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We envision "AI scientists" as systems capable of skeptical learning and reasoning that empower biomedical research through collaborative agents that integrate AI models and biomedical tools with experimental platforms. Rather than taking…

Evolve-based agent such as AlphaEvolve is one of the notable successes in using Large Language Models (LLMs) to build AI Scientists. These agents tackle open-ended scientific problems by iteratively improving and evolving programs,…

Machine Learning · Computer Science 2026-03-31 Yongqiang Chen , Chenxi Liu , Zhenhao Chen , Tongliang Liu , Bo Han , Kun Zhang

The advent of large language models (LLMs) has catalyzed a transformative shift in artificial intelligence, paving the way for advanced intelligent agents capable of sophisticated reasoning, robust perception, and versatile action across…

We introduce Evolutionary Ensemble (EvE), a decentralized framework that organizes existing, highly capable coding agents into a live, co-evolving system for algorithmic discovery. Rather than reinventing the wheel within the "LLMs as…

Neural and Evolutionary Computing · Computer Science 2026-05-15 Zongmin Yu , Liu Yang

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

Multi-agent large language model frameworks are promising for complex multi step reasoning, yet existing systems remain weak for scientific and knowledge intensive domains due to static prompts and agent roles, rigid workflows, and…

Artificial Intelligence · Computer Science 2026-03-04 Yichao Feng , Haoran Luo , Zhenghong Lin , Yiqun Sun , Pengfei Wei , Lawrence B. Hsieh , Anh Tuan Luu

Large Language Model (LLM) agents have demonstrated remarkable capabilities in organizing and executing complex tasks, and many such agents are now widely used in various application scenarios. However, developing these agents requires…

Artificial Intelligence · Computer Science 2025-10-01 Chenglin Yu , Yang Yu , Songmiao Wang , Yucheng Wang , Yifan Yang , Jinjia Li , Ming Li , Hongxia Yang

Recent agentic systems demonstrate that large language models can generate scientific visualizations from natural language. However, reliability remains a major limitation: systems may execute invalid operations, introduce subtle but…

Human-Computer Interaction · Computer Science 2026-03-27 Nathaniel Gorski , Shusen Liu , Bei Wang

Recent multi-LLM agent systems have shown promising capabilities for automated problem-solving, yet they predominantly rely on frozen agents or static fine-tuning pipelines. To address this limitation, our primary contribution is ATLAS…

Artificial Intelligence · Computer Science 2026-05-22 Ujin Jeon , Jiyong Kwon , Madison Ann Sullivan , Caleb Eunho Lee , Guang Lin

Large language models (LLMs) have evolved into agentic systems capable of autonomous tool use and multi-step reasoning for complex problem-solving. However, post-training approaches building upon general-purpose foundation models…

Recent advances in deep-research systems have demonstrated the potential for AI agents to autonomously discover and synthesize knowledge from external sources. In this paper, we introduce WebResearcher, a novel framework for building such…

Language models are revolutionizing the biochemistry domain, assisting scientists in drug design and chemical synthesis with high efficiency. Yet current approaches struggle between small language models prone to hallucination and limited…

Machine Learning · Computer Science 2026-02-02 Hao Li , He Cao , Shenyao Peng , Zijing Liu , Bin Feng , Yu Wang , Zhiyuan Yan , Yonghong Tian , Yu Li , Li Yuan

The rapid advancement of large language models (LLMs) has transformed the landscape of agentic information seeking capabilities through the integration of tools such as search engines and web browsers. However, current mainstream approaches…

Computation and Language · Computer Science 2025-05-29 Dingchu Zhang , Yida Zhao , Jialong Wu , Baixuan Li , Wenbiao Yin , Liwen Zhang , Yong Jiang , Yufeng Li , Kewei Tu , Pengjun Xie , Fei Huang

Statefulness is essential for large language model (LLM) agents to perform long-term planning and problem-solving. This makes memory a critical component, yet its management and evolution remain largely underexplored. Existing evaluations…

Recent advancements in Large Language Models (LLMs) have led to a rapid growth of agentic systems capable of handling a wide range of complex tasks. However, current research largely relies on manual, task-specific design, limiting their…

Computation and Language · Computer Science 2025-02-28 Yu Shang , Yu Li , Keyu Zhao , Likai Ma , Jiahe Liu , Fengli Xu , Yong Li

As large language models (LLMs) continue to advance in programming tasks, LLM-driven coding systems have evolved from one-shot code generation into complex systems capable of iterative improvement during inference. However, existing code…

Software Engineering · Computer Science 2026-02-12 Wentao Zhang , Jianfeng Wang , Liheng Liang , Yilei Zhao , HaiBin Wen , Zhe Zhao

Agentic visual analytics (VA) represents an emerging class of systems in which large language model (LLM)-driven agents autonomously plan, execute, evaluate, and iterate across the full visual analytics pipeline. By shifting users from…

Databases · Computer Science 2026-04-20 Tianqi Luo , Leixian Shen , Yuyu Luo

Recent significant advances in integrating multiple Large Language Model (LLM) systems have enabled Agentic Frameworks capable of performing complex tasks autonomously, including novel scientific research. We develop and demonstrate such a…

Artificial Intelligence · Computer Science 2025-07-16 Darui Lu , Jordan M. Malof , Willie J. Padilla

LLM-based agents depend on effective tool-use policies to solve complex tasks, yet optimizing these policies remains challenging due to delayed supervision and the difficulty of credit assignment in long-horizon trajectories. Existing…

Artificial Intelligence · Computer Science 2026-03-06 Shuo Yang , Soyeon Caren Han , Xueqi Ma , Yan Li , Mohammad Reza Ghasemi Madani , Eduard Hovy

AI is increasingly playing a pivotal role in transforming how scientific discoveries are made. We introduce The AI Scientist-v2, an end-to-end agentic system capable of producing the first entirely AI generated peer-review-accepted workshop…

Artificial Intelligence · Computer Science 2025-04-14 Yutaro Yamada , Robert Tjarko Lange , Cong Lu , Shengran Hu , Chris Lu , Jakob Foerster , Jeff Clune , David Ha
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