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In the age of large language models (LLMs), autonomous agents have emerged as a powerful paradigm for achieving general intelligence. These agents dynamically leverage tools, memory, and reasoning capabilities to accomplish user-defined…

Artificial Intelligence · Computer Science 2025-08-05 Chaojia Yu , Zihan Cheng , Hanwen Cui , Yishuo Gao , Zexu Luo , Yijin Wang , Hangbin Zheng , Yong Zhao

Large Language Models (LLMs) exhibit remarkable capabilities in the hierarchical decomposition of complex tasks through semantic reasoning. However, their application in embodied systems faces challenges in ensuring reliable execution of…

Robotics · Computer Science 2025-03-04 Mingcong Lei , Ge Wang , Yiming Zhao , Zhixin Mai , Qing Zhao , Yao Guo , Zhen Li , Shuguang Cui , Yatong Han , Jinke Ren

The adoption of Large Language Models (LLMs) for code generation in data science offers substantial potential for enhancing tasks such as data manipulation, statistical analysis, and visualization. However, the effectiveness of these models…

Software Engineering · Computer Science 2024-11-20 Nathalia Nascimento , Everton Guimaraes , Sai Sanjna Chintakunta , Santhosh Anitha Boominathan

Mathematical reasoning is a crucial capability for Large Language Models (LLMs), yet generating detailed and accurate reasoning traces remains a significant challenge. This paper introduces a novel approach to produce high-quality reasoning…

Computation and Language · Computer Science 2024-10-30 Yihe Deng , Paul Mineiro

Molecular optimization is a crucial yet complex and time-intensive process that often acts as a bottleneck for drug development. Traditional methods rely heavily on trial and error, making multi-objective optimization both time-consuming…

Biomolecules · Quantitative Biology 2025-03-06 Jiajun Yu , Yizhen Zheng , Huan Yee Koh , Shirui Pan , Tianyue Wang , Haishuai Wang

Modelica is a widely adopted language for simulating complex physical systems, yet effective model creation and optimization require substantial domain expertise. Although large language models (LLMs) have demonstrated promising…

Software Engineering · Computer Science 2025-03-25 Jiahui Xiang , Tong Ye , Peiyu Liu , Yinan Zhang , Wenhai Wang

Microwell microfluidics has been utilized for single-cell analysis to reveal heterogeneity in gene expression, signaling pathways, and phenotypic responses for identifying rare cell types, understanding disease progression, and developing…

Neurons and Cognition · Quantitative Biology 2025-10-17 Dinh-Nguyen Nguyen , Sadia Shakil , Raymond Kai-Yu Tong , Ngoc-Duy Dinh

We present MadFlow, a first general multi-purpose framework for Monte Carlo (MC) event simulation of particle physics processes designed to take full advantage of hardware accelerators, in particular, graphics processing units (GPUs). The…

Computational Physics · Physics 2021-08-18 Stefano Carrazza , Juan Cruz-Martinez , Marco Rossi , Marco Zaro

In the realm of Business Process Management (BPM), process modeling plays a crucial role in translating complex process dynamics into comprehensible visual representations, facilitating the understanding, analysis, improvement, and…

Software Engineering · Computer Science 2024-07-01 Humam Kourani , Alessandro Berti , Daniel Schuster , Wil M. P. van der Aalst

Large Language Models (LLMs) have demonstrated remarkable generalization and instruction-following capabilities with instruction tuning. The advancements in LLMs and instruction tuning have led to the development of Large Vision-Language…

Machine Learning · Computer Science 2024-11-05 Jinyoung Park , Minseong Bae , Dohwan Ko , Hyunwoo J. Kim

MLMOD is a software package for incorporating machine learning approaches and models into simulations of microscale mechanics and molecular dynamics in LAMMPS. Recent machine learning approaches provide promising data-driven approaches for…

Machine Learning · Computer Science 2023-10-24 Paul J. Atzberger

Large language models have increasingly been proposed as a powerful replacement for classical agent-based models (ABMs) to simulate social dynamics. By using LLMs as a proxy for human behavior, the hope of this new approach is to be able to…

Computers and Society · Computer Science 2024-12-09 Da Ju , Adina Williams , Brian Karrer , Maximilian Nickel

Large Language Models (LLMs) are increasingly being integrated into software development processes, with the potential to transform team workflows and productivity. This paper investigates how LLMs affect team collaboration throughout the…

Software Engineering · Computer Science 2025-10-13 Devang Dhanuka

Large Language Models (LLMs) have shown considerable potential in automating decision logic within knowledge-intensive processes. However, their effectiveness largely depends on the strategy and quality of prompting. Since decision logic is…

Artificial Intelligence · Computer Science 2025-09-05 Shaghayegh Abedi , Amin Jalali

As organizations increasingly seek to leverage machine learning (ML) capabilities, the technical complexity of implementing ML solutions creates significant barriers to adoption and impacts operational efficiency. This research examines how…

Human-Computer Interaction · Computer Science 2025-07-09 Jiapeng Yao , Lantian Zhang , Jiping Huang

Large language models have demonstrated exceptional performance across multiple crosslingual NLP tasks, including machine translation (MT). However, persistent challenges remain in addressing context-sensitive units (CSUs), such as…

Computation and Language · Computer Science 2025-05-30 Qiuyu Ding , Zhiqiang Cao , Hailong Cao , Tiejun Zhao

The core challenge in automotive exterior design is balancing subjective aesthetics with objective aerodynamic performance while dramatically accelerating the development cycle. To address this, we propose a novel, LLM-driven multi-agent…

Computational Engineering, Finance, and Science · Computer Science 2025-08-06 Xinyu Jin , Shengmao Yan , Qingtao Wang , Shisong Deng , Yanzhen Jiang , Shuangyao Zhao

Recent advancements in Large Language Models (LLMs) have led to a rapid growth of agentic systems capable of handling a wide range of complex tasks. However, current research largely relies on manual, task-specific design, limiting their…

Computation and Language · Computer Science 2025-02-28 Yu Shang , Yu Li , Keyu Zhao , Likai Ma , Jiahe Liu , Fengli Xu , Yong Li

Workflow automation promises substantial productivity gains in everyday document-related tasks. While prior agentic systems can execute isolated instructions, they struggle with automating multi-step, session-level workflows due to limited…

Software Engineering · Computer Science 2025-12-05 Yanbin Zhang , Hanhui Ye , Yue Bai , Qiming Zhang , Liao Xiang , Wu Mianzhi , Renjun Hu

Our research investigates the capability of modern multimodal reasoning models, powered by Large Language Models (LLMs), to facilitate vision-powered assistants for multi-step daily activities. Such assistants must be able to 1) encode…

Computer Vision and Pattern Recognition · Computer Science 2024-08-14 Mrinal Verghese , Brian Chen , Hamid Eghbalzadeh , Tushar Nagarajan , Ruta Desai