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Large language models (LLMs) are catalyzing the development of autonomous AI research agents for scientific and engineering discovery. We present FM Agent, a novel and general-purpose multi-agent framework that leverages a synergistic…

Optimization problems in process engineering, including design and operation, can often pose challenges to many solvers: multi-modal, non-smooth, and discontinuous models often with large computational requirements. In such cases, the…

Optimization and Control · Mathematics 2025-01-17 Eric S. Fraga , Veerawat Udomvorakulchai , Miguel Pineda , Lazaros G. Papageorgiou

Optimizing metamaterials with complex geometries is a big challenge. Although an active learning algorithm, combining machine learning (ML), quantum computing, and optical simulation, has emerged as an efficient optimization tool, it still…

Quantum Physics · Physics 2024-05-06 Seongmin Kim , In-Saeng Suh

Efficient physics simulations are essential for numerous applications, ranging from realistic cloth animations or smoke effects in video games, to analyzing pollutant dispersion in environmental sciences, to calculating vehicle drag…

Computational Physics · Physics 2025-04-22 Nils Wandel , Stefan Schulz , Reinhard Klein

We propose a novel multi-dimensional integration algorithm using a machine learning (ML) technique. After training a ML regression model to mimic a target integrand, the regression model is used to evaluate an approximation of the integral.…

Computational Physics · Physics 2021-10-14 Boram Yoon

Recently, Large Language Models (LLMs) have been applied to scientific equation discovery, leveraging their embedded scientific knowledge for hypothesis generation. However, current methods typically confine LLMs to the role of an equation…

Artificial Intelligence · Computer Science 2026-02-18 Shijie Xia , Yuhan Sun , Pengfei Liu

Representation learning has been widely studied in the context of meta-learning, enabling rapid learning of new tasks through shared representations. Recent works such as MAML have explored using fine-tuning-based metrics, which measure the…

Machine Learning · Computer Science 2021-05-06 Kurtland Chua , Qi Lei , Jason D. Lee

This study proposes a self-optimization physics-informed Fourier-features randomized neural network (SO-PIFRNN) framework, which significantly improves the numerical solving accuracy of PDEs through hyperparameter optimization mechanism.…

Neural and Evolutionary Computing · Computer Science 2025-08-18 Jiale Linghu , Weifeng Gao , Hao Dong , Yufeng Nie

In this paper, we develop a unified machine learning (ML) approach to predict high-quality solutions for single-machine scheduling problems with a non-decreasing min-sum objective function with or without release times. Our ML approach is…

Optimization and Control · Mathematics 2025-01-09 Anbang Liu , Zhi-Long Chen , Jinyang Jiang , Xi Chen

The increasing popularity of deep learning models has created new opportunities for developing AI-based recommender systems. Designing recommender systems using deep neural networks requires careful architecture design, and further…

Information Retrieval · Computer Science 2024-11-13 Tunhou Zhang , Dehua Cheng , Yuchen He , Zhengxing Chen , Xiaoliang Dai , Liang Xiong , Yudong Liu , Feng Cheng , Yufan Cao , Feng Yan , Hai Li , Yiran Chen , Wei Wen

Multi-agent distributed consensus optimization problems arise in many signal processing applications. Recently, the alternating direction method of multipliers (ADMM) has been used for solving this family of problems. ADMM based distributed…

Systems and Control · Computer Science 2015-06-18 Tsung-Hui Chang , Mingyi Hong , Xiangfeng Wang

Current Large Language Model (LLM) agents demonstrate strong reasoning and tool use capabilities, but often lack self-awareness, failing to balance these approaches effectively. This imbalance leads to Tool Overuse, where models…

Artificial Intelligence · Computer Science 2025-05-27 Cheng Qian , Emre Can Acikgoz , Hongru Wang , Xiusi Chen , Avirup Sil , Dilek Hakkani-Tür , Gokhan Tur , Heng Ji

Iterative methods are widely used for solving partial differential equations (PDEs). However, the difficulty in eliminating global low-frequency errors significantly limits their convergence speed. In recent years, neural networks have…

Computational Physics · Physics 2024-10-10 Daiwei Dong , Wei Suo , Jiaqing Kou , Weiwei Zhang

The design of Analog and Mixed-Signal (AMS) integrated circuits remains heavily reliant on expert knowledge, with transistor sizing a major bottleneck due to nonlinear behavior, high-dimensional design spaces, and strict performance…

Artificial Intelligence · Computer Science 2026-05-29 Xi Yu , Dmitrii Torbunov , Soumyajit Mandal , Yihui Ren

Materials-by-design has been historically challenging due to complex process-microstructure-property relations. Conventional analytical or simulation-based approaches suffer from low accuracy or long computational time and poor…

Materials Science · Physics 2023-10-24 Xiao Shang , Zhiying Liu , Jiahui Zhang , Tianyi Lyu , Yu Zou

Modern engineering increasingly relies on vast datasets generated by experiments and simulations, driving a growing demand for efficient, reliable, and broadly applicable modeling strategies. There is also heightened interest in developing…

Artificial Intelligence · Computer Science 2025-10-03 Yang Liu , Zaid Abulawi , Abhiram Garimidi , Doyeong Lim

Today's fast linear algebra and numerical optimization tools have pushed the frontier of model predictive control (MPC) forward, to the efficient control of highly nonlinear and hybrid systems. The field of hybrid MPC has demonstrated that…

Optimization and Control · Mathematics 2020-05-11 Jia-Jie Zhu , Georg Martius

Modern scientific discovery increasingly relies on high-performance computing for complex modeling and simulation. A key challenge in improving parallel program performance is efficiently mapping tasks to processors and data to memory, a…

Machine Learning · Computer Science 2025-06-02 Anjiang Wei , Allen Nie , Thiago S. F. X. Teixeira , Rohan Yadav , Wonchan Lee , Ke Wang , Alex Aiken

The emergence of huge-scale, data-intensive linear optimization (LO) problems in applications such as machine learning has driven the need for more computationally efficient interior point methods (IPMs). While conventional IPMs are…

Traditional optimization methods excel in well-defined search spaces but struggle with design problems where transformations and design parameters are difficult to define. Large language models (LLMs) offer a promising alternative by…

Machine Learning · Computer Science 2025-12-01 Anthony Carreon , Vansh Sharma , Venkat Raman
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