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Designing high-performance system heuristics is a creative, iterative process requiring experts to form hypotheses and execute multi-step conceptual shifts. While Large Language Models (LLMs) show promise in automating this loop, they…

Artificial Intelligence · Computer Science 2026-03-24 Pantea Karimi , Kimia Noorbakhsh , Mohammad Alizadeh , Hari Balakrishnan

Automating the adaptation of software engineering (SE) research artifacts across datasets is essential for scalability and reproducibility, yet it remains largely unstudied. Recent advances in large language model (LLM)-based multi-agent…

Software Engineering · Computer Science 2025-11-27 Jingyi Chen , Xiaoyan Guo , Songqiang Chen , Shing-Chi Cheung , Jiasi Shen

Large language models (LLMs) are increasingly used as generators in iterative neural architecture search (NAS), yet no formal convergence theory exists for this class of algorithms. We model iterative LLM-NAS as a parametric Cross-Entropy…

Machine Learning · Computer Science 2026-05-29 Santosh Premi Adhikari , Radu Timofte , Dmitry Ignatov

Large language models (LLMs) excel in open domains but struggle in specialized settings with limited data and evolving knowledge. Existing domain adaptation practices rely heavily on manual trial-and-error processes, incur significant…

Machine Learning · Computer Science 2026-03-10 Sidharth Sinha , Anson Bastos , Xuchao Zhang , Akshay Nambi , Chetan Bansal , Saravan Rajmohan

As AI agents evolve, the community is rapidly shifting from single Large Language Models (LLMs) to Multi-Agent Systems (MAS) to overcome cognitive bottlenecks in automated research. However, the optimal multi-agent coordination framework…

Multiagent Systems · Computer Science 2026-05-12 Yang Shen , Zhenyi Yi , Ziyi Zhao , Lijun Sun , Dongyang Li , Chin-Teng Lin , Yuhui Shi

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

Effectively configuring scalable large language model (LLM) experiments, spanning architecture design, hyperparameter tuning, and beyond, is crucial for advancing LLM research, as poor configuration choices can waste substantial…

Artificial Intelligence · Computer Science 2026-05-19 Taicheng Guo , Nitesh V. Chawla , Olaf Wiest , Xiangliang Zhang

The integration of Large Language Models (LLMs) into software engineering has driven a transition from traditional rule-based systems to autonomous agentic systems capable of solving complex problems. However, systematic progress is…

Software Engineering · Computer Science 2025-10-24 Jiale Guo , Suizhi Huang , Mei Li , Dong Huang , Xingsheng Chen , Regina Zhang , Zhijiang Guo , Han Yu , Siu-Ming Yiu , Pietro Lio , Kwok-Yan Lam

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

LLM discovery and optimization systems are increasingly applied across domains, implementing a common propose-evaluate-revise loop. Such optimization or discovery progresses via context conditioning on received feedback from an environment.…

Artificial Intelligence · Computer Science 2026-05-20 Dmitry Redko , Albert Fazlyev , Konstantin Sozykin , Maria Ivanova , Evgeny Burnaev , Egor Shvetsov

Automated Program Repair (APR) agents leverage Large Language Models (LLMs) to autonomously diagnose and fix software bugs through reasoning, planning, and tool use. Despite impressive leaderboard gains on benchmarks such as SWE-bench,…

Software Engineering · Computer Science 2026-05-28 Ira Ceka , Hailie Mitchell , Saurabh Pujar , Luca Buratti , Shyam Ramji , Junfeng Yang , Gail Kaiser , Baishakhi Ray

Agentic language model (LM) systems power modern applications like "Deep Research" and "Claude Code," and leverage multi-LM architectures to overcome context limitations. Beneath their apparent diversity lies a recurring pattern: smaller…

Machine Learning · Computer Science 2025-12-29 Shizhe He , Avanika Narayan , Ishan S. Khare , Scott W. Linderman , Christopher Ré , Dan Biderman

Recently, LLM-powered driver agents have demonstrated considerable potential in the field of autonomous driving, showcasing human-like reasoning and decision-making abilities.However, current research on aligning driver agent behaviors with…

Robotics · Computer Science 2024-03-19 Ruoxuan Yang , Xinyue Zhang , Anais Fernandez-Laaksonen , Xin Ding , Jiangtao Gong

Large language model (LLM) agents on multi-step tasks suffer reasoning degradation, looping, drift, stuck states, at rates up to 30% on hard tasks. Current solutions include hard step limits (abrupt) or LLM-as-judge monitoring (10-15%…

Artificial Intelligence · Computer Science 2026-04-16 Rafflesia Khan , Nafiul Islam Khan

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

Drug discovery frequently loses momentum when data, expertise, and tools are scattered, slowing design cycles. To shorten this loop we built a hierarchical, tool using agent framework that automates molecular optimisation. A Principal…

Machine Learning · Computer Science 2025-08-06 Atabey Ünlü , Phil Rohr , Ahmet Celebi

Autonomous agents based on Large Language Models (LLMs) have evolved from reactive assistants to systems capable of planning, executing actions via tools, and iterating over environment observations. However, they remain vulnerable to…

Artificial Intelligence · Computer Science 2026-02-27 Elzo Brito dos Santos Filho

Large language models (LLMs) are revolutionizing self driving laboratories (SDLs) for materials research, promising unprecedented acceleration of scientific discovery. However, current SDL implementations rely on rigid protocols that fail…

We present AutoResearch-RL, a framework in which a reinforcement learning agent conducts open-ended neural architecture and hyperparameter research without human supervision, running perpetually until a termination oracle signals…

Machine Learning · Computer Science 2026-03-20 Nilesh Jain , Rohit Yadav , Sagar Kotian , Claude AI

We present a proof-of-principle study demonstrating the use of large language model (LLM) agents to automate a representative high energy physics (HEP) analysis. Using the Higgs boson diphoton cross-section measurement as a case study with…

Data Analysis, Statistics and Probability · Physics 2025-12-10 Eli Gendreau-Distler , Joshua Ho , Dongwon Kim , Luc Tomas Le Pottier , Haichen Wang , Chengxi Yang
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