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Materials discovery relies on high-throughput, high-fidelity simulation techniques such as Density Functional Theory (DFT), which require years of training, extensive parameter fine-tuning and systematic error handling. To address these…

Artificial Intelligence · Computer Science 2025-07-22 Ziqi Wang , Hongshuo Huang , Hancheng Zhao , Changwen Xu , Shang Zhu , Jan Janssen , Venkatasubramanian Viswanathan

This paper introduces a novel Large Language Models (LLMs)-assisted agent that automatically converts natural-language descriptions of power system optimization scenarios into compact, solver-ready formulations and generates corresponding…

Artificial Intelligence · Computer Science 2025-08-12 Yunkai Hu , Tianqiao Zhao , Meng Yue

Software issue resolution aims to address real-world issues in software repositories (e.g., bug fixing and efficiency optimization) based on natural language descriptions provided by users, representing a key aspect of software maintenance.…

Software Engineering · Computer Science 2025-12-30 Zhonghao Jiang , David Lo , Zhongxin Liu

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

This paper investigates the effectiveness of small language models (SLMs) for agentic tasks (function/tool/API calling) with a focus on running agents on edge devices without reliance on cloud infrastructure. We evaluate SLMs using the…

Machine Learning · Computer Science 2025-12-01 Mohd Ariful Haque , Fahad Rahman , Kishor Datta Gupta , Khalil Shujaee , Roy George

The finite element simulation of dynamic wetting phenomena, requiring the computation of flow in a domain confined by intersecting a liquid-fluid free surface and a liquid-solid interface, with the three-phase contact line moving across the…

Computational Physics · Physics 2012-02-20 J. E. Sprittles , Y. D. Shikhmurzaev

Multi-agent Large Language Model (LLM) systems have been leading the way in applied LLM research across a number of fields. One notable area is software development, where researchers have advanced the automation of code implementation,…

Software Engineering · Computer Science 2025-11-25 Vali Tawosi , Keshav Ramani , Salwa Alamir , Xiaomo Liu

Automated feature engineering plays a critical role in improving predictive model performance for tabular learning tasks. Traditional automated feature engineering methods are limited by their reliance on pre-defined transformations within…

Machine Learning · Computer Science 2026-05-12 Nikhil Abhyankar , Parshin Shojaee , Chandan K. Reddy

Large Language Models (LLMs) have demonstrated effectiveness in code generation tasks. To enable LLMs to address more complex coding challenges, existing research has focused on crafting multi-agent systems with agentic workflows, where…

Software Engineering · Computer Science 2026-04-15 Siwei Liu , Jinyuan Fang , Han Zhou , Yingxu Wang , Zaiqiao Meng

Large Language Models (LLMs) have demonstrated strong performance across general NLP tasks, but their utility in automating numerical experiments of complex physical system -- a critical and labor-intensive component -- remains…

Computation and Language · Computer Science 2026-04-28 Nithin Somasekharan , Ling Yue , Yadi Cao , Weichao Li , Patrick Emami , Pochinapeddi Sai Bhargav , Anurag Acharya , Xingyu Xie , Shaowu Pan

Recent advances in large language models (LLMs) and multi-agent systems have demonstrated remarkable capabilities in complex problem-solving tasks such as deep research, vibe coding, and mathematical reasoning. However, most existing…

Large Language Models (LLMs) have recently empowered agentic frameworks to exhibit advanced reasoning and planning capabilities. However, their integration in robotic control pipelines remains limited in two aspects: (1) prior…

Despite the transformative potential of Large Language Models (LLMs) in hardware design, a comprehensive evaluation of their capabilities in design verification remains underexplored. Current efforts predominantly focus on RTL generation…

This year marks the eightieth anniversary of the invention of the finite element method (FEM). FEM has become the computational workhorse for engineering design analysis and scientific modeling of a wide range of physical processes,…

Numerical Analysis · Mathematics 2021-07-13 Wing Kam Liu , Shaofan Li , Harold Park

Flow physics and more broadly physical phenomena governed by partial differential equations (PDEs), are inherently continuous, high-dimensional and often chaotic in nature. Traditionally, researchers have explored these rich spatiotemporal…

As Large Language Models shift the programming toward human-guided ''vibe coding'', agentic coding tools increasingly rely on models to self-diagnose and repair their own subtle faults -- a capability central to autonomous software…

Software Engineering · Computer Science 2026-03-18 Srijan Bansal , Jiao Fangkai , Yilun Zhou , Austin Xu , Shafiq Joty , Semih Yavuz

Large Language Models (LLMs), particularly Code LLMs, have demonstrated impressive performance in code generation. Current research primarily focuses on the correctness of generated code, while efficiency remains less explored. Recent works…

Software Engineering · Computer Science 2025-02-27 Tong Ye , Weigang Huang , Xuhong Zhang , Tengfei Ma , Peiyu Liu , Jianwei Yin , Wenhai Wang

We present an efficient B-spline finite element method (FEM) for cloth simulation. While higher-order FEM has long promised higher accuracy, its adoption in cloth simulators has been limited by its larger computational costs while…

Graphics · Computer Science 2026-05-05 Yuqi Meng , Yihao Shi , Kemeng Huang , Zixuan Lu , Ning Guo , Taku Komura , Yin Yang , Minchen Li

Multimodal large language models (MLLMs) have shown strong capabilities but remain limited to fixed modality pairs and require costly fine-tuning with large aligned datasets. Building fully omni-capable models that can integrate text,…

Artificial Intelligence · Computer Science 2025-11-06 Huawei Lin , Yunzhi Shi , Tong Geng , Weijie Zhao , Wei Wang , Ravender Pal Singh

This manuscript presents the Quantum Finite Element Method (Q-FEM) developed for use in noisy intermediate-scale quantum (NISQ) computers and employs the variational quantum linear solver (VQLS) algorithm. The proposed method leverages the…

Quantum Physics · Physics 2025-04-01 Abhishek Arora , Benjamin M. Ward , Caglar Oskay