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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

Spatial transcriptomics assays are rapidly increasing in scale and complexity, making computational analysis a major bottleneck in biological discovery. Although frontier AI agents have improved dramatically at software engineering and…

Artificial Intelligence · Computer Science 2026-01-06 Kenny Workman , Zhen Yang , Harihara Muralidharan , Hannah Le

We explore the potential for productive team-based collaboration between humans and Artificial Intelligence (AI) by presenting and conducting initial tests with a general framework that enables multiple human and AI agents to work together…

Human-Computer Interaction · Computer Science 2024-12-04 Benjamin Klieger , Charis Charitsis , Miroslav Suzara , Sierra Wang , Nick Haber , John C. Mitchell

Scientific research proceeds through iterative cycles of hypothesis generation, experiment design, execution, and revision. AI agents can automate parts of this process, but existing approaches typically follow a single research trajectory…

Artificial Intelligence · Computer Science 2026-05-28 Shanghua Gao , Ada Fang , Marinka Zitnik

Scientific workflows consist of thousands of highly parallelized tasks executed in a distributed environment involving many components. Automatic tracing and investigation of the components' and tasks' performance metrics, traces, and…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-07-19 Jonathan Bader , Joel Witzke , Soeren Becker , Ansgar Lößer , Fabian Lehmann , Leon Doehler , Anh Duc Vu , Odej Kao

The efficacy of AI agents in healthcare research is hindered by their reliance on static, predefined strategies. This creates a critical limitation: agents can become better tool-users but cannot learn to become better strategic planners, a…

Artificial Intelligence · Computer Science 2025-08-08 Huiya Zhao , Yinghao Zhu , Zixiang Wang , Yasha Wang , Junyi Gao , Liantao Ma

Large-language-model (LLM)-based AI agents have recently showcased impressive versatility by employing dynamic reasoning, an adaptive, multi-step process that coordinates with external tools. This shift from static, single-turn inference to…

Machine Learning · Computer Science 2026-01-08 Jiin Kim , Byeongjun Shin , Jinha Chung , Minsoo Rhu

In this paper, we discuss the need for an integrated software stack that unites artificial intelligence (AI) and modeling and simulation (ModSim) tools to advance scientific discovery. The authors advocate for a unified AI/ModSim software…

Software Engineering · Computer Science 2024-11-15 Michael A. Heroux , Sameer Shende , Lois Curfman McInnes , Todd Gamblin , James M. Willenbring

We present the AI Cosmologist, an agentic system designed to automate cosmological/astronomical data analysis and machine learning research workflows. This implements a complete pipeline from idea generation to experimental evaluation and…

Instrumentation and Methods for Astrophysics · Physics 2025-04-07 Adam Moss

The complexity of traditional power system analysis workflows presents significant barriers to efficient decision-making in modern electric grids. This paper presents GridMind, a multi-agent AI system that integrates Large Language Models…

Artificial Intelligence · Computer Science 2025-09-03 Hongwei Jin , Kibaek Kim , Jonghwan Kwon

Foundation models (FMs) are catalyzing a transformative shift in materials science (MatSci) by enabling scalable, general-purpose, and multimodal AI systems for scientific discovery. Unlike traditional machine learning models, which are…

Machine Learning · Computer Science 2025-06-27 Minh-Hao Van , Prateek Verma , Chen Zhao , Xintao Wu

Agricultural regions in rural areas face damage from climate-related risks, including droughts, heavy rainfall, and shifting weather patterns. Prior research calls for adaptive risk-management solutions and decision-making strategies. To…

Artificial Intelligence · Computer Science 2025-12-18 Nadine Angela Cantonjos , Arpita Biswas

In the age of large language models (LLMs), autonomous agents have emerged as a powerful paradigm for achieving general intelligence. These agents dynamically leverage tools, memory, and reasoning capabilities to accomplish user-defined…

Artificial Intelligence · Computer Science 2025-08-05 Chaojia Yu , Zihan Cheng , Hanwen Cui , Yishuo Gao , Zexu Luo , Yijin Wang , Hangbin Zheng , Yong Zhao

Agents, language model-based systems capable of reasoning, planning, and acting are widely adopted in real-world tasks, yet how their performance changes as these systems scale across key dimensions remains underexplored. We introduce…

