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The behavior of many dynamical systems follow complex, yet still unknown partial differential equations (PDEs). While several machine learning methods have been proposed to learn PDEs directly from data, previous methods are limited to…

Machine Learning · Computer Science 2021-02-01 Valerii Iakovlev , Markus Heinonen , Harri Lähdesmäki

Solving partial differential equations (PDEs) can be prohibitively expensive using traditional numerical methods. Deep learning-based surrogate models typically specialize in a single PDE with fixed parameters. We present a framework for…

Machine Learning · Computer Science 2025-11-14 Qian-Ze Zhu , Paul Raccuglia , Michael P. Brenner

Graph Neural Networks (GNNs) have become a popular approach for various applications, ranging from social network analysis to modeling chemical properties of molecules. While GNNs often show remarkable performance on public datasets, they…

Machine Learning · Computer Science 2022-02-03 Krzysztof Sadowski , Michał Szarmach , Eddie Mattia

Ordinary and partial differential equations (DE) are used extensively in scientific and mathematical domains to model physical systems. Current literature has focused primarily on deep neural network (DNN) based methods for solving a…

Neural and Evolutionary Computing · Computer Science 2023-06-21 Hyeonjung , Jung , Jayant Gupta , Bharat Jayaprakash , Matthew Eagon , Harish Panneer Selvam , Carl Molnar , William Northrop , Shashi Shekhar

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…

Graph Neural Networks (GNN) are a promising technique for bridging differential programming and combinatorial domains. GNNs employ trainable modules which can be assembled in different configurations that reflect the relational structure of…

Machine Learning · Computer Science 2018-11-19 Marcelo O. R. Prates , Pedro H. C. Avelar , Henrique Lemos , Luis Lamb , Moshe Vardi

Time series forecasting is an extensively studied subject in statistics, economics, and computer science. Exploration of the correlation and causation among the variables in a multivariate time series shows promise in enhancing the…

Machine Learning · Computer Science 2021-04-22 Chao Shang , Jie Chen , Jinbo Bi

The dominant paradigm for machine learning on graphs uses Message Passing Graph Neural Networks (MP-GNNs), in which node representations are updated by aggregating information in their local neighborhood. Recently, there have been…

Machine Learning · Computer Science 2023-03-02 Daniel Glickman , Eran Yahav

While Hyperbolic Graph Neural Network (HGNN) has recently emerged as a powerful tool dealing with hierarchical graph data, the limitations of scalability and efficiency hinder itself from generalizing to deep models. In this paper, by…

Machine Learning · Computer Science 2024-06-10 Jiaxu Liu , Xinping Yi , Sihao Wu , Xiangyu Yin , Tianle Zhang , Xiaowei Huang , Shi Jin

In this work we study the problem about learning a partial differential equation (PDE) from its solution data. PDEs of various types are used as examples to illustrate how much the solution data can reveal the PDE operator depending on the…

Numerical Analysis · Mathematics 2022-11-10 Yuchen He , Hongkai Zhao , Yimin Zhong

Finding accurate solutions to partial differential equations (PDEs) is a crucial task in all scientific and engineering disciplines. It has recently been shown that machine learning methods can improve the solution accuracy by correcting…

Computational Physics · Physics 2021-01-06 Kiwon Um , Robert Brand , Yun , Fei , Philipp Holl , Nils Thuerey

Neural diffusion on graphs is a novel class of graph neural networks that has attracted increasing attention recently. The capability of graph neural partial differential equations (PDEs) in addressing common hurdles of graph neural…

Machine Learning · Computer Science 2023-05-12 Yang Song , Qiyu Kang , Sijie Wang , Zhao Kai , Wee Peng Tay

Data-driven discovery of partial differential equations (PDEs) offers a promising paradigm for uncovering governing physical laws from observational data. However, in practical scenarios, measurements are often contaminated by noise and…

Machine Learning · Computer Science 2026-03-25 Xingyu Chen , Junxiu An , Jun Guo , Yuqian Zhou

There has been an increasing interest in modeling continuous-time dynamics of temporal graph data. Previous methods encode time-evolving relational information into a low-dimensional representation by specifying discrete layers of neural…

Machine Learning · Computer Science 2022-06-01 Jin Guo , Zhen Han , Zhou Su , Jiliang Li , Volker Tresp , Yuyi Wang

One of the main challenges in using deep learning-based methods for simulating physical systems and solving partial differential equations (PDEs) is formulating physics-based data in the desired structure for neural networks. Graph neural…

Graph Neural Networks (GNNs) learn from graph-structured data by passing local messages between neighboring nodes along edges on certain topological layouts. Typically, these topological layouts in modern GNNs are deterministically computed…

Machine Learning · Computer Science 2024-02-27 Xinjian Zhao , Chaolong Ying , Tianshu Yu

Recently, neural networks have been extensively employed to solve partial differential equations (PDEs) in physical system modeling. While major studies focus on learning system evolution on predefined static mesh discretizations, some…

Machine Learning · Computer Science 2024-02-20 Peiyan Hu , Yue Wang , Zhi-Ming Ma

Current graph neural networks (GNNs) lack generalizability with respect to scales (graph sizes, graph diameters, edge weights, etc..) when solving many graph analysis problems. Taking the perspective of synthesizing graph theory programs,…

Machine Learning · Computer Science 2020-10-27 Hao Tang , Zhiao Huang , Jiayuan Gu , Bao-Liang Lu , Hao Su

We introduce a general framework for solving partial differential equations (PDEs) using generative diffusion models. In particular, we focus on the scenarios where we do not have the full knowledge of the scene necessary to apply classical…

Machine Learning · Computer Science 2024-11-04 Jiahe Huang , Guandao Yang , Zichen Wang , Jeong Joon Park

Graph Neural Networks (GNNs) are a powerful representational tool for solving problems on graph-structured inputs. In almost all cases so far, however, they have been applied to directly recovering a final solution from raw inputs, without…

Machine Learning · Statistics 2020-01-16 Petar Veličković , Rex Ying , Matilde Padovano , Raia Hadsell , Charles Blundell
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