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We present an autonomous large language model (LLM) agent for end-to-end, data-driven materials theory development. The model can choose an equation form, generate and run its own code, and test how well the theory matches the data without…

Artificial Intelligence · Computer Science 2026-04-23 Samuel Onimpa Alfred , Veera Sundararaghavan

Large language models (LLMs) have emerged as powerful tools in chemistry, significantly impacting molecule design, property prediction, and synthesis optimization. This review highlights LLM capabilities in these domains and their potential…

Machine Learning · Computer Science 2024-11-18 Mayk Caldas Ramos , Christopher J. Collison , Andrew D. White

Smart aquaculture systems depend on rich environmental data streams to protect fish welfare, optimize feeding, and reduce energy use. Yet public datasets that describe the air surrounding indoor tanks remain scarce, limiting the development…

Machine Learning · Computer Science 2025-09-30 Youssef Sabiri , Walid Houmaidi , Ouail El Maadi , Yousra Chtouki

The use of Large Language Models (LLMs) in climate science has recently gained significant attention. However, a critical issue remains: the lack of a comprehensive evaluation framework capable of assessing the quality and scientific…

Agentic workflows in large language model systems integrate retrieval, reasoning, and memory, but existing frameworks suffer from scalability and reproducibility limitations due to fragmented data orchestration, serialization overhead, and…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-05-05 Arup Kumar Sarker , Mills Staylor , Aymen Alsaadi , Gregor von Laszewski , Shantenu Jha , Geoffrey Fox

Autonomous web-based geographical information systems (AWebGIS) aim to perform geospatial operations from natural language input, providing intuitive, intelligent, and hands-free interaction. However, most current solutions rely on…

Large language models (LLM) exhibit broad utility but face limitations in quantum sensor development, stemming from interdisciplinary knowledge barriers and involving complex optimization processes. Here we present QCopilot, an LLM-based…

Automated machine learning (AutoML) accelerates AI development by automating tasks in the development pipeline, such as optimal model search and hyperparameter tuning. Existing AutoML systems often require technical expertise to set up…

Machine Learning · Computer Science 2025-06-09 Patara Trirat , Wonyong Jeong , Sung Ju Hwang

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.…

Autonomous data science, from raw data sources to analyst-grade deep research reports, has been a long-standing challenge, and is now becoming feasible with the emergence of powerful large language models (LLMs). Recent workflow-based data…

Artificial Intelligence · Computer Science 2025-10-21 Shaolei Zhang , Ju Fan , Meihao Fan , Guoliang Li , Xiaoyong Du

Recent large language models (LLMs) are promising for making decisions in grounded environments. However, LLMs frequently fail in complex decision-making tasks due to the misalignment between the pre-trained knowledge in LLMs and the actual…

Computation and Language · Computer Science 2023-10-27 Siqi Ouyang , Lei Li

Logistics operators, from battlefield coordinators re-routing airlifts ahead of a storm to warehouse managers juggling late trucks, need to make mission-critical decisions. Prevailing methods for logistics planning such as integer…

Artificial Intelligence · Computer Science 2026-02-02 Yunhao Yang , Neel P. Bhatt , Christian Ellis , Samuel Li , Alvaro Velasquez , Zhangyang Wang , Ufuk Topcu

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

Practitioners are increasingly turning to Extract-Load-Transform (ELT) pipelines with the widespread adoption of cloud data warehouses. However, designing these pipelines often involves significant manual work to ensure correctness. Recent…

Databases · Computer Science 2025-04-16 Tengjun Jin , Yuxuan Zhu , Daniel Kang

We present GeoFlow, a method that automatically generates agentic workflows for geospatial tasks. Unlike prior work that focuses on reasoning decomposition and leaves API selection implicit, our method provides each agent with detailed…

Traditional agentic workflows rely on external prompts to manage interactions with tools and the environment, which limits the autonomy of reasoning models. We position \emph{Large Agent Models (LAMs)} that internalize the generation of…

Artificial Intelligence · Computer Science 2025-03-11 Yuxiang Zhang , Yuqi Yang , Jiangming Shu , Xinyan Wen , Jitao Sang

Solving complex real-world tasks requires cycles of actions and observations. This is particularly true in science, where tasks require many cycles of analysis, tool use, and experimentation. Language agents are promising for automating…

Noisy Intermediate-Scale Quantum (NISQ) devices have begun to exhibit early quantum advantages on classically intractable problems, spanning physics simulations to Gaussian boson sampling. Yet, realizing these benefits remains challenging…

Artificial Intelligence · Computer Science 2025-08-29 Zhenxiao Fu , Fan Chen , Lei Jiang

An ideal vision-language agent serves as a bridge between the human users and their surrounding physical world in real-world applications like autonomous driving and embodied agents, and proactively provides accurate and timely responses…

Computer Vision and Pattern Recognition · Computer Science 2025-06-24 Gengyuan Zhang , Tanveer Hannan , Hermine Kleiner , Beste Aydemir , Xinyu Xie , Jian Lan , Thomas Seidl , Volker Tresp , Jindong Gu

Small unmanned aircraft systems (sUAS) are becoming prominent components of many humanitarian assistance and disaster response (HADR) operations. Pairing sUAS with onboard artificial intelligence (AI) substantially extends their utility in…

Computer Vision and Pattern Recognition · Computer Science 2022-01-26 Daniel Davila , Joseph VanPelt , Alexander Lynch , Adam Romlein , Peter Webley , Matthew S. Brown