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Large language models (LLMs) and agentic systems have recently demonstrated potential for automating scientific workflows, including atomistic simulations. However, their deployment in high-performance computing (HPC) environments remains…

Computational Physics · Physics 2026-04-27 William Dawson , Louis Beal , Yoann Curé , Giuseppe Fisicaro , Dorian Rolland , Luigi Genovese

Training trustworthy agentic LLMs requires data that shows the grounded reasoning process, not just the final answer. Existing datasets fall short: question-answering data is outcome-only, chain-of-thought data is not tied to specific…

Information Retrieval · Computer Science 2026-04-30 Saber Zerhoudi , Michael Granitzer , Jelena Mitrovic

Large Language Models (LLMs), with their exceptional ability to handle a wide range of tasks, have driven significant advancements in tackling reasoning and planning tasks, wherein decomposing complex problems into executable workflows is a…

Computation and Language · Computer Science 2025-02-25 Shuofei Qiao , Runnan Fang , Zhisong Qiu , Xiaobin Wang , Ningyu Zhang , Yong Jiang , Pengjun Xie , Fei Huang , Huajun Chen

The rapid advancement of Generative AI has catalyzed the emergence of autonomous AI agents, presenting unprecedented challenges for enterprise computing infrastructures. Current enterprise API architectures are predominantly designed for…

Software Engineering · Computer Science 2025-02-26 Vaibhav Tupe , Shrinath Thube

In the past year, researchers have created agentic systems that can design real-world CAD-style objects in a training-free setting, a new variety of system that we call Agent-Aided Design. These systems place an agent in a feedback loop in…

Artificial Intelligence · Computer Science 2026-04-28 Mitch Adler , Matthew Russo , Michael Cafarella

Leveraging multiple Large Language Models(LLMs) has proven effective for addressing complex, high-dimensional tasks, but current approaches often rely on static, manually engineered multi-agent configurations. To overcome these constraints,…

Machine Learning · Computer Science 2025-07-21 Xiaowen Ma , Chenyang Lin , Yao Zhang , Volker Tresp , Yunpu Ma

This position paper argues that the image processing community should broaden its focus from purely model-centric development to include agentic system design as an essential complementary paradigm. While deep learning has significantly…

Computer Vision and Pattern Recognition · Computer Science 2025-05-23 Jinjin Gu

Adapting production-level computer vision tools to bespoke scientific datasets is a critical "last mile" bottleneck. Current solutions are impractical: fine-tuning requires large annotated datasets scientists often lack, while manual code…

Computer Vision and Pattern Recognition · Computer Science 2025-12-09 Xuefei , Wang , Kai A. Horstmann , Ethan Lin , Jonathan Chen , Alexander R. Farhang , Sophia Stiles , Atharva Sehgal , Jonathan Light , David Van Valen , Yisong Yue , Jennifer J. Sun

Large Language Model (LLM)-powered agents have unlocked new possibilities for automating human tasks. While prior work has focused on well-defined tasks with specified goals, the capabilities of agents in creative design tasks with…

Artificial Intelligence · Computer Science 2025-04-17 Dayeon Ki , Tianyi Zhou , Marine Carpuat , Gang Wu , Puneet Mathur , Viswanathan Swaminathan

We introduce Simulation Streams, a programming paradigm designed to efficiently control and leverage Large Language Models (LLMs) for complex, dynamic simulations and agentic workflows. Our primary goal is to create a minimally interfering…

Artificial Intelligence · Computer Science 2025-02-03 Peter Sunehag , Joel Z. Leibo

We propose a new automated digital painting framework, based on a painting agent trained through reinforcement learning. To synthesize an image, the agent selects a sequence of continuous-valued actions representing primitive painting…

Computer Vision and Pattern Recognition · Computer Science 2019-04-05 Biao Jia , Chen Fang , Jonathan Brandt , Byungmoon Kim , Dinesh Manocha

Recent advances in large language models have sparked growing interest in AI agents capable of solving complex, real-world tasks. However, most existing agent systems rely on manually crafted configurations that remain static after…

Artificial Intelligence · Computer Science 2025-09-03 Jinyuan Fang , Yanwen Peng , Xi Zhang , Yingxu Wang , Xinhao Yi , Guibin Zhang , Yi Xu , Bin Wu , Siwei Liu , Zihao Li , Zhaochun Ren , Nikos Aletras , Xi Wang , Han Zhou , Zaiqiao Meng

Cybersecurity is being fundamentally reshaped by foundation-model-based artificial intelligence. Large language models now enable autonomous planning, tool orchestration, and strategic adaptation at scale, challenging security architectures…

Cryptography and Security · Computer Science 2025-12-30 Tao Li , Quanyan Zhu

MetaDesigner introduces a transformative framework for artistic typography synthesis, powered by Large Language Models (LLMs) and grounded in a user-centric design paradigm. Its foundation is a multi-agent system comprising the Pipeline,…

Large Language Models (LLMs) promise to accelerate discovery by reasoning across the expanding scientific landscape. Yet, the challenge is no longer access to information but connecting it in meaningful, domain-spanning ways. In materials…

Artificial Intelligence · Computer Science 2026-02-10 Isabella A. Stewart , Tarjei Paule Hage , Yu-Chuan Hsu , Markus J. Buehler

Agentic workflows built on low-code orchestration platforms enable rapid development of multi-agent systems, but they also introduce new and poorly understood failure modes that hinder reliability and maintainability. Unlike traditional…

Artificial Intelligence · Computer Science 2026-03-02 Xuyan Ma , Xiaofei Xie , Yawen Wang , Junjie Wang , Boyu Wu , Mingyang Li , Qing Wang

This paper introduces a multi-agent framework guided by Large Language Models (LLMs) to assist in the early stages of engineering design, a phase often characterized by vast parameter spaces and inherent uncertainty. Operating under a…

Artificial Intelligence · Computer Science 2026-04-21 Varun Kumar , George Em Karniadakis

Converting process sketches into executable simulation models remains a major bottleneck in process systems engineering, requiring substantial manual effort and simulator-specific expertise. Recent advances in generative AI have improved…

Software Engineering · Computer Science 2026-03-27 Abdullah Bahamdan , Emma Pajak , John D. Hedengren , Antonio del Rio Chanona

Agentic crafting requires LLMs to operate in real-world environments over multiple turns by taking actions, observing outcomes, and iteratively refining artifacts. Despite its importance, the open-source community lacks a principled,…

Automatic heuristic design (AHD) has emerged as a promising paradigm for solving NP-hard combinatorial optimization problems (COPs). Recent works show that large language models (LLMs), when integrated into well-designed frameworks (i.e.,…

Artificial Intelligence · Computer Science 2026-05-12 Haoze Lv , Ning Lu , Ziang Zhou , Shengcai Liu
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