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Drug discovery remains a formidable challenge: more than 90 percent of candidate molecules fail in clinical evaluation, and development costs often exceed one billion dollars per approved therapy. Disparate data streams, from genomics and…

Artificial Intelligence · Computer Science 2025-04-28 Kevin Song , Andrew Trotter , Jake Y. Chen

We present MOSAIC, a multi-agent Large Language Model (LLM) framework for solving challenging scientific coding tasks. Unlike general-purpose coding, scientific workflows require algorithms that are rigorous, interconnected with deep domain…

Computation and Language · Computer Science 2026-05-05 Siddeshwar Raghavan , Tanwi Mallick

Scientific discovery is slowed by fragmented literature that requires excessive human effort to gather, analyze, and understand. AI tools, including autonomous summarization and question answering, have been developed to aid in…

Artificial Intelligence · Computer Science 2026-04-03 Maxwell J. Jacobson , Daniel Xie , Jackson Shen , Adil Wazeer , Haiyan Wang , Xinghang Zhang , Yexiang Xue

Multi-agent systems (MAS) built on large language models (LLMs) offer a promising path toward solving complex, real-world tasks that single-agent systems often struggle to manage. While recent advancements in test-time scaling (TTS) have…

Artificial Intelligence · Computer Science 2025-08-20 Can Jin , Hongwu Peng , Qixin Zhang , Yujin Tang , Dimitris N. Metaxas , Tong Che

Large Language Models (LLMs) have emerged as powerful tools for accelerating scientific discovery, yet their static knowledge and hallucination issues hinder autonomous research applications. Recent advances integrate LLMs into agentic…

Artificial Intelligence · Computer Science 2025-12-23 Zeyu Xia , Jinzhe Ma , Congjie Zheng , Shufei Zhang , Yuqiang Li , Hang Su , P. Hu , Changshui Zhang , Xingao Gong , Wanli Ouyang , Lei Bai , Dongzhan Zhou , Mao Su

Scientific ideation aims to propose novel solutions within a given scientific context. Existing LLM-based agentic approaches emulate human research workflows, yet inadequately model scientific reasoning, resulting in surface-level…

Computation and Language · Computer Science 2026-05-01 Chenyang Gu , Jiahao Cheng , Meicong Zhang , Pujun Zheng , Jinquan Zheng , Guoxiu He

Modeling coordination among generative agents in complex multi-round decision-making presents a core challenge for AI and operations management. Although behavioral experiments have revealed cognitive biases behind supply chain…

Multiagent Systems · Computer Science 2026-04-21 Jiuyun Jiang , Yuecheng Hong , Bo Yang , Jin Yang , Guangxin Jiang , Xiaomeng Guo , Guang Xiao

While contemporary large language models (LLMs) are increasingly capable in isolation, there are still many difficult problems that lie beyond the abilities of a single LLM. For such tasks, there is still uncertainty about how best to take…

Artificial Intelligence · Computer Science 2026-02-27 Ryan Liu , Dilip Arumugam , Cedegao E. Zhang , Sean Escola , Xaq Pitkow , Thomas L. Griffiths

Understanding how humans collaborate and communicate in teams is essential for improving human-agent teaming and AI-assisted decision-making. However, relying solely on data from large-scale user studies is impractical due to logistical,…

The advancements of large language models (LLMs) have piqued growing interest in developing LLM-based language agents to automate scientific discovery end-to-end, which has sparked both excitement and skepticism about their true…

The "AI Scientist" paradigm is transforming scientific research by automating key stages of the research process, from idea generation to scholarly writing. This shift is expected to accelerate discovery and expand the scope of scientific…

Human-Computer Interaction · Computer Science 2026-02-05 Keyu Zhao , Fengli Xu , Yong Li , Tie-Yan Liu

Real-world visualization tasks involve complex, multi-modal requirements that extend beyond simple text-to-chart generation, requiring reference images, code examples, and iterative refinement. Current systems exhibit fundamental…

Computation and Language · Computer Science 2026-01-27 Jinwei Lu , Yuanfeng Song , Chen Zhang , Raymond Chi-Wing Wong

Flocking is a behavior where multiple agents in a system attempt to stay close to each other while avoiding collision and maintaining a desired formation. This is observed in the natural world and has applications in robotics, including…

Artificial Intelligence · Computer Science 2024-12-18 Peihan Li , Vishnu Menon , Bhavanaraj Gudiguntla , Daniel Ting , Lifeng Zhou

Large Language Models (LLMs) have revolutionized Natural Language Processing but exhibit limitations, particularly in autonomously addressing novel challenges such as reasoning and problem-solving. Traditional techniques like…

Multiagent Systems · Computer Science 2024-01-03 Sumedh Rasal

Human communication is a complex and diverse process that not only involves multiple factors such as language, commonsense, and cultural backgrounds but also requires the participation of multimodal information, such as speech. Large…

Computation and Language · Computer Science 2024-01-09 Dong Zhang , Zhaowei Li , Pengyu Wang , Xin Zhang , Yaqian Zhou , Xipeng Qiu

Large language models (LLMs) are catalyzing the development of autonomous AI research agents for scientific and engineering discovery. We present FM Agent, a novel and general-purpose multi-agent framework that leverages a synergistic…

Scientific Machine Learning (SciML) integrates data-driven inference with physical modeling to solve complex problems in science and engineering. However, the design of SciML architectures, loss formulations, and training strategies remains…

Artificial Intelligence · Computer Science 2026-02-17 Qile Jiang , George Karniadakis

Recent advancements in Large Language Models (LLMs) have led to significant breakthroughs in various natural language processing tasks. However, generating factually consistent responses in knowledge-intensive scenarios remains a challenge…

Computation and Language · Computer Science 2025-01-03 Shengbin Yue , Siyuan Wang , Wei Chen , Xuanjing Huang , Zhongyu Wei

The recent surge of Large Language Models (LLMs) has led to claims that they are approaching a level of creativity akin to human capabilities. This idea has sparked a blend of excitement and apprehension. However, a critical piece that has…

Computation and Language · Computer Science 2025-07-03 Antoine Bellemare-Pepin , François Lespinasse , Philipp Thölke , Yann Harel , Kory Mathewson , Jay A. Olson , Yoshua Bengio , Karim Jerbi

LLM-based agents have emerged as transformative tools capable of executing complex tasks through iterative planning and action, achieving significant advancements in understanding and addressing user needs. Yet, their effectiveness remains…

Human-Computer Interaction · Computer Science 2025-08-26 Mithat Can Ozgun , Jiahuan Pei , Koen Hindriks , Lucia Donatelli , Qingzhi Liu , Junxiao Wang
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