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Graph neural networks (GNNs) have demonstrated significant promise in modelling relational data and have been widely applied in various fields of interest. The key mechanism behind GNNs is the so-called message passing where information is…

Machine Learning · Computer Science 2023-10-31 Andi Han , Dai Shi , Lequan Lin , Junbin Gao

Partial differential equations (PDEs) govern nearly every physical process in science and engineering, yet solving them at scale remains prohibitively expensive. Generative AI has transformed language, vision, and protein science, but…

Machine Learning · Computer Science 2026-04-10 Yilong Dai , Shengyu Chen , Xiaowei Jia , Runlong Yu

Dynamics modeling has been introduced as a novel paradigm in message passing (MP) of graph neural networks (GNNs). Existing methods consider MP between nodes as a heat diffusion process, and leverage heat equation to model the temporal…

Machine Learning · Computer Science 2025-05-30 Juwei Yue , Haikuo Li , Jiawei Sheng , Yihan Guo , Xinghua Zhang , Chuan Zhou , Tingwen Liu , Li Guo

Edge Digital Twins (EDTs) are crucial for monitoring and control of Power Electronics Systems (PES). However, existing modeling approaches struggle to consistently capture continuously evolving hybrid dynamics that are inherent in PES,…

Machine Learning · Computer Science 2025-08-06 Jialin Zheng , Haoyu Wang , Yangbin Zeng , Di Mou , Xin Zhang , Hong Li , Sergio Vazquez , Leopoldo G. Franquelo

Breast compression simulation is essential for accurate image registration from 3D modalities to X-ray procedures like mammography. It accounts for tissue shape and position changes due to compression, ensuring precise alignment and…

Computer Vision and Pattern Recognition · Computer Science 2024-11-12 Hadeel Awwad , Eloy García , Robert Martí

Traffic forecasting is important in intelligent transportation systems of webs and beneficial to traffic safety, yet is very challenging because of the complex and dynamic spatio-temporal dependencies in real-world traffic systems. Prior…

Machine Learning · Computer Science 2021-12-07 Yuchen Fang , Yanjun Qin , Haiyong Luo , Fang Zhao , Liang Zeng , Bo Hui , Chenxing Wang

Battery energy storage systems (BESS) have become increasingly vital in three-phase unbalanced distribution grids for maintaining voltage stability and enabling optimal dispatch. However, existing deep learning approaches often lack…

Machine Learning · Computer Science 2026-01-30 Aoxiang Ma , Salah Ghamizi , Jun Cao , Pedro Rodriguez

This paper proposes a physics-guided recurrent neural network model (PGRNN) that combines RNNs and physics-based models to leverage their complementary strengths and improve the modeling of physical processes. Specifically, we show that a…

Computational Physics · Physics 2019-02-01 Xiaowei Jia , Jared Willard , Anuj Karpatne , Jordan Read , Jacob Zwart , Michael Steinbach , Vipin Kumar

Computational Intelligence (CI) techniques have shown great potential as a surrogate model of expensive physics simulation, with demonstrated ability to make fast predictions, albeit at the expense of accuracy in some cases. For many…

Graph neural networks (GNNs) have emerged as the state of the art for a variety of graph-related tasks and have been widely used in Heterogeneous Graphs (HetGs), where meta-paths help encode specific semantics between various node types.…

Machine Learning · Computer Science 2025-02-25 Xuqi Mao , Zhenying He , X. Sean Wang

Implicit graph neural networks have gained popularity in recent years as they capture long-range dependencies while improving predictive performance in static graphs. Despite the tussle between performance degradation due to the…

Machine Learning · Computer Science 2024-06-27 Yongjian Zhong , Hieu Vu , Tianbao Yang , Bijaya Adhikari

As an emerging technology in deep learning, physics-informed neural networks (PINNs) have been widely used to solve various partial differential equations (PDEs) in engineering. However, PDEs based on practical considerations contain…

Machine Learning · Computer Science 2021-11-11 Yuhao Huang

In this paper, a physics-informed multiresolution wavelet neural network (PIMWNN) method is proposed for solving partial differential equations (PDEs). This method uses the multiresolution wavelet neural network (MWNN) to approximate…

Numerical Analysis · Mathematics 2025-08-12 Feng Han , Jianguo Wang , Guoliang Peng , Xueting Shi

Invertible transformation of large graphs into fixed dimensional vectors (embeddings) remains a challenge. Its overcoming would reduce any operation on graphs to an operation in a vector space. However, most existing methods are limited to…

Machine Learning · Computer Science 2022-07-12 Adam Małkowski , Jakub Grzechociński , Paweł Wawrzyński

This paper introduces an adaptive physics-guided neural network (APGNN) framework for predicting quality attributes from image data by integrating physical laws into deep learning models. The APGNN adaptively balances data-driven and…

Methodology · Statistics 2024-11-18 David Shulman , Itai Dattner

Accurate prediction of permeability in porous media is essential for modeling subsurface flow. While pure data-driven models offer computational efficiency, they often lack generalization across scales and do not incorporate explicit…

Machine Learning · Computer Science 2025-09-18 Qingqi Zhao , Heng Xiao

Recent works have demonstrated the potential of Graph Neural Networks (GNN) for network intrusion detection. Despite their advantages, a significant gap persists between real-world scenarios, where detection speed is critical, and existing…

Machine Learning · Computer Science 2024-06-21 Louis Van Langendonck , Ismael Castell-Uroz , Pere Barlet-Ros

Recent advances in machine learning offer new ways to represent and study scholarly works and the space of knowledge. Graph and text embeddings provide a convenient vector representation of scholarly works based on citations and text. Yet,…

Social and Information Networks · Computer Science 2025-02-14 Isabel Constantino , Sadamori Kojaku , Santo Fortunato , Yong-Yeol Ahn

Graph Neural Networks have rapidly advanced in materials science and chemistry,with their performance critically dependent on comprehensive representations of crystal or molecular structures across five dimensions: elemental information,…

Materials Science · Physics 2025-09-09 Hongwei Du , Hong Wang

Partial differential equations (PDEs) are central to scientific modeling. Modern workflows increasingly rely on learning-based components to support model reuse, inference, and integration across large computational processes. Despite the…

Machine Learning · Computer Science 2026-02-20 Yilong Dai , Shengyu Chen , Ziyi Wang , Xiaowei Jia , Yiqun Xie , Vipin Kumar , Runlong Yu
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