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Atomistic simulations are essential tools in chemistry and materials science, accelerating the discovery of novel catalysts, energy storage materials, and pharmaceuticals. However, running these simulations remains challenging due to the…

Chemical Physics · Physics 2025-06-11 Thang D. Pham , Aditya Tanikanti , Murat Keçeli

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

GraphFlow is a visual workflow system designed to improve the reliability of agentic AI automation in multi-step, mission-critical processes. In these workflows, small errors compound rapidly: under an idealized model of independent steps,…

Artificial Intelligence · Computer Science 2026-05-15 Drewry H. Morris , Luis Valles , Reza Hosseini Ghomi

The rapid adoption of Large Language Models (LLMs) in interactive systems has enabled the creation of dynamic, open-ended Role-Playing Agents (RPAs). However, evaluating these agents remains a significant challenge, as standard NLP metrics…

Computation and Language · Computer Science 2026-04-14 Riccardo Rosati , Edoardo Colucci , Massimiliano Bolognini , Adriano Mancini , Paolo Sernani

Large Language Models (LLMs) have shown great promise in automating data analytics tasks by interpreting natural language queries and generating multi-operation execution plans. However, existing LLM-agent-based analytics frameworks operate…

Artificial Intelligence · Computer Science 2025-11-03 Haichao Ji , Zibo Wang , Cheng Pan , Meng Han , Yifei Zhu , Dan Wang , Zhu Han

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

Analog/mixed-signal circuits are key for interfacing electronics with the physical world. Their design, however, remains a largely handcrafted process, resulting in long and error-prone design cycles. While the recent rise of AI-based…

Machine Learning · Computer Science 2026-01-15 Mohsen Ahmadzadeh , Kaichang Chen , Georges Gielen

Language agents powered by large language models (LLMs) have demonstrated remarkable capabilities in understanding, reasoning, and executing complex tasks. However, developing robust agents presents significant challenges: substantial…

Computation and Language · Computer Science 2025-06-02 Qianqian Zhang , Jiajia Liao , Heting Ying , Yibo Ma , Haozhan Shen , Jingcheng Li , Peng Liu , Lu Zhang , Chunxin Fang , Kyusong Lee , Ruochen Xu , Tiancheng Zhao

Large Language Models (LLMs) in agentic workflows combine multi-step reasoning, heterogeneous tool use, and collaboration across multiple specialized agents. Existing LLM serving engines optimize individual calls in isolation, while…

Databases · Computer Science 2026-01-21 Junyi Shen , Noppanat Wadlom , Yao Lu

Agentic AI will be an essential enabling technology for designing future mobile communication systems, which could provide flexible and customized services, automate complex network operations, and drive autonomous decision-making across…

Networking and Internet Architecture · Computer Science 2026-05-05 Purna Sai Garigipati , Onur Ayan , Kishor Chandra Joshi , Xueli An

Modern scientific discovery increasingly relies on workflows that process data across the Edge, Cloud, and High Performance Computing (HPC) continuum. Comprehensive and in-depth analyses of these data are critical for hypothesis validation,…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-09-24 Renan Souza , Timothy Poteet , Brian Etz , Daniel Rosendo , Amal Gueroudji , Woong Shin , Prasanna Balaprakash , Rafael Ferreira da Silva

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

Recent agentic systems demonstrate that large language models can generate scientific visualizations from natural language. However, reliability remains a major limitation: systems may execute invalid operations, introduce subtle but…

Human-Computer Interaction · Computer Science 2026-03-27 Nathaniel Gorski , Shusen Liu , Bei Wang

A common workflow in science and engineering is to (i) setup and deploy large experiments with tasks comprising an application and multiple parameter values; (ii) generate intermediate results; (iii) analyze them; and (iv) reprioritize the…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-11-10 Bruno Silva , Marco A. S. Netto , Renato L. F. Cunha

Large Language Models (LLMs), including the LLaMA model, have exhibited their efficacy across various general-domain natural language processing (NLP) tasks. However, their performance in high-performance computing (HPC) domain tasks has…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-11-23 Xianzhong Ding , Le Chen , Murali Emani , Chunhua Liao , Pei-Hung Lin , Tristan Vanderbruggen , Zhen Xie , Alberto E. Cerpa , Wan Du

Long-horizon robotic manipulation poses significant challenges for autonomous systems, requiring extended reasoning, precise execution, and robust error recovery across complex sequential tasks. Current approaches, whether based on static…

Translating algorithms from high-level languages like MATLAB to hardware description languages (HDLs) is a resource-intensive but necessary step for deployment on FPGAs and ASICs. While large language models (LLMs) offer a path to…

Software Engineering · Computer Science 2025-12-18 Henry Gray , Tom Yotam , Octavian Udrea

Large Language Model (LLM) based agents are powerful yet fundamentally static after deployment, lacking the ability to autonomously expand capabilities, generate new tools, or evolve their reasoning. This work introduces a hierarchical…

Computation and Language · Computer Science 2026-01-21 Indrajit Kar , Sammy Zonunpuia , Zonunfeli Ralte

Recent advances in multimodal vision-language-action (VLA) models have revolutionized traditional robot learning, enabling systems to interpret vision, language, and action in unified frameworks for complex task planning. However, mastering…

Robotics · Computer Science 2025-06-12 Hongjun Wu , Heng Zhang , Pengsong Zhang , Jin Wang , Cong Wang

Large language model (LLM)-based systems are becoming increasingly popular for solving tasks by constructing executable workflows that interleave LLM calls, information retrieval, tool use, code execution, memory updates, and verification.…

Artificial Intelligence · Computer Science 2026-03-25 Ling Yue , Kushal Raj Bhandari , Ching-Yun Ko , Dhaval Patel , Shuxin Lin , Nianjun Zhou , Jianxi Gao , Pin-Yu Chen , Shaowu Pan
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