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Partial differential equations (PDEs) play a dominant role in the mathematical modeling of many complex dynamical processes. Solving these PDEs often requires prohibitively high computational costs, especially when multiple evaluations must…

Machine Learning · Computer Science 2022-09-07 Muhammad I. Zafar , Jiequn Han , Xu-Hui Zhou , Heng Xiao

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

Learning the solution operators of PDEs on arbitrary domains is challenging due to the diversity of possible domain shapes, in addition to the often intricate underlying physics. We propose an end-to-end graph neural network (GNN) based…

Machine Learning · Computer Science 2025-10-15 Sepehr Mousavi , Shizheng Wen , Levi Lingsch , Maximilian Herde , Bogdan Raonić , Siddhartha Mishra

Developing efficient numerical algorithms for the solution of high dimensional random Partial Differential Equations (PDEs) has been a challenging task due to the well-known curse of dimensionality. We present a new solution framework for…

Machine Learning · Computer Science 2019-10-17 Mohammad Amin Nabian , Hadi Meidani

We propose a new family of efficient and expressive deep generative models of graphs, called Graph Recurrent Attention Networks (GRANs). Our model generates graphs one block of nodes and associated edges at a time. The block size and…

Graph neural Ordinary Differential Equations (ODE) combine neural ODE with the message passing mechanism of Graph Neural Networks (GNN), providing a continuous-time modeling method for graph representation learning. However, in dynamic…

Machine Learning · Computer Science 2026-04-29 Xiaoyi Wang , Zhiqiang Wang , Jianqing Liang , Xingwang Zhao , Chuangyin Dang , Zhen Jin , Jiye Liang

A large number of real-world networks include multiple types of nodes and edges. Graph Neural Network (GNN) emerged as a deep learning framework to generate node and graph embeddings for downstream machine learning tasks. However, popular…

Machine Learning · Computer Science 2024-11-26 Ziynet Nesibe Kesimoglu , Serdar Bozdag

Graph Neural Networks (GNNs) are routinely used in molecular physics, social sciences, and economics to model many-body interactions in graph-like systems. However, GNNs are inherently local and can suffer from information flow bottlenecks.…

Computational Physics · Physics 2025-02-21 Alessandro Caruso , Jacopo Venturin , Lorenzo Giambagli , Edoardo Rolando , Frank Noé , Cecilia Clementi

Graph neural networks (GNNs) leverage message passing mechanisms to learn the topological features of graph data. Traditional GNNs learns node features in a spatial domain unrelated to the topology, which can hardly ensure topological…

Machine Learning · Computer Science 2025-05-30 Juwei Yue , Haikuo Li , Jiawei Sheng , Xiaodong Li , Taoyu Su , Tingwen Liu , Li Guo

Multiphysics problems such as multicomponent diffusion, phase transformations in multiphase systems and alloy solidification involve numerical solution of a coupled system of nonlinear partial differential equations (PDEs). Numerical…

Materials Science · Physics 2022-11-24 Vir Karan , A. Maruthi Indresh , Saswata Bhattacharyya

Despite the great promise of the physics-informed neural networks (PINNs) in solving forward and inverse problems, several technical challenges are present as roadblocks for more complex and realistic applications. First, most existing…

Computational Engineering, Finance, and Science · Computer Science 2022-01-26 Han Gao , Matthew J. Zahr , Jian-Xun Wang

Partial Differential Equations (PDEs) underpin many scientific phenomena, yet traditional computational approaches often struggle with complex, nonlinear systems and irregular geometries. This paper introduces the AMG method, a Multi-Graph…

Machine Learning · Computer Science 2025-02-10 Zhihao Li , Haoze Song , Di Xiao , Zhilu Lai , Wei Wang

Modern graph representation learning works mostly under the assumption of dealing with regularly sampled temporal graph snapshots, which is far from realistic, e.g., social networks and physical systems are characterized by continuous…

Machine Learning · Computer Science 2024-09-11 Alessio Gravina , Daniele Zambon , Davide Bacciu , Cesare Alippi

Graph Visualization, also known as Graph Drawing, aims to find geometric embeddings of graphs that optimize certain criteria. Stress is a widely used metric; stress is minimized when every pair of nodes is positioned at their shortest path…

Computational Geometry · Computer Science 2024-02-13 Florian Grötschla , Joël Mathys , Robert Veres , Roger Wattenhofer

Accurate forecasting of energy demand and supply is critical for optimizing sustainable energy systems, yet it is challenged by the variability of renewable sources and dynamic consumption patterns. This paper introduces a neural framework…

Machine Learning · Computer Science 2025-07-15 Usman Gani Joy

Hypergraph neural networks (HGNNs) have shown remarkable potential in modeling high-order relationships that naturally arise in many real-world data domains. However, existing HGNNs often suffer from shallow propagation, oversmoothing, and…

Machine Learning · Computer Science 2026-04-14 Zhiheng Zhou , Mengyao Zhou , Xixun Lin , Xingqin Qi , Guiying Yan

Spatial-temporal forecasting has attracted tremendous attention in a wide range of applications, and traffic flow prediction is a canonical and typical example. The complex and long-range spatial-temporal correlations of traffic flow bring…

Machine Learning · Computer Science 2021-06-25 Zheng Fang , Qingqing Long , Guojie Song , Kunqing Xie

We introduce the framework of continuous-depth graph neural networks (GNNs). Neural graph differential equations (Neural GDEs) are formalized as the counterpart to GNNs where the input-output relationship is determined by a continuum of GNN…

Machine Learning · Computer Science 2021-06-23 Michael Poli , Stefano Massaroli , Clayton M. Rabideau , Junyoung Park , Atsushi Yamashita , Hajime Asama , Jinkyoo Park

This research introduces an extended application of neural networks for solving nonlinear partial differential equations (PDEs). A neural network, combined with a pseudo-arclength continuation, is proposed to construct bifurcation diagrams…

Numerical Analysis · Mathematics 2025-07-24 Muhammad Luthfi Shahab , Hadi Susanto

Neural networks inspired by differential equations have proliferated for the past several years. Neural ordinary differential equations (NODEs) and neural controlled differential equations (NCDEs) are two representative examples of them. In…

Machine Learning · Computer Science 2021-11-17 Sheo Yon Jhin , Heejoo Shin , Seoyoung Hong , Solhee Park , Noseong Park