AI agentic programming is an emerging paradigm where large language model (LLM)-based coding agents autonomously plan, execute, and interact with tools such as compilers, debuggers, and version control systems. Unlike conventional code…

Software Engineering · Computer Science 2025-09-16 Huanting Wang , Jingzhi Gong , Huawei Zhang , Jie Xu , Zheng Wang

Agentic AI systems are increasingly capable of performing professional and personal tasks with limited human involvement. However, tracking these developments is difficult because the AI agent ecosystem is complex, rapidly evolving, and…

Computers and Society · Computer Science 2026-05-07 Leon Staufer , Kevin Feng , Kevin Wei , Luke Bailey , Yawen Duan , Mick Yang , A. Pinar Ozisik , Stephen Casper , Noam Kolt

We introduce the STATION, an open-world multi-agent environment for autonomous scientific discovery. The Station simulates a complete scientific ecosystem, where agents can engage in long scientific journeys that include reading papers from…

Artificial Intelligence · Computer Science 2025-12-02 Stephen Chung , Wenyu Du

Healthcare organizations are beginning to embed agentic AI into routine workflows, including clinical documentation support and early-warning monitoring. As these capabilities diffuse across departments and vendors, health systems face…

Artificial Intelligence · Computer Science 2026-05-19 Chandra Prakash , Mary Lind , Avneesh Sisodia

This article presents a modular, component-based architecture for developing and evaluating AI agents that bridge the gap between natural language interfaces and complex enterprise data warehouses. The system directly addresses core…

Artificial Intelligence · Computer Science 2025-09-30 Nooshin Bahador

Scientific workflows have become integral tools in broad scientific computing use cases. Science discovery is increasingly dependent on workflows to orchestrate large and complex scientific experiments that range from execution of a…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-04-04 Rafael Ferreira da Silva , Rosa M. Badia , Venkat Bala , Debbie Bard , Peer-Timo Bremer , Ian Buckley , Silvina Caino-Lores , Kyle Chard , Carole Goble , Shantenu Jha , Daniel S. Katz , Daniel Laney , Manish Parashar , Frederic Suter , Nick Tyler , Thomas Uram , Ilkay Altintas , Stefan Andersson , William Arndt , Juan Aznar , Jonathan Bader , Bartosz Balis , Chris Blanton , Kelly Rosa Braghetto , Aharon Brodutch , Paul Brunk , Henri Casanova , Alba Cervera Lierta , Justin Chigu , Taina Coleman , Nick Collier , Iacopo Colonnelli , Frederik Coppens , Michael Crusoe , Will Cunningham , Bruno de Paula Kinoshita , Paolo Di Tommaso , Charles Doutriaux , Matthew Downton , Wael Elwasif , Bjoern Enders , Chris Erdmann , Thomas Fahringer , Ludmilla Figueiredo , Rosa Filgueira , Martin Foltin , Anne Fouilloux , Luiz Gadelha , Andy Gallo , Artur Garcia Saez , Daniel Garijo , Roman Gerlach , Ryan Grant , Samuel Grayson , Patricia Grubel , Johan Gustafsson , Valerie Hayot-Sasson , Oscar Hernandez , Marcus Hilbrich , AnnMary Justine , Ian Laflotte , Fabian Lehmann , Andre Luckow , Jakob Luettgau , Ketan Maheshwari , Motohiko Matsuda , Doriana Medic , Pete Mendygral , Marek Michalewicz , Jorji Nonaka , Maciej Pawlik , Loic Pottier , Line Pouchard , Mathias Putz , Santosh Kumar Radha , Lavanya Ramakrishnan , Sashko Ristov , Paul Romano , Daniel Rosendo , Martin Ruefenacht , Katarzyna Rycerz , Nishant Saurabh , Volodymyr Savchenko , Martin Schulz , Christine Simpson , Raul Sirvent , Tyler Skluzacek , Stian Soiland-Reyes , Renan Souza , Sreenivas Rangan Sukumar , Ziheng Sun , Alan Sussman , Douglas Thain , Mikhail Titov , Benjamin Tovar , Aalap Tripathy , Matteo Turilli , Bartosz Tuznik , Hubertus van Dam , Aurelio Vivas , Logan Ward , Patrick Widener , Sean Wilkinson , Justyna Zawalska , Mahnoor Zulfiqar