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We present a solver-agnostic framework in which coordinated large language model (LLM) agents autonomously execute the complete computational mechanics workflow, from perceptual data of an engineering component through geometry extraction,…

计算工程、金融与科学 · 计算机科学 2026-04-14 Daniel N. Wilke

This paper presents a large language model (LLM) agent named AgentCAT, which extracts and analyzes catalytic reaction data from chemical engineering papers, %and supports natural language based interactive analysis of the extracted data.…

化学物理 · 物理学 2026-02-24 Wei Yang , Zihao Liu , Tao Tan , Xiao Hu , Hong Xie , Lulu Li Xin Li , Jianyu Han , Defu Lian , Mao Ye

Machine learning-based interatomic potentials and force fields depend critically on accurate atomic structures, yet such data are scarce due to the limited availability of experimentally resolved crystals. Although atomic-resolution…

Agentic AI systems integrating large language models (LLMs) with reasoning and tooluse capabilities are transforming various domains - in particular, software development. In contrast, their application in chemical process flowsheet…

人工智能 · 计算机科学 2026-03-16 Pascal Schäfer , Lukas J. Krinke , Martin Wlotzka , Norbert Asprion

Sequential recommender systems (SRS) have gained increasing popularity due to their remarkable proficiency in capturing dynamic user preferences. In the current setup of SRS, a common configuration is to uniformly consider each historical…

信息检索 · 计算机科学 2025-06-03 Hao Zhang , Mingyue Cheng , Zhiding Liu , Junzhe Jiang

The transition from monolithic large language models (LLMs) to modular, skill-equipped agents represents a fundamental architectural shift in artificial intelligence deployment. While general-purpose models demonstrate remarkable breadth in…

人工智能 · 计算机科学 2026-03-18 Shuzhen Bi , Mengsong Wu , Hao Hao , Keqian Li , Wentao Liu , Siyu Song , Hongbo Zhao , Aimin Zhou

Using LLMs (Large Language Models) in conjunction with external documents has made RAG (Retrieval-Augmented Generation) an essential technology. Numerous techniques and modules for RAG are being researched, but their performance can vary…

计算与语言 · 计算机科学 2024-10-29 Dongkyu Kim , Byoungwook Kim , Donggeon Han , Matouš Eibich

Large language models (LLMs) are increasingly deployed as agents, expected to decompose goals, invoke tools, and verify results in dynamic environments. Realizing these capabilities requires access to agentic data-structured interaction…

人工智能 · 计算机科学 2025-10-22 Abhigya Verma , Seganrasan Subramanian , Nandhakumar Kandasamy , Naman Gupta

Recent advancements in Large Language Models (LLMs) have shown significant progress in understanding complex natural language. One important application of LLM is LLM-based AI Agent, which leverages the ability of LLM as well as external…

计算与语言 · 计算机科学 2024-07-19 Zelong Li , Shuyuan Xu , Kai Mei , Wenyue Hua , Balaji Rama , Om Raheja , Hao Wang , He Zhu , Yongfeng Zhang

Large Language Models (LLMs) have emerged as powerful tools for accelerating scientific discovery, yet their static knowledge and hallucination issues hinder autonomous research applications. Recent advances integrate LLMs into agentic…

Finite element (FE) analysis guides the design and verification of nearly all manufactured objects. It is at the core of computational engineering, enabling simulation of complex physical systems, from fluids and solids to multiphysics…

计算工程、金融与科学 · 计算机科学 2026-04-15 Rushikesh Deotale , Adithya Srinivasan , Yuan Tian , Tianyi Zhang , Pavlos Vlachos , Hector Gomez

Computer-Aided Design (CAD) models are defined by their construction history: a parametric recipe that encodes design intent. However, existing large-scale 3D datasets predominantly consist of boundary representations (B-Reps) or meshes,…

计算机视觉与模式识别 · 计算机科学 2026-04-28 Mohammadmehdi Ataei , Farzaneh Askari , Kamal Rahimi Malekshan , Pradeep Kumar Jayaraman

Extracting alphanumeric data from form-like documents such as invoices, purchase orders, bills, and financial documents is often performed via vision (OCR) and learning algorithms or monolithic pipelines with limited potential for systemic…

信息检索 · 计算机科学 2025-05-21 Ayesha Amjad , Saurav Sthapit , Tahir Qasim Syed

Parameter extraction for industry-standard device models like ASM-HEMT is crucial in circuit design workflows. However, many manufacturers do not provide such models, leaving users to build them using only datasheets. Unfortunately,…

硬件体系结构 · 计算机科学 2025-07-30 Yuang Peng , Jiarui Zhong , Yang Zhang , Hong Cai Chen

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…

机器学习 · 计算机科学 2025-06-09 Patara Trirat , Wonyong Jeong , Sung Ju Hwang

Large Language Models (LLMs) have advanced artificial intelligence by enabling human-like text generation and natural language understanding. However, their reliance on static training data limits their ability to respond to dynamic,…

人工智能 · 计算机科学 2026-04-02 Aditi Singh , Abul Ehtesham , Saket Kumar , Tala Talaei Khoei , Athanasios V. Vasilakos

Knowing the precise format of a program's input is a necessary prerequisite for systematic testing. Given a program and a small set of sample inputs, we (1) track the data flow of inputs to aggregate input fragments that share the same data…

编程语言 · 计算机科学 2017-08-30 Matthias Höschele , Alexander Kampmann , Andreas Zeller

The advancement of data-driven materials science is currently constrained by a fundamental bottleneck: the vast majority of historical experimental data remains locked within the unstructured text and rasterized figures of legacy scientific…

数据库 · 计算机科学 2026-02-04 Yue Wu , Tianhao Su , Shunbo Hu , Deng Pan

Structural drawings are widely used in many fields, e.g., mechanical engineering, civil engineering, etc. In civil engineering, structural drawings serve as the main communication tool between architects, engineers, and builders to avoid…

Training trustworthy agentic LLMs requires data that shows the grounded reasoning process, not just the final answer. Existing datasets fall short: question-answering data is outcome-only, chain-of-thought data is not tied to specific…

信息检索 · 计算机科学 2026-04-30 Saber Zerhoudi , Michael Granitzer , Jelena Mitrovic
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