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While LLMs have shown impressive capabilities in solving math or coding problems, the ability to make scientific discoveries remains a distinct challenge. This paper proposes a "Turing test for an AI scientist" to assess whether an AI agent…

Artificial Intelligence · Computer Science 2024-05-24 Xiaoxin Yin

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

The rapid evolution of Agentic AI and large language models (LLMs) presents transformative opportunities for higher education institutions. This chapter introduces the concept of self-driving universities, a vision in which AI-enabled…

Computers and Society · Computer Science 2026-02-24 Anis Koubaa

The integration of Large Language Models (LLMs) into scientific discovery is currently hindered by the Implicit Context problem, where governing equations extracted from literature contain invisible thermodynamic assumptions (e.g.,…

Databases · Computer Science 2026-03-11 Yue Wua , Tianhao Su , Rui Hu , Mingchuan Zhao , Shunbo Hu , Deng Pan , Jizhong Huang

As data continues to grow in scale and complexity, preparing, transforming, and analyzing it remains labor-intensive, repetitive, and difficult to scale. Since data contains knowledge and AI learns knowledge from it, the alignment between…

Artificial Intelligence · Computer Science 2025-10-07 Yanjie Fu , Dongjie Wang , Wangyang Ying , Xinyuan Wang , Xiangliang Zhang , Huan Liu , Jian Pei

The integration of large language models (LLMs) into materials science offers a transformative opportunity to streamline computational workflows, yet current agentic systems remain constrained by rigid, carefully crafted domain-specific…

Materials Science · Physics 2026-04-08 Fengxu Yang , Jack D. Evans

Multi-agent AI systems powered by large language models (LLMs) are increasingly applied to solve complex tasks. However, these systems often rely on fragile, manually designed prompts and heuristics, making optimization difficult. A key…

Artificial Intelligence · Computer Science 2025-02-10 Wanjia Zhao , Mert Yuksekgonul , Shirley Wu , James Zou

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 increasing availability of large-scale datasets has fueled rapid progress across many scientific fields, creating unprecedented opportunities for research and discovery while posing significant analytical challenges. Recent advances in…

Artificial Intelligence · Computer Science 2025-12-01 Erzhuo Shao , Yifang Wang , Yifan Qian , Zhenyu Pan , Han Liu , Dashun Wang

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…

As particle accelerators grow in complexity, traditional control methods face increasing challenges in achieving optimal performance. This paper envisions a paradigm shift: a decentralized multi-agent framework for accelerator control,…

Accelerator Physics · Physics 2025-09-04 Antonin Sulc , Thorsten Hellert , Raimund Kammering , Hayden Hoschouer , Jason St. John

Large Language Models (LLMs) have achieved remarkable progress on advanced reasoning tasks such as mathematics and coding competitions. Meanwhile, physics, despite being both reasoning-intensive and essential to real-world understanding,…

Computation and Language · Computer Science 2025-10-20 Shenghe Zheng , Qianjia Cheng , Junchi Yao , Mengsong Wu , Haonan He , Ning Ding , Yu Cheng , Shuyue Hu , Lei Bai , Dongzhan Zhou , Ganqu Cui , Peng Ye

Urban research aims to understand how cities operate and evolve as complex adaptive systems. With the rapid growth of urban data and analytical methodologies, the central challenge of the field has shifted from data availability to the…

Computers and Society · Computer Science 2025-12-29 Tong Xia , Jiankun Zhang , Ruiwen You , Ao Xu , Linghao Zhang , Tengyao Tu , Jingzhi Wang , Jinghua Piao , Yunke Zhang , Fengli Xu , Yong Li

We present pAI/MSc, an open-source, customizable, modular multi-agent system for academic research workflows. Our goal is not autonomous scientific ideation, nor fully automated research. It is narrower and more practical: to reduce by…

Artificial Intelligence · Computer Science 2026-04-23 Mahmoud Abdelmoneum , Pierfrancesco Beneventano , Tomaso Poggio

Given the remarkable performance of Large Language Models (LLMs), an important question arises: Can LLMs conduct human-like scientific research and discover new knowledge, and act as an AI scientist? Scientific discovery is an iterative…

Machine Learning · Computer Science 2025-02-24 Tingting Chen , Srinivas Anumasa , Beibei Lin , Vedant Shah , Anirudh Goyal , Dianbo Liu

While large language models (LLMs) promise to revolutionize automated scientific discovery, their application in rigorous real-world physical research is stalled by two critical barriers: a lack of realistic evaluation benchmarks and…

Computational Physics · Physics 2026-05-12 Ken Deng , Xiangfei Wang , Guijing Duan , Chen Mo , Junkun Huang , Runqing Zhang , Ling Qian , Zhiguo Huang , Jize Han , Di Luo

The design of alloys is a multi-scale problem that requires a holistic approach that involves retrieving relevant knowledge, applying advanced computational methods, conducting experimental validations, and analyzing the results, a process…

Artificial Intelligence · Computer Science 2024-07-16 Alireza Ghafarollahi , Markus J. Buehler

Autonomous scientific research is significantly advanced thanks to the development of AI agents. One key step in this process is finding the right scientific literature, whether to explore existing knowledge for a research problem, or to…

Large language model (LLM)-based multi-agent systems enable expressive agent reasoning but are expensive to scale and poorly calibrated for timestep-aligned state-transition simulation, while classical agent-based models (ABMs) offer…

Multiagent Systems · Computer Science 2026-02-10 Kavana Venkatesh , Yinhan He , Jundong Li , Jiaming Cui