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The convergence of artificial intelligence and materials science presents a transformative opportunity, but achieving true acceleration in discovery requires moving beyond task-isolated, fine-tuned models toward agentic systems that plan,…

Agent-based models (ABMs) highlight the importance of simulation validation, such as qualitative face validation and quantitative empirical validation. In particular, we focused on quantitative validation by adjusting simulation input…

Artificial Intelligence · Computer Science 2022-03-08 Dongjun Kim , Tae-Sub Yun , Il-Chul Moon , Jang Won Bae

This paper develops a control-theoretic framework for analyzing agentic systems embedded within feedback control loops, where an AI agent may adapt controller parameters, select among control strategies, invoke external tools, reconfigure…

Systems and Control · Electrical Eng. & Systems 2026-03-26 Ali Eslami , Jiangbo Yu

The rapidly growing demand for high-quality data in Large Language Models (LLMs) has intensified the need for scalable, reliable, and semantically rich data preparation pipelines. However, current practices remain dominated by ad-hoc…

Reproducing computational research is often assumed to be as simple as rerunning the original code with provided data. In practice, missing packages, fragile file paths, version conflicts, or incomplete logic frequently cause analyses to…

Software Engineering · Computer Science 2026-04-24 Syed Mehtab Hussain Shah , Frank Hopfgartner , Arnim Bleier

The automated generation of agentic workflows is a promising frontier for enabling large language models (LLMs) to solve complex tasks. However, our investigation reveals that the robustness of agentic workflow remains a critical,…

Multiagent Systems · Computer Science 2025-10-07 Shengxiang Xu , Jiayi Zhang , Shimin Di , Yuyu Luo , Liang Yao , Hanmo Liu , Jia Zhu , Fan Liu , Min-Ling Zhang

In this paper, we propose an Agentic Artificial Intelligence (AI) framework for wireless networks. The framework coordinates a pool of AI agents guided by Natural Language (NL) inputs from a human operator. At its core, the super agent is…

Networking and Internet Architecture · Computer Science 2026-04-07 Md Arafat Habib , Medhat Elsayed , Majid Bavand , Pedro Enrique Iturria Rivera , Yigit Ozcan , Melike Erol-Kantarci

Large-language-model (LLM)-based AI agents have recently showcased impressive versatility by employing dynamic reasoning, an adaptive, multi-step process that coordinates with external tools. This shift from static, single-turn inference to…

Machine Learning · Computer Science 2026-01-08 Jiin Kim , Byeongjun Shin , Jinha Chung , Minsoo Rhu

Agentic AI coding tools increasingly automate software development tasks. Developers can configure these tools through versioned repository-level artifacts such as Markdown and JSON files. We present a systematic analysis of configuration…

Agent-based modeling is a computational dynamic modeling technique that may be less familiar to some readers. Agent-based modeling seeks to understand the behaviour of complex systems by situating agents in an environment and studying the…

Multiagent Systems · Computer Science 2023-04-19 G. Wade McDonald , Nathaniel D. Osgood

We instruct an AI agent to construct two separate agentic AI platforms: one for autonomous training of predictive ML models for human-human and virus-human PPI, and the other for inducing explicit general rules governing human-human and…

Artificial Intelligence · Computer Science 2026-04-28 Hung N. Do , Jessica Z. Kubicek-Sutherland , Oscar A. Negrete , S. Gnanakaran

Recent advances in agentic AI have shifted the focus from standalone Large Language Models (LLMs) to integrated systems that combine LLMs with tools, memory, and other agents to perform complex tasks. These multi-agent architectures enable…

Multiagent Systems · Computer Science 2025-12-17 Sreemaee Akshathala , Bassam Adnan , Mahisha Ramesh , Karthik Vaidhyanathan , Basil Muhammed , Kannan Parthasarathy

Scientific experimentation and manufacturing rely on prolonged protocol development and complex, multi-step implementation, which require continuous human expertise for precise execution and decision-making, limiting interpretability and…

Artificial Intelligence · Computer Science 2026-02-09 Xinyi Lin , Yuyang Zhang , Yuanhang Gan , Juntao Chen , Hao Shen , Yichun He , Lijun Li , Ze Yuan , Shuang Wang , Chaohao Wang , Rui Zhang , Na Li , Jia Liu

As artificial intelligence (AI) systems rapidly gain autonomy, the need for robust responsible AI frameworks becomes paramount. This paper investigates how organizations perceive and adapt such frameworks amidst the emerging landscape of…

Computers and Society · Computer Science 2025-04-17 Lee Ackerman

This paper presents a first empirical study of agentic AI as autonomous decision-makers in decentralized governance. Using more than 3K proposals from major protocols, we build an agentic AI voter that interprets proposal contexts,…

Artificial Intelligence · Computer Science 2025-10-28 Agostino Capponi , Alfio Gliozzo , Chunghyun Han , Junkyu Lee

We show that Automatic Differentiation (AD) operators can be provided in a dynamic language without sacrificing numeric performance. To achieve this, general forward and reverse AD functions are added to a simple high-level dynamic…

Programming Languages · Computer Science 2016-11-11 Jeffrey Mark Siskind , Barak A. Pearlmutter

The application of operator overloading algorithmic differentiation (AD) to computer programs in order to compute the derivative is quite common. But, the replacement of the underlying computational floating point type with the specialized…

Mathematical Software · Computer Science 2026-02-18 Max Sagebaum , Nicolas R. Gauger

Large Language Models (LLMs) can generate Computer-Aided Design (CAD), yet lack physical comprehension required for reliable engineering design. Instead of attempting to implicitly learn physical laws from data, we propose a Hybrid…

Computer Vision and Pattern Recognition · Computer Science 2026-05-20 Elias Berger , Muhammad Usama , Jan Mehlstäubl , Bernhard Saske , Kristin Paetzold-Byhain

Agentic AI systems, which leverage multiple autonomous agents and large language models (LLMs), are increasingly used to address complex, multi-step tasks. The safety, security, and functionality of these systems are critical, especially in…

Artificial Intelligence · Computer Science 2026-04-16 Edoardo Allegrini , Ananth Shreekumar , Z. Berkay Celik

Process Flow Diagrams (PFDs) and Process and Instrumentation Diagrams (PIDs) are critical tools for industrial process design, control, and safety. However, the generation of precise and regulation-compliant diagrams remains a significant…

Machine Learning · Computer Science 2024-12-10 Sakhinana Sagar Srinivas , Akash Das , Shivam Gupta , Venkataramana Runkana
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