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We present a novel reasoning approach called Flow-of-Options (FoO), designed to address intrinsic biases in Large Language Models (LLMs). Flow-of-Options enables LLMs to systematically explore a diverse range of possibilities in their…

Machine Learning · Computer Science 2025-06-02 Lakshmi Nair , Ian Trase , Mark Kim

Molecular dynamics (MD) simulations are essential for understanding biomolecular systems but remain challenging to automate. Recent advances in large language models (LLM) have demonstrated success in automating complex scientific tasks…

Artificial Intelligence · Computer Science 2025-02-14 Quintina Campbell , Sam Cox , Jorge Medina , Brittany Watterson , Andrew D. White

The integration of Large Language Models (LLMs) into engineering workflows presents new opportunities for making computational tools more accessible. Especially where such tools remain underutilized due to technical or expertise barriers,…

Artificial Intelligence · Computer Science 2026-02-19 Yinon Goldshtein , Gal Perelman , Assaf Schuster , Avi Ostfeld

Humans solve problems by executing targeted plans, yet large language models (LLMs) remain unreliable for structured workflow execution. We propose RunAgent, a multi-agent plan execution platform that interprets natural-language plans while…

Machine Learning · Computer Science 2026-05-04 Arunabh Srivastava , Mohammad A. , Khojastepour , Srimat Chakradhar , Sennur Ulukus

Large Language Models (LLMs) have demonstrated the ability to solve a wide range of practical tasks within multi-agent systems. However, existing human-designed multi-agent frameworks are typically limited to a small set of pre-defined…

Artificial Intelligence · Computer Science 2025-07-31 Yaolun Zhang , Xiaogeng Liu , Chaowei Xiao

Designing effective data manipulation methods is a long standing problem in data lakes. Traditional methods, which rely on rules or machine learning models, require extensive human efforts on training data collection and tuning models.…

Artificial Intelligence · Computer Science 2024-05-13 Yichen Qian , Yongyi He , Rong Zhu , Jintao Huang , Zhijian Ma , Haibin Wang , Yaohua Wang , Xiuyu Sun , Defu Lian , Bolin Ding , Jingren Zhou

Computational fluid dynamics (CFD) drives progress in numerous scientific and engineering fields, yet high-fidelity simulations remain computationally prohibitive. While machine learning approaches offer computing acceleration, they…

Fluid Dynamics · Physics 2025-08-12 Rui Zhang , Qi Meng , Han Wan , Yang Liu , Zhi-Ming Ma , Hao Sun

Large Language Models (LLMs) have demonstrated impressive performance across diverse domains, yet they still encounter challenges such as insufficient domain-specific knowledge, biases, and hallucinations. This underscores the need for…

Computation and Language · Computer Science 2025-04-07 Hongliu Cao , Ilias Driouich , Robin Singh , Eoin Thomas

Large language models (LLMs) have recently emerged as promising tools for solving challenging robotic tasks, even in the presence of action and observation uncertainties. Recent LLM-based decision-making methods (also referred to as…

Artificial Intelligence · Computer Science 2024-09-20 Abhinav Jain , Chris Jermaine , Vaibhav Unhelkar

Solving mechanics problems using numerical methods requires comprehensive intelligent capability of retrieving relevant knowledge and theory, constructing and executing codes, analyzing the results, a task that has thus far mainly been…

Artificial Intelligence · Computer Science 2023-11-15 Bo Ni , Markus J. Buehler

This paper presents a Large Language Model (LLM) based conversational agent system designed to enhance human-machine collaboration in Machine Learning Operations (MLOps). We introduce the Swarm Agent, an extensible architecture that…

Artificial Intelligence · Computer Science 2025-11-11 George Fatouros , Georgios Makridis , George Kousiouris , John Soldatos , Anargyros Tsadimas , Dimosthenis Kyriazis

Deep learning has emerged as a promising paradigm for spatio-temporal modeling of fluid dynamics. However, existing approaches often suffer from limited generalization to unseen flow conditions and typically require retraining when applied…

This paper explores the recent advancements in enhancing Computational Fluid Dynamics (CFD) tasks through Machine Learning (ML) techniques. We begin by introducing fundamental concepts, traditional methods, and benchmark datasets, then…

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

Modern information systems require autonomous agents capable of navigating complex workflows, yet current methodologies often struggle with the transition from structured metadata parsing to general environmental perception. While the…

Artificial Intelligence · Computer Science 2026-05-28 Susanna Cifani , Mario Luca Bernardi , Marta Cimitile

The Front-Tracking Method (FTM) is a promising approach for numerical solution of multiphase flows, considering a trade-off between accuracy and computational cost. The existing open-source open-access software for FTM is scarce, due to…

Fluid Dynamics · Physics 2026-02-25 Ehsan Amani

Large Language Models (LLMs), such as ChatGPT, LLaMA, GLM, and PaLM, have exhibited remarkable performances across various tasks in recent years. However, LLMs face two main challenges in real-world applications. One challenge is that…

Machine Learning · Computer Science 2023-10-17 Tao Fan , Yan Kang , Guoqiang Ma , Weijing Chen , Wenbin Wei , Lixin Fan , Qiang Yang

Recent advances in Transformer-based large language models (LLMs) have led to significant performance improvements across many tasks. These gains come with a drastic increase in the models' size, potentially leading to slow and costly use…

Computation and Language · Computer Science 2022-10-26 Tal Schuster , Adam Fisch , Jai Gupta , Mostafa Dehghani , Dara Bahri , Vinh Q. Tran , Yi Tay , Donald Metzler

The current work presents a novel COllaborative Open-source Lattice Boltzmann Method framework, so-called CooLBM. The computational framework is developed for the simulation of single and multi-component multi-phase problems, along with a…

Computational Physics · Physics 2025-02-19 R. Alamian , A. K. Nayak , M. S. Shadloo

Effectively integrating Large Language Models (LLMs) into autonomous driving requires a balance between leveraging high-level reasoning and maintaining real-time efficiency. Existing approaches either activate LLMs too frequently, causing…

Computer Vision and Pattern Recognition · Computer Science 2025-11-11 Ruifei Zhang , Junlin Xie , Wei Zhang , Weikai Chen , Xiao Tan , Xiang Wan , Guanbin Li
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