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Metal-organic frameworks (MOFs) offer a vast design space, and as such, computational simulations play a critical role in predicting their structural and physicochemical properties. However, MOF simulations remain difficult to access…

Artificial Intelligence · Computer Science 2026-04-01 Jaewoong Lee , Taeun Bae , Jihan Kim

Agentic systems, in which diverse agents cooperate to tackle challenging problems, are exploding in popularity in the AI community. However, existing agentic frameworks take a relatively narrow view of agents, apply a centralized model, and…

Multiagent Systems · Computer Science 2026-01-30 Alok Kamatar , J. Gregory Pauloski , Yadu Babuji , Ryan Chard , Mansi Sakarvadia , Daniel Babnigg , Kyle Chard , Ian Foster

In scientific research, analysis requires accurately interpreting complex multimodal knowledge, integrating evidence from different sources, and drawing inferences grounded in domain-specific knowledge. However, current artificial…

Computation and Language · Computer Science 2026-02-13 Xuehang Guo , Zhiyong Lu , Tom Hope , Qingyun Wang

Our paper introduces a generative, multiagent AI framework designed to overcome the rigidity, limited flexibility and technical barriers of current bibliometric tools. The objective is to enable researchers to perform fully dynamic,…

Digital Libraries · Computer Science 2026-04-29 Adela Bara , Simona-Vasilica Oprea

Understanding scientific papers requires more than answering isolated questions or summarizing content. It involves an integrated reasoning process that grounds textual and visual information, interprets experimental evidence, synthesizes…

Information Retrieval · Computer Science 2026-04-29 Yanjun Zhao , Tianxin Wei , Jiaru Zou , Xuying Ning , Yuanchen Bei , Lingjie Chen , Simmi Rana , Wendy H. Yang , Hanghang Tong , Jingrui He

Multiphysics phenomena, the coupling effects involving different aspects of physics laws, are pervasive in the real world and can often be encountered when performing everyday household tasks. Intelligent agents which seek to assist or…

Robotics · Computer Science 2023-05-16 Haoyuan Fu , Wenqiang Xu , Ruolin Ye , Han Xue , Zhenjun Yu , Tutian Tang , Yutong Li , Wenxin Du , Jieyi Zhang , Cewu Lu

Literature on the modeling and simulation of complex adaptive systems (cas) has primarily advanced vertically in different scientific domains with scientists developing a variety of domain-specific approaches and applications. However,…

Multiagent Systems · Computer Science 2017-08-09 Muaz A. Niazi

Adapting production-level computer vision tools to bespoke scientific datasets is a critical "last mile" bottleneck. Current solutions are impractical: fine-tuning requires large annotated datasets scientists often lack, while manual code…

Computer Vision and Pattern Recognition · Computer Science 2025-12-09 Xuefei , Wang , Kai A. Horstmann , Ethan Lin , Jonathan Chen , Alexander R. Farhang , Sophia Stiles , Atharva Sehgal , Jonathan Light , David Van Valen , Yisong Yue , Jennifer J. Sun

We introduce MerLean, a fully automated agentic framework for autoformalization in quantum computation. MerLean extracts mathematical statements from \LaTeX{} source files, formalizes them into verified Lean~4 code built on Mathlib, and…

Logic in Computer Science · Computer Science 2026-02-19 Yuanjie Ren , Jinzheng Li , Yidi Qi

Progress in modern physics has been supported by a steadily expanding corpus of numerical analyses and computational frameworks, which in turn form the basis for precision calculations and baseline predictions in experimental programs.…

High Energy Physics - Phenomenology · Physics 2025-10-06 S. D. Bakshi , P. Barry , C. Bissolotti , I. Cloet , S. Corrodi , Z. Djurcic , S. Habib , K. Heitmann , T. J. Hobbs , W. Hopkins , S. Joosten , B. Kriesten , N. Ramachandra , A. Wells , M. Zurek

We introduce REAL, a benchmark and framework for multi-turn agent evaluations on deterministic simulations of real-world websites. REAL comprises high-fidelity, deterministic replicas of 11 widely-used websites across domains such as…

Computational physics increasingly depends on large simulation datasets generated by software that remains under active development for many years. In such settings, reproducibility requires not only well documented data but also explicit…

Computational Physics · Physics 2026-04-30 Markus Uehlein , Tobias Held , Christopher Seibel , Lukas G. Jonda , Baerbel Rethfeld , Sebastian T. Weber

Process mining provides powerful insights into organizational workflows, but extracting these insights typically requires expertise in specialized query languages and data science tools. Large Language Models (LLMs) offer the potential to…

Artificial Intelligence · Computer Science 2026-03-17 Anton Antonov , Humam Kourani , Alessandro Berti , Gyunam Park , Wil M. P. van der Aalst

As embodied intelligence emerges as a core frontier in artificial intelligence research, simulation platforms must evolve beyond low-level physical interactions to capture complex, human-centered social behaviors. We introduce FreeAskWorld,…

Artificial Intelligence · Computer Science 2025-12-23 Yuhang Peng , Yizhou Pan , Xinning He , Jihaoyu Yang , Xinyu Yin , Han Wang , Xiaoji Zheng , Chao Gao , Jiangtao Gong

Creating high-quality figures and visualizations for scientific papers is a time-consuming task that requires both deep domain knowledge and professional design skills. Despite over 2.5 million scientific papers published annually, the…

Artificial Intelligence · Computer Science 2026-01-09 Siyuan Huang , Yutong Gao , Juyang Bai , Yifan Zhou , Zi Yin , Xinxin Liu , Rama Chellappa , Chun Pong Lau , Sayan Nag , Cheng Peng , Shraman Pramanick

As Large Language Models (LLMs) become ubiquitous across various scientific domains, their lack of ability to perform complex tasks like running simulations or to make complex decisions limits their utility. LLM-based agents bridge this gap…

Computation and Language · Computer Science 2026-01-21 Anurag Acharya , Timothy Vega , Rizwan A. Ashraf , Anshu Sharma , Derek Parker , Robert Rallo

Large Language Model (LLM) agents have shown great potential in addressing real-world data science problems. LLM-driven data science agents promise to automate the entire machine learning pipeline, yet their real-world effectiveness remains…

Computation and Language · Computer Science 2025-10-09 Yixin Ou , Yujie Luo , Jingsheng Zheng , Lanning Wei , Zhuoyun Yu , Shuofei Qiao , Jintian Zhang , Da Zheng , Yuren Mao , Yunjun Gao , Huajun Chen , Ningyu Zhang

We present a multi-agent system for automation of scientific research tasks, cmbagent (https://github.com/CMBAgents/cmbagent). The system is formed by about 30 Large Language Model (LLM) agents and implements a Planning & Control strategy…

Autonomous materials research systems allow scientists to fail smarter, learn faster, and spend less resources in their studies. As these systems grow in number, capability, and complexity, a new challenge arises - how will they work…

Multiagent Systems · Computer Science 2023-03-21 A. Gilad Kusne , Austin McDannald

Despite the remarkable progress of large language models (LLMs), the capabilities of standalone LLMs have begun to plateau when tackling real-world, complex tasks that require interaction with external tools and dynamic environments.…