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Graph neural networks (GNNs) are typically applied to static graphs that are assumed to be known upfront. This static input structure is often informed purely by insight of the machine learning practitioner, and might not be optimal for the…

Machine learning (ML) and deep learning (DL) techniques have gained significant attention as reduced order models (ROMs) to computationally expensive structural analysis methods, such as finite element analysis (FEA). Graph neural network…

Machine Learning · Computer Science 2023-09-25 Yuecheng Cai , Jasmin Jelovica

Graph Neural Networks (GNNs) have been widely applied to various fields due to their powerful representations of graph-structured data. Despite the success of GNNs, most existing GNNs are designed to learn node representations on the fixed…

Machine Learning · Computer Science 2021-06-14 Seongjun Yun , Minbyul Jeong , Sungdong Yoo , Seunghun Lee , Sean S. Yi , Raehyun Kim , Jaewoo Kang , Hyunwoo J. Kim

Graph-based data present unique challenges and opportunities for machine learning. Graph Neural Networks (GNNs), and especially those algorithms that capture graph topology through message passing for neighborhood aggregation, have been a…

Machine Learning · Computer Science 2024-04-19 Zheyi Qin , Randy Paffenroth , Anura P. Jayasumana

Graph neural network (GNN) is a promising approach to learning and predicting physical phenomena described in boundary value problems, such as partial differential equations (PDEs) with boundary conditions. However, existing models…

Machine Learning · Computer Science 2023-03-24 Masanobu Horie , Naoto Mitsume

The increasing penetration of renewable energy sources introduces significant variability and uncertainty in modern power systems, making accurate state prediction critical for reliable grid operation. Conventional forecasting methods often…

Machine Learning · Computer Science 2025-04-01 Dhruv Suri , Mohak Mangal

Production forecast based on historical data provides essential value for developing hydrocarbon resources. Classic history matching workflow is often computationally intense and geometry-dependent. Analytical data-driven models like…

Machine Learning · Computer Science 2022-09-27 Wendi Liu , Michael J. Pyrcz

Graph Neural Networks (GNNs) are a promising deep learning approach for circumventing many real-world problems on graph-structured data. However, these models usually have at least one of four fundamental limitations: over-smoothing,…

Machine Learning · Computer Science 2022-10-03 Xun Liu , Alex Hay-Man Ng , Fangyuan Lei , Yikuan Zhang , Zhengmin Li

Utilizing machine learning to address partial differential equations (PDEs) presents significant challenges due to the diversity of spatial domains and their corresponding state configurations, which complicates the task of encompassing all…

Machine Learning · Computer Science 2024-05-28 Masanobu Horie , Naoto Mitsume

Graph Neural Networks have recently become a prevailing paradigm for various high-impact graph analytical problems. Existing efforts can be mainly categorized as spectral-based and spatial-based methods. The major challenge for the former…

Machine Learning · Computer Science 2022-02-22 Yushun Dong , Kaize Ding , Brian Jalaian , Shuiwang Ji , Jundong Li

Parameter Estimation (PE) and State Estimation (SE) are the most wide-spread tasks in the system engineering. They need to be done automatically, fast and frequently, as measurements arrive. Deep Learning (DL) holds the promise of tackling…

Machine Learning · Computer Science 2021-02-15 Laurent Pagnier , Michael Chertkov

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

Deep learning models for graphs, especially Graph Convolutional Networks (GCNs), have achieved remarkable performance in the task of semi-supervised node classification. However, recent studies show that GCNs suffer from adversarial…

Machine Learning · Computer Science 2020-12-14 Haoxi Zhan , Xiaobing Pei

Heterogeneous Graph Neural Networks (HGNNs) have exhibited powerful performance in heterogeneous graph learning by aggregating information from various types of nodes and edges. However, existing heterogeneous graph models often struggle to…

Machine Learning · Computer Science 2025-09-30 Ranhui Yan , Jia cai

Heterogeneous graphs (HGs) are common in real-world scenarios and often exhibit heterophily. However, most existing studies focus on either heterogeneity or heterophily in isolation, overlooking the prevalence of heterophilic HGs in…

Machine Learning · Computer Science 2025-08-11 Qin Chen , Guojie Song

Graph convolutional networks (GCNs) suffer from the irregularity of graphs, while more widely-used convolutional neural networks (CNNs) benefit from regular grids. To bridge the gap between GCN and CNN, in contrast to previous works on…

Machine Learning · Computer Science 2019-09-30 Yecheng Lyu , Xinming Huang , Ziming Zhang

Heterogeneous graphs (HGs) also known as heterogeneous information networks have become ubiquitous in real-world scenarios; therefore, HG embedding, which aims to learn representations in a lower-dimension space while preserving the…

Social and Information Networks · Computer Science 2020-12-02 Xiao Wang , Deyu Bo , Chuan Shi , Shaohua Fan , Yanfang Ye , Philip S. Yu

Heterogeneous information network (HIN) embedding, aiming to map the structure and semantic information in a HIN to distributed representations, has drawn considerable research attention. Graph neural networks for HIN embeddings typically…

Social and Information Networks · Computer Science 2020-07-07 Di Jin , Zhizhi Yu , Dongxiao He , Carl Yang , Philip S. Yu , Jiawei Han

Graph similarity computation aims to predict a similarity score between one pair of graphs to facilitate downstream applications, such as finding the most similar chemical compounds similar to a query compound or Fewshot 3D Action…

Machine Learning · Computer Science 2021-01-06 Haoyan Xu , Ziheng Duan , Jie Feng , Runjian Chen , Qianru Zhang , Zhongbin Xu , Yueyang Wang

Surrogate models are essential in structural analysis and optimization. We propose a heterogeneous graph representation of stiffened panels that accounts for geometrical variability, non-uniform boundary conditions, and diverse loading…

Computational Engineering, Finance, and Science · Computer Science 2026-01-12 Yuecheng Cai , Jasmin Jelovica