Zhao

The exponential growth of scientific literature poses unprecedented challenges for researchers attempting to synthesize knowledge across rapidly evolving fields. We present \textbf{Agentic AutoSurvey}, a multi-agent framework for automated…

Information Retrieval · Computer Science 2025-09-24 Yixin Liu , Yonghui Wu , Denghui Zhang , Lichao Sun

Autoresearch offers a flexible paradigm for automating scientific tasks, in which an AI agent proposes, implements, evaluates, and refines candidate solutions against a quantitative objective. Here, we use composition-based…

Materials Science · Physics 2026-05-15 Matteo Cobelli , Stefano Sanvito

Scientific discovery is often slowed by the manual development of computational tools needed to analyze complex experimental data. Building such tools is costly and time-consuming because scientists must iteratively review literature, test…

Artificial Intelligence · Computer Science 2026-05-19 Alistair Turcan , Kexin Huang , Lei Li , Martin Jinye Zhang

While scaling training compute has led to remarkable improvements in large language models (LLMs), scaling inference compute has not yet yielded analogous gains. We hypothesize that a core missing component is a lack of diverse LLM outputs,…

Machine Learning · Computer Science 2024-10-22 Evan Wang , Federico Cassano , Catherine Wu , Yunfeng Bai , Will Song , Vaskar Nath , Ziwen Han , Sean Hendryx , Summer Yue , Hugh Zhang

We introduce Agentic Reasoning, a framework that enhances large language model (LLM) reasoning by integrating external tool-using agents. Agentic Reasoning dynamically leverages web search, code execution, and structured memory to address…

Artificial Intelligence · Computer Science 2025-07-16 Junde Wu , Jiayuan Zhu , Yuyuan Liu , Min Xu , Yueming Jin

Classical optimization algorithms--hill climbing, simulated annealing, population-based methods--generate candidate solutions via random perturbations. We replace the random proposal generator with an LLM agent that reasons about evaluation…

Artificial Intelligence · Computer Science 2026-03-31 Yitao Li

The reasoning frontier of Large Language Models (LLMs) has advanced significantly through modern post-training paradigms (e.g., Reinforcement Learning from Verifiable Rewards (RLVR)). However, the efficacy of these methods remains…

Machine Learning · Computer Science 2026-05-13 Liqin Ye , Yanbin Yin , Michael Galarnyk , Yuzhao Heng , Sudheer Chava , Chao Zhang

Multi-agent systems powered by large language models have demonstrated remarkable capabilities across diverse domains, yet existing automated design approaches seek monolithic solutions that fail to adapt resource allocation based on query…

Artificial Intelligence · Computer Science 2025-10-06 Bo Ma , Hang Li , ZeHua Hu , XiaoFan Gui , LuYao Liu , Simon Liu

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

Large language models (LLMs) have created new opportunities to enhance the efficiency of scholarly activities; however, challenges persist in the ethical deployment of AI assistance, including (1) the trustworthiness of AI-generated…

Computation and Language · Computer Science 2026-02-27 Mengze Hong , Di Jiang , Chen Jason Zhang , Zichang Guo , Yawen Li , Jun Chen , Shaobo Cui , Zhiyang Su

Scientific research has long been human-led, driving new knowledge and transformative technologies through the continual revision of questions, methods and claims as evidence accumulates. Although large language model (LLM)-based agents are…

Artificial Intelligence · Computer Science 2026-05-01 Shuxing Yang , Fujia Chen , Rui Zhao , Junyao Wu , Yize Wang , Haiyao Luo , Ning Han , Qiaolu Chen , Yuze Hu , Wenhao Li , Mingzhu Li , Hongsheng Chen , Yihao Yang

Verifying LLM-generated systems code is hard: bugs are prevalent, formal specifications are missing, and safety contracts are encoded implicitly at call sites rather than enforced at function boundaries. We propose agentic model checking, a…

Software Engineering · Computer Science 2026-05-21 Youcheng Sun , Jiawen Liu , Daniel Kroening , Jason Xue

In creative design, where aesthetics play a crucial role in determining the quality of outcomes, there are often multiple worthwhile possibilities, rather than a single ``best'' design. This challenge is compounded in the use of…

Neural and Evolutionary Computing · Computer Science 2023-05-09 Jon McCormack , Camilo Cruz Gambardella , Stephen James Krol

Large Language Models (LLMs) have emerged as powerful operators for evolutionary search, yet the design of efficient search scaffolds remains ad hoc. While promising, current LLM-in-the-loop systems lack a systematic approach to managing…

Code evolution is a family of techniques that rely on large language models to search through possible computer programs by evolving or mutating existing code. Many proposed code evolution pipelines show impressive performance but are often…

Artificial Intelligence · Computer Science 2026-02-20 Yonatan Gideoni , Sebastian Risi , Yarin Gal