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The modeling and control of single-phase flow systems governed by Partial Differential Equations (PDEs) present challenges, especially under transient conditions. In this work, we extend the Physics-Informed Neural Nets for Control (PINC)…

Machine Learning · Computer Science 2025-06-09 Luis Kin Miyatake , Eduardo Camponogara , Eric Aislan Antonelo , Alexey Pavlov

Generative models generate vast numbers of hypothetical materials, necessitating fast, accurate models for property prediction. Graph Neural Networks (GNNs) excel in this domain but face challenges like high training costs, domain…

Materials Science · Physics 2025-01-08 Hongwei Du , Jiamin Wang , Jian Hui , Lanting Zhang , Hong Wang

While complex simulations of physical systems have been widely used in engineering and scientific computing, lowering their often prohibitive computational requirements has only recently been tackled by deep learning approaches. In this…

Numerical Analysis · Mathematics 2023-10-26 Chuanbo Hua , Federico Berto , Michael Poli , Stefano Massaroli , Jinkyoo Park

We explore the use of graph neural networks (GNNs) to model spatial processes in which there is no a priori graphical structure. Similar to finite element analysis, we assign nodes of a GNN to spatial locations and use a computational…

Machine Learning · Computer Science 2019-11-19 Ferran Alet , Adarsh K. Jeewajee , Maria Bauza , Alberto Rodriguez , Tomas Lozano-Perez , Leslie Pack Kaelbling

The computational complexity of classical numerical methods for solving Partial Differential Equations (PDE) scales significantly as the resolution increases. As an important example, climate predictions require fine spatio-temporal…

Machine Learning · Computer Science 2022-10-12 Oussama Boussif , Dan Assouline , Loubna Benabbou , Yoshua Bengio

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

Graph neural networks (GNNs) achieve strong performance on relational data, but real-world graphs are often distributed across organizations that cannot share raw data due to privacy and policy constraints. Existing federated GNN methods…

Machine Learning · Computer Science 2026-05-27 Zhishuai Guo , Wenhan Wu , Chen Chen , Lei Zhang , Olivera Kotevska , Ravi K Madduri

Partial Differential Equations (PDEs) have long been recognized as powerful tools for image processing and analysis, providing a framework to model and exploit structural and geometric properties inherent in visual data. Over the years,…

Image and Video Processing · Electrical Eng. & Systems 2024-12-17 Alejandro Garnung Menéndez

Many problems in science and engineering can be represented by a set of partial differential equations (PDEs) through mathematical modeling. Mechanism-based computation following PDEs has long been an essential paradigm for studying topics…

Machine Learning · Computer Science 2022-11-21 Shudong Huang , Wentao Feng , Chenwei Tang , Jiancheng Lv

Graph embedding, aiming to learn low-dimensional representations (aka. embeddings) of nodes, has received significant attention recently. Recent years have witnessed a surge of efforts made on static graphs, among which Graph Convolutional…

Machine Learning · Computer Science 2021-04-08 Zeyu Cui , Zekun Li , Shu Wu , Xiaoyu Zhang , Qiang Liu , Liang Wang , Mengmeng Ai

Graph neural networks (GNNs) provide a powerful and scalable solution for modeling continuous spatial data. However, they often rely on Euclidean distances to construct the input graphs. This assumption can be improbable in many real-world…

Machine Learning · Computer Science 2023-02-20 Konstantin Klemmer , Nathan Safir , Daniel B. Neill

Driven by the need to accelerate numerical simulations, the use of machine learning techniques is rapidly growing in the field of computational solid mechanics. Their application is especially advantageous in concurrent multiscale finite…

Numerical Analysis · Mathematics 2023-03-22 M. A. Maia , I. B. C. M. Rocha , P. Kerfriden , F. P. van der Meer

Many real-world graphs (networks) are heterogeneous with different types of nodes and edges. Heterogeneous graph embedding, aiming at learning the low-dimensional node representations of a heterogeneous graph, is vital for various…

Social and Information Networks · Computer Science 2021-12-15 Wentao Xu , Yingce Xia , Weiqing Liu , Jiang Bian , Jian Yin , Tie-Yan Liu

The transformative impact of machine learning, particularly Deep Learning (DL), on scientific and engineering domains is evident. In the context of computational fluid dynamics (CFD), Physics-Informed Neural Networks (PINNs) represent a…

Fluid Dynamics · Physics 2024-04-05 Siddharth Raghu , Rajdip Nayek , Vamsi Chalamalla

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

We present a framework for solving a broad class of ill-posed inverse problems governed by partial differential equations (PDEs), where the target coefficients of the forward operator are recovered through an iterative regularization scheme…

This paper introduces PDEformer, a neural solver for partial differential equations (PDEs) capable of simultaneously addressing various types of PDEs. We propose to represent the PDE in the form of a computational graph, facilitating the…

Numerical Analysis · Mathematics 2025-01-28 Zhanhong Ye , Xiang Huang , Leheng Chen , Hongsheng Liu , Zidong Wang , Bin Dong

Traffic state estimation (TSE) fundamentally involves solving high-dimensional spatiotemporal partial differential equations (PDEs) governing traffic flow dynamics from limited, noisy measurements. While Physics-Informed Neural Networks…

Machine Learning · Computer Science 2025-08-19 Zhihao Li , Ting Wang , Guojian Zou , Ruofei Wang , Ye Li

Physics-informed neural network architectures have emerged as a powerful tool for developing flexible PDE solvers which easily assimilate data, but face challenges related to the PDE discretization underpinning them. By instead adapting a…

Numerical Analysis · Mathematics 2020-12-11 Ravi G. Patel , Indu Manickam , Nathaniel A. Trask , Mitchell A. Wood , Myoungkyu Lee , Ignacio Tomas , Eric C. Cyr

We present a novel graph transformer framework, HAMLET, designed to address the challenges in solving partial differential equations (PDEs) using neural networks. The framework uses graph transformers with modular input encoders to directly…