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Scientific research increasingly relies on specialized computational tools, yet effectively utilizing these tools demands substantial domain expertise. While Large Language Models (LLMs) show promise in tool automation, they struggle to…

Artificial Intelligence · Computer Science 2025-07-29 Keyan Ding , Jing Yu , Junjie Huang , Yuchen Yang , Qiang Zhang , Huajun Chen

Autonomous science agents built on large language models (LLMs) are increasingly used to generate hypotheses, design experiments, and produce reports. However, prior work mainly targets open-ended scientific problems with subjective outputs…

Computation and Language · Computer Science 2026-03-24 Tianshu Zhang , Huan Sun

Data science and engineering workflows often span multiple stages, from warehousing to orchestration, using tools like BigQuery, dbt, and Airbyte. As vision language models (VLMs) advance in multimodal understanding and code generation,…

Scientific discovery is often slowed by the manual development of computational tools needed to analyze complex experimental data. Building such tools is costly and time-consuming because scientists must iteratively review literature, test…

Artificial Intelligence · Computer Science 2026-05-19 Alistair Turcan , Kexin Huang , Lei Li , Martin Jinye Zhang

Training AI models has always been challenging, especially when there is a need for custom models to provide personalized services. Algorithm engineers often face a lengthy process to iteratively develop models tailored to specific business…

Artificial Intelligence · Computer Science 2023-11-27 Haoyuan Li , Hao Jiang , Tianke Zhang , Zhelun Yu , Aoxiong Yin , Hao Cheng , Siming Fu , Yuhao Zhang , Wanggui He

Artificial Intelligence is moving from models that only generate text to Agentic AI, where systems behave as autonomous entities that can perceive, reason, plan, and act. Large Language Models (LLMs) are no longer used only as passive…

Artificial Intelligence · Computer Science 2026-01-21 Arunkumar V , Gangadharan G. R. , Rajkumar Buyya

As modern science becomes increasingly data-intensive, the ability to analyze and visualize large-scale, complex datasets is critical to accelerating discovery. However, many domain scientists lack the programming expertise required to…

Software Engineering · Computer Science 2025-12-01 Apu Kumar Chakroborti , Yi Ding , Lipeng Wan

Parameter identification for mechanistic Ordinary Differential Equation (ODE) models underpins prediction and control in several applications, yet remains a manual and labor-intensive process: datasets are noisy and partial, models can be…

Computational Engineering, Finance, and Science · Computer Science 2025-09-16 Saakaar Bhatnagar

Modern engineering increasingly relies on vast datasets generated by experiments and simulations, driving a growing demand for efficient, reliable, and broadly applicable modeling strategies. There is also heightened interest in developing…

Artificial Intelligence · Computer Science 2025-10-03 Yang Liu , Zaid Abulawi , Abhiram Garimidi , Doyeong Lim

The emergence of Agentic AI is fundamentally transforming how software is designed, developed, and maintained. Traditional software development methodologies such as Agile, Kanban, ShapeUp, etc, were originally designed for human-centric…

This paper introduces a methodology based on agentic workflows for economic research that leverages Large Language Models (LLMs) and multimodal AI to enhance research efficiency and reproducibility. Our approach features autonomous and…

General Economics · Economics 2025-04-15 Herbert Dawid , Philipp Harting , Hankui Wang , Zhongli Wang , Jiachen Yi

The convergence of artificial intelligence and materials science presents a transformative opportunity, but achieving true acceleration in discovery requires moving beyond task-isolated, fine-tuned models toward agentic systems that plan,…

We introduce QiboAgent, a reference implementation designed to serve as a practitioner's guideline for developing specialized coding assistants in Quantum Computing middleware. Addressing the limitations in scientific software development…

Quantum Physics · Physics 2026-03-17 Lorenzo Esposito , Andrea Papaluca , Stefano Carrazza

We introduce a multicrossmodal LLM-agent framework motivated by the growing volume and diversity of materials-science data ranging from high-resolution microscopy and dynamic simulation videos to tabular experiment logs and sprawling…

Materials Science · Physics 2025-05-22 Adib Bazgir , Rama chandra Praneeth Madugula , Yuwen Zhang

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

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

Generative Agentic AI systems are emerging as a powerful paradigm for automating complex, multi-step tasks. However, many existing frameworks for building these systems introduce significant complexity, a steep learning curve, and…

Artificial Intelligence · Computer Science 2025-11-13 Deven Panchal

Constructing behavioral-level chiplet models (e.g., SystemC) is crucial for early-stage heterogeneous architecture exploration. Traditional manual modeling is notoriously time-consuming and error-prone. Recently, Large Language Models…

Hardware Architecture · Computer Science 2026-03-24 Yiwei Wu , Yifan Wu , Yunhao Xiong , Dengwei Zhao , Jiaxuan Shen , Jianfei Jiang , Guanghui He , Shikui Tu , Yanan Sun

Large Language Model (LLM) Agents have demonstrated remarkable capabilities in task automation and intelligent decision-making, driving the widespread adoption of agent development frameworks such as LangChain and AutoGen. However, these…

Artificial Intelligence · Computer Science 2025-10-10 Jiabin Tang , Tianyu Fan , Chao Huang

The advancements of large language models (LLMs) have piqued growing interest in developing LLM-based language agents to automate scientific discovery end-to-end, which has sparked both excitement and skepticism about their true…