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In this paper we present MLaut (Machine Learning AUtomation Toolbox) for the python data science ecosystem. MLaut automates large-scale evaluation and benchmarking of machine learning algorithms on a large number of datasets. MLaut provides…

Machine Learning · Computer Science 2019-01-14 Viktor Kazakov , Franz J. Király

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,…

Computational Engineering, Finance, and Science · Computer Science 2026-04-14 Daniel N. Wilke

Large language models (LLMs) have shown great potential in automating significant aspects of coding by producing natural code from informal natural language (NL) intent. However, given NL is informal, it does not lend easily to checking…

Software Engineering · Computer Science 2024-10-04 Sarah Fakhoury , Aaditya Naik , Georgios Sakkas , Saikat Chakraborty , Shuvendu K. Lahiri

Maintaining and scaling software systems relies heavily on effective code refactoring, yet this process remains labor-intensive, requiring developers to carefully analyze existing codebases and prevent the introduction of new defects.…

Software Engineering · Computer Science 2025-03-28 Yisen Xu , Feng Lin , Jinqiu Yang , Tse-Hsun , Chen , Nikolaos Tsantalis

The integration of Large Language Models (LLMs) into robotics has unlocked unprecedented capabilities in high-level task planning. However, most current systems operate in an open-loop fashion, where LLMs act as one-shot planners, rendering…

Robotics · Computer Science 2025-12-30 Anjali R. Menon , Rohit K. Sharma , Priya Singh , Chengyu Wang , Aurora M. Ferreira , Mateja Novak

The rapid evolution of Large Language Models (LLMs) into autonomous, tool-calling agents has fundamentally altered the cybersecurity landscape. Frameworks like OpenClaw grant AI systems operating-system-level permissions and the autonomy to…

Cryptography and Security · Computer Science 2026-03-16 Zonghao Ying , Xiao Yang , Siyang Wu , Yumeng Song , Yang Qu , Hainan Li , Tianlin Li , Jiakai Wang , Aishan Liu , Xianglong Liu

Analyzing non-compilable C/C++ submodules without a resolved build environment remains a critical bottleneck for industrial software evolution. Traditional static analysis tools often fail in these scenarios due to their reliance on…

Software Engineering · Computer Science 2026-02-20 Jaid Monwar Chowdhury , Ahmad Farhan Shahriar Chowdhury , Humayra Binte Monwar , Mahmuda Naznin

Computational Fluid Dynamics (CFD) is critical for scientific advancement but is hindered by operational complexity and high expertise barriers. This paper introduces ChatCFD, a Large Language Model (LLM)-driven multi-agent system designed…

Computation and Language · Computer Science 2026-02-10 E Fan , Kang Hu , Zhuowen Wu , Jiangyang Ge , Jiawei Miao , Yuzhi Zhang , He Sun , Weizong Wang , Tianhan Zhang

We aim at designing language agents with greater autonomy for crystal materials discovery. While most of existing studies restrict the agents to perform specific tasks within predefined workflows, we aim to automate workflow planning given…

Artificial Intelligence · Computer Science 2025-06-10 Lianhao Zhou , Hongyi Ling , Keqiang Yan , Kaiji Zhao , Xiaoning Qian , Raymundo Arróyave , Xiaofeng Qian , Shuiwang Ji

We present MOSAIC, a multi-agent Large Language Model (LLM) framework for solving challenging scientific coding tasks. Unlike general-purpose coding, scientific workflows require algorithms that are rigorous, interconnected with deep domain…

Computation and Language · Computer Science 2026-05-05 Siddeshwar Raghavan , Tanwi Mallick

Generating performant executables from high level languages is critical to software performance across a wide range of domains. Modern compilers perform this task by passing code through a series of well-studied optimizations at…

Programming Languages · Computer Science 2026-04-07 Benjamin Mikek , Danylo Vashchilenko , Bryan Lu , Panpan Xu

To retrieve and compare scientific data of simulations and experiments in materials science, data needs to be easily accessible and machine readable to qualify and quantify various materials science phenomena. The recent progress in open…

Materials Science · Physics 2025-03-25 Balduin Katzer , Steffen Klinder , Katrin Schulz

Large Language Models (LLMs) have shown remarkable capabilities in code generation tasks, yet they face significant limitations in handling complex, long-context programming challenges and demonstrating complex compositional reasoning…

Artificial Intelligence · Computer Science 2025-01-14 Amr Almorsi , Mohanned Ahmed , Walid Gomaa

Large language model (LLM)-based agents are increasingly used to perform complex, multi-step workflows in regulated settings such as compliance and due diligence. However, many agentic architectures rely primarily on prompt engineering of a…

Artificial Intelligence · Computer Science 2026-02-03 Ananya Joshi , Michael Rudow

Autonomous agents powered by large language models (LLMs) have the potential to enhance human capabilities, assisting with digital tasks from sending emails to performing data analysis. The abilities of existing LLMs at such tasks are often…

Machine Learning · Computer Science 2025-01-22 Hongjin Su , Ruoxi Sun , Jinsung Yoon , Pengcheng Yin , Tao Yu , Sercan Ö. Arık

We introduce PARC, a coding agent for the autonomous and robust execution of long-horizon computational tasks. PARC is built on a hierarchical multi-agent architecture incorporating task planning, execution, and a mechanism that evaluates…

Artificial Intelligence · Computer Science 2025-12-04 Yuki Orimo , Iori Kurata , Hodaka Mori , Ryuhei Okuno , Ryohto Sawada , Daisuke Okanohara

The rapid technological evolution has accelerated software development for various domains and use cases, contributing to a growing share of global carbon emissions. While recent large language models (LLMs) claim to assist developers in…

Software Engineering · Computer Science 2025-03-27 Pooja Rani , Jan-Andrea Bard , June Sallou , Alexander Boll , Timo Kehrer , Alberto Bacchelli

Recent advances in large language models (LLMs) have substantially enhanced automated code generation across a wide range of programming languages. Nonetheless, verifying the correctness and executability of LLM-generated code remains a…

Programming Languages · Computer Science 2026-01-14 Xinkui Zhao , Yifan Zhang , Zhengyi Zhou , Yueshen Xu

Autonomous coding agents are increasingly integrated into software development workflows, offering capabilities that extend beyond code suggestion to active system interaction and environment management. OpenClaw, a representative platform…

Cryptography and Security · Computer Science 2026-03-23 Fazhong Liu , Zhuoyan Chen , Tu Lan , Haozhen Tan , Zhenyu Xu , Xiang Li , Guoxing Chen , Yan Meng , Haojin Zhu

Large language models (LLMs) have advanced code generation from single-function tasks to competitive-programming problems, but existing multi-agent solutions either rely on costly large-scale (>30B) models or collapse when downsized to…

Computation and Language · Computer Science 2026-02-05 Woongkyu Lee , Junhee Cho , Jungwook Choi
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