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In the past three decades, a wide array of computational methodologies and simulation frameworks has emerged to address the complexities of modeling multi-phase flow and transport processes in fractured porous media. The conformal mesh…

Machine Learning · Computer Science 2025-02-26 Mohammed Al Kobaisi , Wenjuan Zhang , Waleed Diab , Hadi Hajibeygi

Direct numerical simulation (DNS) of turbulent flows is computationally expensive and cannot be applied to flows with large Reynolds numbers. Large eddy simulation (LES) is an alternative that is computationally less demanding, but is…

Fluid Dynamics · Physics 2021-09-09 Shengyu Chen , Shervin Sammak , Peyman Givi , Joseph P. Yurko1 , Xiaowei Jia

We introduce a Graph Transformer framework that serves as a general inverse physics engine on meshes, demonstrated through the challenging task of reconstructing aerodynamic flow fields from sparse surface measurements. While deep learning…

Machine Learning · Computer Science 2025-01-29 Gregory Duthé , Imad Abdallah , Eleni Chatzi

Learning the physical simulation on large-scale meshes with flat Graph Neural Networks (GNNs) and stacking Message Passings (MPs) is challenging due to the scaling complexity w.r.t. the number of nodes and over-smoothing. There has been…

Machine Learning · Computer Science 2026-05-27 Yadi Cao , Menglei Chai , Minchen Li , Chenfanfu Jiang

Graph prediction problems prevail in data analysis and machine learning. The inverse prediction problem, namely to infer input data from given output labels, is of emerging interest in various applications. In this work, we develop…

Machine Learning · Statistics 2022-11-22 Chen Xu , Xiuyuan Cheng , Yao Xie

Recent works have shown that physics-inspired architectures allow the training of deep graph neural networks (GNNs) without oversmoothing. The role of these physics is unclear, however, with successful examples of both reversible (e.g.,…

Machine Learning · Computer Science 2023-12-22 Anthony Gruber , Kookjin Lee , Nathaniel Trask

We present a novel machine learning approach for data assimilation applied in fluid mechanics, based on adjoint-optimization augmented by Graph Neural Networks (GNNs) models. We consider as baseline the Reynolds-Averaged Navier-Stokes…

Physical systems with complex unsteady dynamics, such as fluid flows, are often poorly represented by a single mean solution. For many practical applications, it is crucial to access the full distribution of possible states, from which…

Computational Physics · Physics 2025-04-07 Mario Lino , Tobias Pfaff , Nils Thuerey

Traditional computational fluid dynamics calculates the physical information of the flow field by solving partial differential equations, which takes a long time to calculate and consumes a lot of computational resources. We build a fluid…

Fluid Dynamics · Physics 2022-02-28 Qiang Liu , Wei Zhu , Xiyu Jia , Feng Ma , Yu Gao

Accurate, interpretable, and real-time modeling of multi-body dynamical systems is essential for predicting behaviors and inferring physical properties in natural and engineered environments. Traditional physics-based models face…

Machine Learning · Computer Science 2025-09-24 Vinay Sharma , Olga Fink

Machine learning-based simulators offer the potential to model the dynamics of complex systems more efficiently than classical approaches, while retaining differentiability, a key property for materials design. Graph neural network…

Chemical Physics · Physics 2026-05-12 S. A. Shteingolts , Salman N. Salman , Dan Mendels

Flood models inform strategic disaster management by simulating the spatiotemporal hydrodynamics of flooding. While physics-based numerical flood models are accurate, their substantial computational cost limits their use in operational…

Numerical simulation is a predominant tool for studying the dynamics in complex systems, but large-scale simulations are often intractable due to computational limitations. Here, we introduce the Neural Graph Simulator (NGS) for simulating…

Machine Learning · Computer Science 2024-11-15 Hoyun Choi , Sungyeop Lee , B. Kahng , Junghyo Jo

Graph Neural Networks (GNNs) have shown significant promise in various domains, such as recommendation systems, bioinformatics, and network analysis. However, the irregularity of graph data poses unique challenges for efficient computation,…

Machine Learning · Computer Science 2024-11-26 Pol Puigdemont , Enrico Russo , Axel Wassington , Abhijit Das , Sergi Abadal , Maurizio Palesi

Bidirectional recurrent neural networks (RNN) are trained to predict both in the positive and negative time directions simultaneously. They have not been used commonly in unsupervised tasks, because a probabilistic interpretation of the…

Machine Learning · Computer Science 2015-11-03 Mathias Berglund , Tapani Raiko , Mikko Honkala , Leo Kärkkäinen , Akos Vetek , Juha Karhunen

Modeling and simulation of complex fluid flows with dynamics that span multiple spatio-temporal scales is a fundamental challenge in many scientific and engineering domains. Full-scale resolving simulations for systems such as highly…

Machine Learning · Computer Science 2025-02-13 Han Gao , Sebastian Kaltenbach , Petros Koumoutsakos

Distribution shift severely degrades the performance of deep forecasting models. While this issue is well-studied for individual time series, it remains a significant challenge in the spatio-temporal domain. Effective solutions like…

Machine Learning · Computer Science 2026-04-20 Zhaobo Hu , Vincent Gauthier , Mehdi Naima

Existing Graph Neural Network (GNN) training frameworks have been designed to help developers easily create performant GNN implementations. However, most existing GNN frameworks assume that the input graphs are static, but ignore that most…

Machine Learning · Computer Science 2023-12-06 Chaoyi Chen , Dechao Gao , Yanfeng Zhang , Qiange Wang , Zhenbo Fu , Xuecang Zhang , Junhua Zhu , Yu Gu , Ge Yu

Pressure and flow estimation in Water Distribution Networks (WDN) allows water management companies to optimize their control operations. For many years, mathematical simulation tools have been the most common approach to reconstructing an…

Machine Learning · Computer Science 2024-07-11 Huy Truong , Andrés Tello , Alexander Lazovik , Victoria Degeler

Simulating object deformations is a critical challenge across many scientific domains, including robotics, manufacturing, and structural mechanics. Learned Graph Network Simulators (GNSs) offer a promising alternative to traditional…