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The design of alloys is a multi-scale problem that requires a holistic approach that involves retrieving relevant knowledge, applying advanced computational methods, conducting experimental validations, and analyzing the results, a process…

Artificial Intelligence · Computer Science 2024-07-16 Alireza Ghafarollahi , Markus J. Buehler

Large language models (LLMs) are widely used for tutoring, feedback generation, and content creation, but their broad pretraining makes them hard to constrain and poor substitutes for controllable learners. Educational systems often require…

Computation and Language · Computer Science 2026-05-11 Hyeongdon Moon , Carolyn Rosé , John Stamper

Large language models (LLMs) are increasingly utilized as proxies for computational social analysis; yet, their ability to faithfully represent the "thick descriptions" (Geertz, 1973) of human communities remains a critical challenge.…

Computation and Language · Computer Science 2026-05-28 Nuan Wen , Xuezhe Ma

Large Language Model (LLM)-based agents are increasingly adopted in high-stakes settings, but current benchmarks evaluate mainly whether a task was completed, not how. We introduce Procedure-Aware Evaluation (PAE), a framework that…

Artificial Intelligence · Computer Science 2026-03-04 Hongliu Cao , Ilias Driouich , Eoin Thomas

Language agents powered by large language models (LLMs) have demonstrated remarkable capabilities in understanding, reasoning, and executing complex tasks. However, developing robust agents presents significant challenges: substantial…

Computation and Language · Computer Science 2025-06-02 Qianqian Zhang , Jiajia Liao , Heting Ying , Yibo Ma , Haozhan Shen , Jingcheng Li , Peng Liu , Lu Zhang , Chunxin Fang , Kyusong Lee , Ruochen Xu , Tiancheng Zhao

To accelerate mechanical design and enhance design quality and innovation, we present a Multidisciplinary Design and Optimization (MDO) Agent driven by Large Language Models (LLMs). The agent semi-automates the end-to-end workflow by…

Human-Computer Interaction · Computer Science 2025-11-25 Bingkun Guo , Wentian Li , Xiaojian Liu , Jiaqi Luo , Zibin Yu , Dalong Dong , Shuyou Zhang , Yiming Zhang

Large language models (LLMs) can generate syntactically valid optimization programs, yet often struggle to reliably choose an effective modeling strategy, leading to incorrect formulations and inefficient solver behavior. We propose SAGE, a…

Artificial Intelligence · Computer Science 2026-05-05 Ruiqing Zhao , Fengzhi Li , Yuan Zuo , Rui Liu , Yansong Liu , Yunfei Ma , Fanyu Meng , Junlan Feng

The rapid progress of Large Language Models (LLMs) has given rise to a new category of autonomous AI systems, referred to as Deep Research (DR) agents. These agents are designed to tackle complex, multi-turn informational research tasks by…

Artificial Intelligence · Computer Science 2025-09-04 Yuxuan Huang , Yihang Chen , Haozheng Zhang , Kang Li , Huichi Zhou , Meng Fang , Linyi Yang , Xiaoguang Li , Lifeng Shang , Songcen Xu , Jianye Hao , Kun Shao , Jun Wang

Agentic AI will be an essential enabling technology for designing future mobile communication systems, which could provide flexible and customized services, automate complex network operations, and drive autonomous decision-making across…

Networking and Internet Architecture · Computer Science 2026-05-05 Purna Sai Garigipati , Onur Ayan , Kishor Chandra Joshi , Xueli An

We introduce CRAFT, a multi-agent benchmark for evaluating pragmatic communication in large language models under strict partial information. In this setting, multiple agents with complementary but incomplete views must coordinate through…

Computation and Language · Computer Science 2026-04-29 Abhijnan Nath , Hannah VanderHoeven , Nikhil Krishnaswamy

Software development has entered a new era where large language models (LLMs) now serve as general-purpose reasoning engines, enabling natural language interaction and transformative applications across diverse domains. This paradigm is now…

Computational Engineering, Finance, and Science · Computer Science 2025-09-16 Jiachen Guo , Chanwook Park , Dong Qian , Thomas J. R. Hughes , Wing Kam Liu

Large language model (LLM) agents increasingly coordinate in multi-agent systems, yet we lack an understanding of where and why cooperation failures may arise. In many real-world coordination problems, from knowledge sharing in…

Multiagent Systems · Computer Science 2026-04-10 Advait Yadav , Sid Black , Oliver Sourbut

Computer-Aided Engineering (CAE) enables simulation experts to optimize complex models, but faces challenges in user experience (UX) that limit efficiency and accessibility. While artificial intelligence (AI) has demonstrated potential to…

Large language model (LLM) agents currently depend on predefined tools or early-stage tool generation, limiting their adaptability and scalability to complex scientific tasks. We introduce CASCADE, a self-evolving agentic framework…

Artificial Intelligence · Computer Science 2026-01-29 Xu Huang , Junwu Chen , Yuxing Fei , Zhuohan Li , Philippe Schwaller , Gerbrand Ceder

Recent advancements in large language models (LLMs) have shown remarkable progress, yet their ability to solve complex problems remains limited. In this work, we introduce Cumulative Reasoning (CR), a structured framework that enhances LLM…

Artificial Intelligence · Computer Science 2026-05-22 Yifan Zhang , Jingqin Yang , Yang Yuan , Andrew Chi-Chih Yao

Generating regulatorily compliant Suspicious Activity Report (SAR) remains a high-cost, low-scalability bottleneck in Anti-Money Laundering (AML) workflows. While large language models (LLMs) offer promising fluency, they suffer from…

Artificial Intelligence · Computer Science 2025-09-18 Prathamesh Vasudeo Naik , Naresh Kumar Dintakurthi , Zhanghao Hu , Yue Wang , Robby Qiu

As artificial intelligence (AI) continues to evolve from a back-end computational tool into an interactive, generative collaborator, its integration into early-stage design processes demands a rethinking of traditional workflows in…

Human-Computer Interaction · Computer Science 2025-07-25 Zhangqi Liu

Despite recent advancements in Large Language Models (LLMs), complex Software Engineering (SE) tasks require more collaborative and specialized approaches. This concept paper systematically reviews the emerging paradigm of LLM-based…

Software Engineering · Computer Science 2026-01-21 Yongjian Tang , Thomas Runkler

Large language model (LLM) agents excel at solving complex long-horizon tasks through autonomous interaction with environments. However, their real-world deployment faces a fundamental device--cloud dilemma: on-device models are efficient…

Artificial Intelligence · Computer Science 2026-05-26 Yuxin Zhang , Mengxue Hu , Zheng Lin , Xiaoyi Fan , Fan Xie , Zihan Fang , Jing Yang , Wenjun Zhu , Zhiwen Chen , Chengfei Lv , Zhe Chen

The combination of LLM agents with external tools enables models to solve complex tasks beyond their knowledge base. Human-designed tools are inflexible and restricted to solutions within the scope of pre-existing tools created by experts.…

Artificial Intelligence · Computer Science 2025-11-18 Mohd Ariful Haque , Justin Williams , Sunzida Siddique , Md. Hujaifa Islam , Hasmot Ali , Kishor Datta Gupta , Roy George