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Large language model (LLM) agents have demonstrated remarkable capabilities in tool use, reasoning, and code generation, yet single-agent systems exhibit fundamental limitations when confronted with complex research tasks demanding…

Artificial Intelligence · Computer Science 2026-03-17 Aaron Shen , Alfred Shen

There has been unprecedented interest in developing agents that expand the boundary of scientific discovery, primarily by optimizing quantitative objective functions specified by scientists. However, for grand challenges in science, these…

Multi-agent Large Language Model (LLM) systems have been leading the way in applied LLM research across a number of fields. One notable area is software development, where researchers have advanced the automation of code implementation,…

Software Engineering · Computer Science 2025-11-25 Vali Tawosi , Keshav Ramani , Salwa Alamir , Xiaomo Liu

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

While scaling individual Large Language Models (LLMs) has delivered remarkable progress, the next frontier lies in scaling collaboration through multi-agent systems (MAS). However, purely autonomous MAS remain ''closed-world'' systems,…

Artificial Intelligence · Computer Science 2026-03-10 Wei Yang , Defu Cao , Jiacheng Pang , Muyan Weng , Yan Liu

Integrating Large Language Models (LLMs) into autonomous agents marks a significant shift in the research landscape by offering cognitive abilities that are competitive with human planning and reasoning. This paper explores the…

Software Engineering · Computer Science 2025-07-21 Junda He , Christoph Treude , David Lo

Large Language Models (LLMs) demonstrate strong generalization and reasoning abilities, making them well-suited for complex decision-making tasks such as medical consultation (MC). However, existing LLM-based methods often fail to capture…

Computation and Language · Computer Science 2025-10-13 Zhihao Jia , Mingyi Jia , Junwen Duan , Jianxin Wang

Large language models (LLMs) have rapidly evolved from text generators into powerful problem solvers. Yet, many open tasks demand critical thinking, multi-source, and verifiable outputs, which are beyond single-shot prompting or standard…

Modern scientific research relies on large-scale data, complex workflows, and specialized tools, which existing LLMs and tool-based agents struggle to handle due to limitations in long-horizon planning, robust goal maintenance, and…

Artificial Intelligence · Computer Science 2026-02-11 NexusAgent Team

Large Language Models have recently gained significant attention in scientific discovery for their extensive knowledge and advanced reasoning capabilities. However, they encounter challenges in effectively simulating observational feedback…

Machine Learning · Computer Science 2024-05-17 Pingchuan Ma , Tsun-Hsuan Wang , Minghao Guo , Zhiqing Sun , Joshua B. Tenenbaum , Daniela Rus , Chuang Gan , Wojciech Matusik

The transition from static Large Language Models (LLMs) to self-improving agents is hindered by the lack of structured reasoning in traditional evolutionary approaches. Existing methods often struggle with premature convergence and…

Artificial Intelligence · Computer Science 2026-01-01 Chunhui Wan , Xunan Dai , Zhuo Wang , Minglei Li , Yanpeng Wang , Yinan Mao , Yu Lan , Zhiwen Xiao

A surge in academic publications calls for automated deep research (DR) systems, but accurately evaluating them is still an open problem. First, existing benchmarks often focus narrowly on retrieval while neglecting high-level planning and…

Computation and Language · Computer Science 2026-02-02 Zhihan Guo , Feiyang Xu , Yifan Li , Muzhi Li , Shuai Zou , Jiele Wu , Han Shi , Haoli Bai , Ho-fung Leung , Irwin King

LLM-driven evolutionary systems have shown promise for automated science discovery, yet existing approaches such as AlphaEvolve rely on full-code histories that are context-inefficient and potentially provide weak evolutionary guidance. In…

Artificial Intelligence · Computer Science 2026-02-04 Jiachen Jiang , Tianyu Ding , Zhihui Zhu

Scientific progress increasingly relies on effective collaboration among researchers, a dynamic that large language models (LLMs) have only begun to emulate. While recent LLM-based scientist agents show promise in autonomous scientific…

Artificial Intelligence · Computer Science 2025-08-04 Weilun Yu , Shixiang Tang , Yonggui Huang , Nanqing Dong , Li Fan , Honggang Qi , Wei Liu , Xiaoli Diao , Xi Chen , Wanli Ouyang

Historically, scientific discovery has been a lengthy and costly process, demanding substantial time and resources from initial conception to final results. To accelerate scientific discovery, reduce research costs, and improve research…

Human-Computer Interaction · Computer Science 2025-06-18 Samuel Schmidgall , Yusheng Su , Ze Wang , Ximeng Sun , Jialian Wu , Xiaodong Yu , Jiang Liu , Michael Moor , Zicheng Liu , Emad Barsoum

The scientific research paradigm is undergoing a profound transformation owing to the development of Artificial Intelligence (AI). Recent works demonstrate that various AI-assisted research methods can largely improve research efficiency by…

Artificial Intelligence · Computer Science 2025-04-10 Jiakang Yuan , Xiangchao Yan , Shiyang Feng , Bo Zhang , Tao Chen , Botian Shi , Wanli Ouyang , Yu Qiao , Lei Bai , Bowen Zhou

The exponential growth of academic publications poses challenges for the research process, such as literature review and procedural planning. Large Language Models (LLMs) have emerged as powerful AI tools, especially when combined with…

Applied Physics · Physics 2025-02-13 Joaquin Ramirez-Medina , Mohammadmehdi Ataei , Alidad Amirfazli

Recently, with the development of tool-calling capabilities in large language models (LLMs), these models have demonstrated significant potential for automating electronic design automation (EDA) flows by interacting with EDA tool APIs via…

Computation and Language · Computer Science 2025-02-18 Haoyuan Wu , Haisheng Zheng , Zhuolun He , Bei Yu

In this white paper, we present AlphaEvolve, an evolutionary coding agent that substantially enhances capabilities of state-of-the-art LLMs on highly challenging tasks such as tackling open scientific problems or optimizing critical pieces…

Large Language Model (LLM) based agents are powerful yet fundamentally static after deployment, lacking the ability to autonomously expand capabilities, generate new tools, or evolve their reasoning. This work introduces a hierarchical…

Computation and Language · Computer Science 2026-01-21 Indrajit Kar , Sammy Zonunpuia , Zonunfeli Ralte
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