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This paper presents a Spark-based modular LangGraph framework, designed to enhance machine learning workflows through scalability, visualization, and intelligent process optimization. At its core, the framework introduces Agent AI, a…

Artificial Intelligence · Computer Science 2024-12-09 Jialin Wang , Zhihua Duan

Artificial Intelligence (AI) agents have rapidly evolved from specialized, rule-based programs to versatile, learning-driven autonomous systems capable of perception, reasoning, and action in complex environments. The explosion of data,…

Artificial intelligence (AI) models trained on published scientific findings have been used to invent valuable materials and targeted therapies, but they typically ignore the human scientists who continually alter the landscape of…

Artificial Intelligence · Computer Science 2023-06-05 Jamshid Sourati , James Evans

Large Language Model (LLM)-based multi-agent systems (MAS) demonstrate remarkable potential for scientific discovery. Existing approaches, however, often automate scientific discovery using predefined workflows that lack rationality…

Machine Learning · Computer Science 2026-02-10 Yingming Pu , Tao Lin , Hongyu Chen

Reinforcement learning has empowered large language models to act as intelligent agents, yet training them for long-horizon tasks remains challenging due to the scarcity of high-quality trajectories, especially under limited resources.…

Machine Learning · Computer Science 2026-01-29 Jinyang Wu , Shuo Yang , Changpeng Yang , Yuhao Shen , Shuai Zhang , Zhengqi Wen , Jianhua Tao

Scientific discovery is poised for rapid advancement through advanced robotics and artificial intelligence. Current scientific practices face substantial limitations as manual experimentation remains time-consuming and resource-intensive,…

Computation and Language · Computer Science 2025-04-04 Pengsong Zhang , Heng Zhang , Huazhe Xu , Renjun Xu , Zhenting Wang , Cong Wang , Animesh Garg , Zhibin Li , Arash Ajoudani , Xinyu Liu

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

Data-driven artificial intelligence models fed with published scientific findings have been used to create powerful prediction engines for scientific and technological advance, such as the discovery of novel materials with desired…

Artificial Intelligence · Computer Science 2021-04-13 Jamshid Sourati , James Evans

Large-scale language models are rapidly improving, performing well on a wide variety of tasks with little to no customization. In this work we investigate how language models can support science writing, a challenging writing task that is…

Human-Computer Interaction · Computer Science 2021-10-18 Katy Ilonka Gero , Vivian Liu , Lydia B. Chilton

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

Scientific discovery concerns finding patterns in data and creating insightful hypotheses that explain these patterns. Traditionally, this process required human ingenuity, but with the galloping advances in artificial intelligence (AI) it…

Artificial Intelligence · Computer Science 2022-11-01 Julian Skirzynski , Yash Raj Jain , Falk Lieder

While AI innovation accelerates rapidly, the intellectual process behind breakthroughs -- how researchers identify gaps, synthesize prior work, and generate insights -- remains poorly understood. The lack of structured data on scientific…

Artificial Intelligence · Computer Science 2026-01-09 Jiachen Liu , Maestro Harmon , Zechen Zhang

Artificial Intelligence (AI) increasingly shows its potential to outperform predicate logic algorithms and human control alike. In automatically deriving a system model, AI algorithms learn relations in data that are not detectable for…

Artificial Intelligence · Computer Science 2022-10-12 Simon Daniel Duque Anton , Daniel Schneider , Hans Dieter Schotten

Protein scientific discovery is bottlenecked by the manual orchestration of information and algorithms, while general agents are insufficient in complex domain projects. VenusFactory2 provides an autonomous framework that shifts from static…

Artificial Intelligence · Computer Science 2026-03-31 Yang Tan , Lingrong Zhang , Mingchen Li , Yuanxi Yu , Bozitao Zhong , Bingxin Zhou , Nanqing Dong , Liang Hong

The dream of building machines that can do science has inspired scientists for decades. Remarkable advances have been made recently; however, we are still far from achieving this goal. In this paper, we focus on the scientific discovery…

Artificial Intelligence · Computer Science 2022-03-15 Abdullah Khalili , Abdelhamid Bouchachia

AI systems are becoming active participants in organizational and knowledge work. They increasingly interact with humans, coordinate workflows, and operate in multi-agent arrangements. Understanding their effects therefore requires more…

Artificial Intelligence · Computer Science 2026-05-19 Yingjie Zhang , Chun Feng , Weizhang Zhu , Tianshu Sun

We propose a technology-agnostic, collaboration-ready stance for Human-AI Agents Collaboration Systems (HAACS) that closes long-standing gaps in prior stages (automation; flexible autonomy; agentic multi-agent collectives). Reading…

Artificial Intelligence · Computer Science 2025-10-10 Ju Wu , Calvin K. L. Or

Humans are remarkably adept at collaboration, able to infer the strengths and weaknesses of new partners in order to work successfully towards shared goals. To build AI systems with this capability, we must first understand its building…

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

Scientific discovery is a complex cognitive process that has driven human knowledge and technological progress for centuries. While artificial intelligence (AI) has made significant advances in automating aspects of scientific reasoning,…

Machine Learning · Computer Science 2024-12-24 Chandan K Reddy , Parshin Shojaee