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Graph neural networks (GNNs) demonstrate a robust capability for representation learning on graphs with complex structures, showcasing superior performance in various applications. The majority of existing GNNs employ a graph convolution…

Machine Learning · Computer Science 2025-02-19 Jinlu Wang , Jipeng Guo , Yanfeng Sun , Junbin Gao , Shaofan Wang , Yachao Yang , Baocai Yin

Numerical simulators are essential tools in the study of natural fluid-systems, but their performance often limits application in practice. Recent machine-learning approaches have demonstrated their ability to accelerate spatio-temporal…

Fluid Dynamics · Physics 2022-05-06 Mario Lino , Stathi Fotiadis , Anil A. Bharath , Chris Cantwell

Deep neural networks (DNN) have been used successfully in many scientific problems for their high prediction accuracy, but their application to genetic studies remains challenging due to their poor interpretability. In this paper, we…

Machine Learning · Computer Science 2021-10-01 Peyman H. Kassani , Fred Lu , Yann Le Guen , Zihuai He

Learning to reason about relations and dynamics over multiple interacting objects is a challenging topic in machine learning. The challenges mainly stem from that the interacting systems are exponentially-compositional, symmetrical, and…

Machine Learning · Computer Science 2022-03-15 Wenbing Huang , Jiaqi Han , Yu Rong , Tingyang Xu , Fuchun Sun , Junzhou Huang

This study presents novel predictive models using Graph Neural Networks (GNNs) for simulating thermal dynamics in Laser Powder Bed Fusion (L-PBF) processes. By developing and validating Single-Laser GNN (SL-GNN) and Multi-Laser GNN (ML-GNN)…

Machine Learning · Computer Science 2024-07-22 Riddhiman Raut , Amit Kumar Ball , Amrita Basak

Artistic style transfer, a captivating application of generative artificial intelligence, involves fusing the content of one image with the artistic style of another to create unique visual compositions. This paper presents a comprehensive…

Computer Vision and Pattern Recognition · Computer Science 2023-10-31 Jonayet Miah , Duc M Cao , Md Abu Sayed , Md. Sabbirul Haque

The successful integration of machine learning models into decision support tools for grid operation hinges on effectively capturing the topological changes in daily operations. Frequent grid reconfigurations and N-k security analyses have…

Systems and Control · Electrical Eng. & Systems 2025-03-05 Agnes M. Nakiganda , Spyros Chatzivasileiadis

An artificial neural-network-based subgrid-scale model using the resolved stress, which is capable of predicting untrained decaying isotropic turbulence, is developed. Providing the grid-scale strain-rate tensor alone as input leads the…

Fluid Dynamics · Physics 2023-05-17 Myeongseok Kang , Youngmin Jeon , Donghyun You

Boundary layer turbulence, particularly the vertical fluxes of momentum, shapes the evolution of winds and currents and plays a critical role in weather, climate, and biogeochemical processes. In this work, a unified, data-driven…

Atmospheric and Oceanic Physics · Physics 2025-11-04 Renaud Falga , Sara Shamekh , Laure Zanna

Diffusion generative models have emerged as a powerful framework for addressing problems in structural biology and structure-based drug design. These models operate directly on 3D molecular structures. Due to the unfavorable scaling of…

Biomolecules · Quantitative Biology 2024-05-10 Ian Dunn , David Ryan Koes

Numerical modeling of polycrystal plasticity is computationally intensive. We employ Graph Neural Networks (GNN) to predict stresses on complex geometries for polycrystal plasticity from Finite Element Method (FEM) simulations. We present a…

Materials Science · Physics 2025-02-13 Hanfeng Zhai

Detecting and discovering new gene interactions based on known gene expressions and gene interaction data presents a significant challenge. Various statistical and deep learning methods have attempted to tackle this challenge by leveraging…

Machine Learning · Computer Science 2023-10-09 Ahmed Fakhry , Raneem Khafagy , Adriaan-Alexander Ludl

We discuss the emerging new opportunity for building feedback-rich computational models of social systems using generative artificial intelligence. Referred to as Generative Agent-Based Models (GABMs), such individual-level models utilize…

Artificial Intelligence · Computer Science 2024-01-15 Navid Ghaffarzadegan , Aritra Majumdar , Ross Williams , Niyousha Hosseinichimeh

We present a deep-learning approach to restore a sequence of turbulence-distorted video frames from turbulent deformations and space-time varying blurs. Instead of requiring a massive training sample size in deep networks, we purpose a…

Computer Vision and Pattern Recognition · Computer Science 2018-08-14 Wai Ho Chak , Chun Pong Lau , Lok Ming Lui

With the rapid advance of Machine Learning techniques and the deep increase of availability of scientific data, data-driven approaches have started to become progressively popular across science, causing a fundamental shift in the…

Numerical Analysis · Mathematics 2023-06-06 Giulia Bertaglia

Recent work has focused on data-driven learning of the evolution of unknown systems via deep neural networks (DNNs), with the goal of conducting long time prediction of the evolution of the unknown system. Training a DNN with low…

Machine Learning · Computer Science 2022-12-28 Victor Churchill , Steve Manns , Zhen Chen , Dongbin Xiu

In large-eddy simulations, subgrid-scale (SGS) processes are parameterized as a function of filtered grid-scale variables. First-order, algebraic SGS models are based on the eddy-viscosity assumption, which does not always hold for…

Symbolic regression refers to the task of finding a closed-form mathematical expression to fit a set of data points. Genetic programming based techniques are the most common algorithms used to tackle this problem, but recently,…

Machine Learning · Computer Science 2025-10-10 Ryan T. Tymkow , Benjamin D. Schnapp , Mojtaba Valipour , Ali Ghodshi

Efficient modeling of jet diffusion during accidental release is critical for operation and maintenance management of hydrogen facilities. Deep learning has proven effective for concentration prediction in gas jet diffusion scenarios.…

Computational Engineering, Finance, and Science · Computer Science 2023-09-06 Xinqi Zhang , Jihao Shi , Junjie Li , Xinyan Huang , Fu Xiao , Qiliang Wang , Asif Sohail Usmani , Guoming Chen

A fast and accurate turbulence transport model based on quasilinear gyrokinetics is developed. The model consists of a set of neural networks trained on a bespoke quasilinear GENE dataset, with a saturation rule calibrated to dedicated…

Plasma Physics · Physics 2023-06-02 J. Citrin , P. Trochim , T. Goerler , D. Pfau , K. L. van de Plassche , F. Jenko
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