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Fully autonomous science has long been a defining ambition for artificial intelligence in materials discovery, yet its realization requires more than automating isolated calculations. In computational catalysis, a system autonomously…

Materials Science · Physics 2026-05-13 Honghao Chen , Jiangjie Qiu , Yi Shen Tew , Xiaonan Wang

Conventional biomedical research is increasingly labor-intensive due to the exponential growth of scientific literature and datasets. Artificial intelligence (AI), particularly Large Language Models (LLMs), has the potential to…

Multiagent Systems · Computer Science 2025-07-08 Yi Luo , Linghang Shi , Yihao Li , Aobo Zhuang , Yeyun Gong , Ling Liu , Chen Lin

The integration of artificial intelligence (AI) in education has shown significant promise, yet the effective personalization of learning, particularly in physics education, remains a challenge. This paper proposes Physics-STAR, a framework…

Physics Education · Physics 2024-06-18 Zhoumingju Jiang , Mengjun Jiang

High enrollment in STEM-related degree programs has created increasing demand for scalable tutoring support, as universities experience a shortage of qualified instructors and teaching assistants (TAs). To address this challenge, LeafTutor,…

Computers and Society · Computer Science 2026-01-07 Madison Bochard , Tim Conser , Alyssa Duran , Lazaro Martull , Pu Tian , Yalong Wu

Data science aims to extract insights from data to support decision-making processes. Recently, Large Language Models (LLMs) have been increasingly used as assistants for data science, by suggesting ideas, techniques and small code…

Artificial Intelligence · Computer Science 2025-10-23 Irene Testini , José Hernández-Orallo , Lorenzo Pacchiardi

This paper explores ideas and provides a potential roadmap for the development and evaluation of physics-specific large-scale AI models, which we call Large Physics Models (LPMs). These models, based on foundation models such as Large…

As large language models reshape scientific research, literature retrieval faces a twofold challenge: ensuring source authenticity while maintaining a deep comprehension of academic search intents. While reliable, traditional…

Information Retrieval · Computer Science 2026-05-15 Yuwen Du , Tian Jin , Jing Kang , Xianghe Pang , Jingyi Chai , Tingjia Miao , Fenyi Liu , WenHao Wang , Sikai Yao , Yuzhi Zhang , Siheng Chen

LLMs have made significant progress in complex but easy-to-verify problems, yet they still struggle with discovering the unknown. In this paper, we present \textbf{AlphaResearch}, an autonomous research agent designed to discover new…

Computation and Language · Computer Science 2026-04-02 Zhaojian Yu , Kaiyue Feng , Yilun Zhao , Shilin He , Xiao-Ping Zhang , Arman Cohan

The paradigm of agentic science requires AI systems to conduct robust reasoning and engage in long-horizon, autonomous exploration. However, current scientific benchmarks remain confined to domain knowledge comprehension and complex…

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

Effective information seeking in the vast and ever-growing digital landscape requires balancing expansive search with strategic reasoning. Current large language model (LLM)-based agents struggle to achieve this balance due to limitations…

Artificial Intelligence · Computer Science 2025-08-13 Xianghe Pang , Shuo Tang , Rui Ye , Yuwen Du , Yaxin Du , Siheng Chen

Physics problems constitute a significant aspect of reasoning, necessitating complicated reasoning ability and abundant physics knowledge. However, existing large language models (LLMs) frequently fail due to a lack of knowledge or…

Computation and Language · Computer Science 2024-12-19 Xinyu Pang , Ruixin Hong , Zhanke Zhou , Fangrui Lv , Xinwei Yang , Zhilong Liang , Bo Han , Changshui Zhang

We have witnessed remarkable advances in LLM reasoning capabilities with the advent of DeepSeek-R1. However, much of this progress has been fueled by the abundance of internet question-answer (QA) pairs, a major bottleneck going forward,…

Large Reasoning Models (LRMs) have made significant progress in mathematical capabilities in recent times. However, these successes have been primarily confined to competition-level problems. In this work, we propose AI Mathematician (AIM)…

Artificial Intelligence · Computer Science 2025-05-29 Yuanhang Liu , Yanxing Huang , Yanqiao Wang , Peng Li , Yang Liu

As AI capabilities advance toward and potentially beyond human-level performance, a natural transition emerges where AI-driven development becomes more efficient than human-centric approaches. A promising pathway toward this transition lies…

Artificial Intelligence · Computer Science 2025-06-23 Zexi Liu , Yuzhu Cai , Xinyu Zhu , Yujie Zheng , Runkun Chen , Ying Wen , Yanfeng Wang , Weinan E , Siheng Chen

With the rapid development of Large Language Models (LLMs), AI agents have demonstrated increasing proficiency in scientific tasks, ranging from hypothesis generation and experimental design to manuscript writing. Such agent systems are…

Large language models (LLMs) excel at solving complex tasks by executing agentic workflows composed of detailed instructions and structured operations. Yet, building general-purpose agents by manually embedding foundation models into…

Artificial Intelligence · Computer Science 2025-08-08 Chia-Tung Ho , Jing Gong , Xufeng Yao , Yunsheng Bai , Abhishek B Akkur , Haoxing Ren

A growing body of work pursues AI scientists capable of end-to-end autonomous scientific discovery. This position paper argues that although they already function as co-scientists, agentic AI scientists are not built for autonomous…

Artificial Intelligence · Computer Science 2026-05-12 Harshit Bisht , Vinay Kumar , Kevin Maik Jablonka , Mausam , N. M. Anoop Krishnan

Skills provide an effective mechanism for improving LLM agents on complex tasks, yet in existing agent frameworks, their creation, refinement, and selection are typically governed by external teachers, hand-designed rules, or auxiliary…

Artificial Intelligence · Computer Science 2026-05-13 Min Yang , Jinghua Piao , Xu Xia , Xiaochong Lan , Jiaju Chen , Yongshun Gong , Yong Li

We introduce Agentic Reasoning, a framework that enhances large language model (LLM) reasoning by integrating external tool-using agents. Agentic Reasoning dynamically leverages web search, code execution, and structured memory to address…

Artificial Intelligence · Computer Science 2025-07-16 Junde Wu , Jiayuan Zhu , Yuyuan Liu , Min Xu , Yueming Jin