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Transformer-based large language models are rapidly advancing in the field of machine learning research, with applications spanning natural language, biology, chemistry, and computer programming. Extreme scaling and reinforcement learning…

Chemical Physics · Physics 2023-04-12 Daniil A. Boiko , Robert MacKnight , Gabe Gomes

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

The deployment of autonomous agents for Computational Fluid Dynamics (CFD), is critically limited by the probabilistic nature of Large Language Models (LLMs), which struggle to enforce the strict conservation laws and numerical stability…

Artificial Intelligence · Computer Science 2026-02-13 E Fan , Lisong Shi , Zhengtong Li , Chih-yung Wen

Reproducing scientific analyses is essential for preserving knowledge, building extensible codebases, and deepening researcher understanding - yet the effort often outweighs its academic recognition. We argue that the reproduction of…

High Energy Physics - Phenomenology · Physics 2026-04-22 Joschka Birk , Gregor Kasieczka , Siddharth Mishra-Sharma , Benjamin Nachman , Dennis Noll , Tanvi Wamorkar

Due to the scarcity of agent-oriented pre-training data, LLM-based autonomous agents typically rely on complex prompting or extensive fine-tuning, which often fails to introduce new capabilities while preserving strong generalizability. We…

AI agents are rapidly advancing from passive language models to autonomous systems executing complex, multi-step tasks. Yet their overconfidence in failure remains a fundamental barrier to deployment in high-stakes settings. Existing…

Artificial Intelligence · Computer Science 2026-01-23 Jiaxin Zhang , Caiming Xiong , Chien-Sheng Wu

The integration of Artificial Intelligence (AI) with High-Performance Computing (HPC) is transforming scientific workflows from human-directed pipelines into adaptive systems capable of autonomous decision-making. Large language models…

Autonomous scientific research is significantly advanced thanks to the development of AI agents. One key step in this process is finding the right scientific literature, whether to explore existing knowledge for a research problem, or to…

The rise of Agentic applications and automation in the Voice AI industry has led to an increased reliance on Large Language Models (LLMs) to navigate graph-based logic workflows composed of nodes and edges. However, existing methods face…

Artificial Intelligence · Computer Science 2025-03-11 Alex Casella , Wayne Wang

Integration of artificial intelligent (AI) agents in higher education is transforming teaching, learning and administrative processes. Although existing AI agents effectively support individual tasks, their implementation remains fragmented…

Artificial Intelligence · Computer Science 2026-05-15 Vidya K Sudarshan , Anushka Sisodia , Reshma A Ramachandra , Sia Batra , Josephine Chong Leng Leng

The rapid development and adoption of Generative AI (GAI) technology in the form of chatbots such as ChatGPT and Claude has greatly increased interest in agentic machines. This paper introduces the Autonomous Cognitive Entity (ACE) model, a…

Human-Computer Interaction · Computer Science 2023-11-02 David Shapiro , Wangfan Li , Manuel Delaflor , Carlos Toxtli

Traditional architectural simulations (e.g. Computational Fluid Dynamics, evacuation, structural analysis) model elements as deterministic physics-based "particles" rather than cognitive "agents". To bridge this, we introduce…

Human-Computer Interaction · Computer Science 2026-01-30 Javier Argota Sánchez-Vaquerizo , Luis Borunda Monsivais

Agentic AI is poised to usher in a seismic paradigm shift in Software Engineering (SE). As technologists rush head-along to make agentic AI a reality, SE researchers are driven to establish agentic SE as a research area. While early visions…

Software Engineering · Computer Science 2026-02-18 Rashina Hoda

The rapid evolution of AI-generated images poses growing challenges to information integrity and media authenticity. Existing detection approaches face limitations in robustness, interpretability, and generalization across diverse…

Computer Vision and Pattern Recognition · Computer Science 2026-04-08 Mengfei Liang , Yiting Qu , Yukun Jiang , Michael Backes , Yang Zhang

The growing complexity and scale of scientific workflows in high performance computing (HPC) environments have led to significant challenges in managing energy consumption without compromising computational performance. Traditional…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-05-25 Ali Zahir , Ashiq Anjum , Mark Wilkinson , Jeyan Thiyagalingam

The Polymorphic Combinatorial Framework (PCF) leverages Large Language Models (LLMs) and mathematical frameworks to guide the meta-prompt enabled design of solution spaces and adaptive AI agents for complex, dynamic environments. Unlike…

Artificial Intelligence · Computer Science 2025-08-05 David Pearl , Matthew Murphy , James Intriligator

The prevailing paradigm in AI for physical systems (scaling general-purpose foundation models toward universal multimodal reasoning) confronts a fundamental barrier at the control interface. Recent benchmarks show that even frontier…

Artificial Intelligence · Computer Science 2026-05-21 Yoon Pyo Lee , Samrendra Roy , Jay Yoo , Kazuma Kobayashi , Sajedul Talukder , Seid Koric , Souvik Chakraborty , Syed Bahauddin Alam

The rapid growth of AI agent ecosystems is transforming how complex tasks are delegated and executed, creating a new challenge of identifying suitable agents for a given task. Unlike traditional tools, agent capabilities are often…

Artificial Intelligence · Computer Science 2026-04-27 Bin Wu , Arastun Mammadli , Xiaoyu Zhang , Emine Yilmaz

Current benchmarks for occupational AI agents are scoped primarily by economic values, telling a replacement story. We introduce JobBench, which evaluates AI agents on the workflows that experts identify as high-priority for delegation,…

AI agents are increasingly deployed on complex, domain-specific workflows -- navigating enterprise web applications that require dozens of clicks and form fills, orchestrating multi-step research pipelines that span search, extraction, and…

Artificial Intelligence · Computer Science 2026-05-05 Haebin Seong , Li Yin , Haoran Zhang , Zhan Shi