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In this work, we investigate the potential of large language models (LLMs) based agents to automate data science tasks, with the goal of comprehending task requirements, then building and training the best-fit machine learning models.…

Machine Learning · Computer Science 2024-05-29 Siyuan Guo , Cheng Deng , Ying Wen , Hechang Chen , Yi Chang , Jun Wang

Recent advances in large language models (LLMs) have shown great potential to accelerate drug discovery. However, the specialized nature of biochemical data often necessitates costly domain-specific fine-tuning, posing major challenges.…

Machine Learning · Computer Science 2025-11-17 Namkyeong Lee , Edward De Brouwer , Ehsan Hajiramezanali , Tommaso Biancalani , Chanyoung Park , Gabriele Scalia

Reinforcement learning with verifiable rewards improves reasoning in large language models (LLMs), but many methods still rely on large human-labeled datasets. While self-play reduces this dependency, it often lacks explicit planning and…

Artificial Intelligence · Computer Science 2026-03-18 Yulin Peng , Xinxin Zhu , Chenxing Wei , Nianbo Zeng , Leilei Wang , Ying Tiffany He , F. Richard Yu

The integration of a complex set of Electronic Design Automation (EDA) tools to enhance interoperability is a critical concern for circuit designers. Recent advancements in large language models (LLMs) have showcased their exceptional…

Hardware Architecture · Computer Science 2024-09-24 Zhuolun He , Haoyuan Wu , Xinyun Zhang , Xufeng Yao , Su Zheng , Haisheng Zheng , Bei Yu

We introduce AgentAda, the first LLM-powered analytics agent that can learn and use new analytics skills to extract more specialized insights. Unlike existing methods that require users to manually decide which data analytics method to…

Large language models (LLMs) are widely used for tutoring, feedback generation, and content creation, but their broad pretraining makes them hard to constrain and poor substitutes for controllable learners. Educational systems often require…

Computation and Language · Computer Science 2026-05-11 Hyeongdon Moon , Carolyn Rosé , John Stamper

The rapid advancement of large language models (LLMs) has significantly enhanced the capabilities of AI-driven agents across various tasks. However, existing agentic systems, whether based on fixed pipeline algorithms or pre-defined…

Artificial Intelligence · Computer Science 2025-06-03 Xunjian Yin , Xinyi Wang , Liangming Pan , Li Lin , Xiaojun Wan , William Yang Wang

Large Language Models (LLMs) have demonstrated remarkable capabilities across diverse tasks but remain fundamentally static, unable to adapt their internal parameters to novel tasks, evolving knowledge domains, or dynamic interaction…

Multimodal Large Language Models (MLLMs) are evolving from passive observers into active agents, solving problems through Visual Expansion (invoking visual tools) and Knowledge Expansion (open-web search). However, existing evaluations fall…

Artificial Intelligence · Computer Science 2026-04-06 Qianshan Wei , Yishan Yang , Siyi Wang , Jinglin Chen , Binyu Wang , Jiaming Wang , Shuang Chen , Zechen Li , Yang Shi , Yuqi Tang , Weining Wang , Yi Yu , Chaoyou Fu , Qi Li , Yi-Fan Zhang

The transition from monolithic large language models (LLMs) to modular, skill-equipped agents represents a fundamental architectural shift in artificial intelligence deployment. While general-purpose models demonstrate remarkable breadth in…

Artificial Intelligence · Computer Science 2026-03-18 Shuzhen Bi , Mengsong Wu , Hao Hao , Keqian Li , Wentao Liu , Siyu Song , Hongbo Zhao , Aimin Zhou

Task planning, the problem of sequencing actions to reach a goal from an initial state, is a core capability requirement for autonomous robotic systems. Whether large language models (LLMs) can serve as viable planners alongside classical…

Artificial Intelligence · Computer Science 2026-03-09 Kai Göbel , Pierrick Lorang , Patrik Zips , Tobias Glück

Developing intelligent agents for long-term cooperation in dynamic open-world scenarios is a major challenge in multi-agent systems. Traditional Multi-agent Reinforcement Learning (MARL) frameworks like centralized training decentralized…

Artificial Intelligence · Computer Science 2025-02-11 Hanqing Yang , Jingdi Chen , Marie Siew , Tania Lorido-Botran , Carlee Joe-Wong

Coding agents produce rich trajectories while solving software-engineering tasks. To enable agent self-evolution, these trajectories can be distilled into reusable procedural skills that compactly encode experience to guide future behavior.…

Artificial Intelligence · Computer Science 2026-05-26 Yanzhou Li , Yiran Zhang , Xiaoyu Zhang , Xiaoxia Liu , Yang Liu

Large language models are quickly becoming the foundation for intelligent agents that are capable of using tools. However, training such agents is challenging because it requires human creation and annotation of a diverse set of tasks,…

Artificial Intelligence · Computer Science 2025-06-03 Yifei Zhou , Sergey Levine , Jason Weston , Xian Li , Sainbayar Sukhbaatar

Transformer-based large language models are rapidly advancing in the field of machine learning research, with applications spanning natural language, biology, chemistry, and computer programming. Extreme scaling and reinforcement learning…

Chemical Physics · Physics 2023-04-12 Daniil A. Boiko , Robert MacKnight , Gabe Gomes

Recent advances in large language models (LLMs) have enabled a new class of AI agents that automate multiple stages of the data science workflow by integrating planning, tool use, and multimodal reasoning across text, code, tables, and…

The advancement of data-driven materials science is currently constrained by a fundamental bottleneck: the vast majority of historical experimental data remains locked within the unstructured text and rasterized figures of legacy scientific…

Databases · Computer Science 2026-02-04 Yue Wu , Tianhao Su , Shunbo Hu , Deng Pan

Recent advancements in Large Language Models (LLMs) have spurred interest in deploying LLM agents to undertake tasks in the world. LLMs are often deployed in agent systems: code that orchestrates LLM calls and provides them with tools. We…

Artificial Intelligence · Computer Science 2025-05-20 Maxime Robeyns , Martin Szummer , Laurence Aitchison

This article surveys Cognitive Edge Computing as a practical and methodical pathway for deploying reasoning-capable Large Language Models (LLMs) and autonomous AI agents on resource-constrained devices at the network edge. We present a…

Machine Learning · Computer Science 2025-11-10 Xubin Wang , Qing Li , Weijia Jia

Computing has long served as a cornerstone of scientific discovery. Recently, a paradigm shift has emerged with the rise of large language models (LLMs), introducing autonomous systems, referred to as agents, that accelerate discovery…