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The automation of scientific discovery represents a critical milestone in Artificial Intelligence (AI) research. However, existing agentic systems for science suffer from two fundamental limitations: rigid, pre-programmed workflows that…

Artificial Intelligence · Computer Science 2025-10-20 Ed Li , Junyu Ren , Xintian Pan , Cat Yan , Chuanhao Li , Dirk Bergemann , Zhuoran Yang

Recent advances in large language models (LLMs) have shown impressive performance in mathematical reasoning and code generation. However, LLMs still struggle in the simulation domain, particularly in generating Simulink models, which are…

Machine Learning · Computer Science 2025-09-01 Xinxing Ren , Qianbo Zang , Zekun Guo

Computational materials science and chemistry span vast knowledge domains and fractured software ecosystems. Although large language models (LLMs) have demonstrated research capabilities, scaling monolithic agents to manage the rigor and…

Scientific progress in Earth science depends on integrating data across the planet's interconnected spheres. However, the accelerating volume and fragmentation of multi-sphere knowledge and data have surpassed human analytical capacity.…

Multimodal learning has revolutionized general domain tasks, yet its application in scientific discovery is hindered by the profound semantic gap between complex scientific imagery and sparse textual descriptions. We present S1-MMAlign, a…

Computer Vision and Pattern Recognition · Computer Science 2026-05-07 He Wang , Longteng Guo , Pengkang Huo , Xuanxu Lin , Yichen Yuan , Jie Jiang , Jing Liu

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

Formalising informal mathematical reasoning into formally verifiable code is a significant challenge for large language models. In scientific fields such as physics, domain-specific machinery (\textit{e.g.} Dirac notation, vector calculus)…

Artificial Intelligence · Computer Science 2026-04-28 Jordan Meadows , Lan Zhang , Andre Freitas

The history of science is punctuated by serendipitous discoveries, where unexpected observations, rather than targeted hypotheses, opened new fields of inquiry. While modern autonomous laboratories excel at accelerating hypothesis testing,…

Artificial Intelligence · Computer Science 2025-08-12 Lance Yao , Suman Samantray , Ayana Ghosh , Kevin Roccapriore , Libor Kovarik , Sarah Allec , Maxim Ziatdinov

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…

The rapid evolution of large language models (LLMs) is transforming artificial intelligence into autonomous research partners, yet a critical gap persists in complex scientific domains such as combustion modeling. Here, practical AI…

Machine Learning · Computer Science 2026-01-06 Ke Xiao , Haoze Zhang , Runze Mao , Han Li , Zhi X. Chen

We present the FERMIACC, a scaffolded reasoning model built on OpenAI agents designed to autonomously generate and quantitatively validate theory hypotheses for high energy physics data at scale.

High Energy Physics - Phenomenology · Physics 2026-03-25 Prateek Agrawal , Nathaniel Craig , Amalia Madden , Iñigo Valenzuela Lombera

Recent advances in agentic AI have enabled increasingly autonomous workflows, but existing systems still face substantial challenges in achieving reliable deployment in real-world scientific research. In this work, we present a safe,…

Artificial Intelligence · Computer Science 2026-04-16 Qibin Liu , Julia Gonski

Finite element (FE) analysis guides the design and verification of nearly all manufactured objects. It is at the core of computational engineering, enabling simulation of complex physical systems, from fluids and solids to multiphysics…

Computational Engineering, Finance, and Science · Computer Science 2026-04-15 Rushikesh Deotale , Adithya Srinivasan , Yuan Tian , Tianyi Zhang , Pavlos Vlachos , Hector Gomez

AI agents powered by large language models exhibit strong reasoning and problem-solving capabilities, enabling them to assist scientific research tasks such as formula derivation and code generation. However, whether these agents can…

The literature has witnessed an emerging interest in AI agents for automated assessment of scientific papers. Existing benchmarks focus primarily on the computational aspect of this task, testing agents' ability to reproduce or replicate…

As cosmological simulations and their associated software become increasingly complex, physicists face the challenge of searching through vast amounts of literature and user manuals to extract simulation parameters from dense academic…

Instrumentation and Methods for Astrophysics · Physics 2025-07-21 Xiaowen Zhang , Zhenyu Bi , Patrick Lachance , Xuan Wang , Tiziana Di Matteo , Rupert A. C. Croft

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

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

Large language models (LLMs) are increasingly used as simulated participants in social science experiments, but their behavior is often unstable and highly sensitive to design choices. Prior evaluations frequently conflate base-model…

Artificial Intelligence · Computer Science 2026-02-03 Xuan Liu , Haoyang Shang , Zizhang Liu , Xinyan Liu , Yunze Xiao , Yiwen Tu , Haojian Jin

AI agents hold the potential to revolutionize scientific productivity by automating literature reviews, replicating experiments, analyzing data, and even proposing new directions of inquiry; indeed, there are now many such agents, ranging…

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