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The goal of this work is to address two limitations in autoencoder-based models: latent space interpretability and compatibility with unstructured meshes. This is accomplished here with the development of a novel graph neural network (GNN)…

Machine Learning · Computer Science 2023-02-20 Shivam Barwey , Varun Shankar , Venkatasubramanian Viswanathan , Romit Maulik

In many cutting-edge applications, high-fidelity computational models prove to be too slow for practical use and are therefore replaced by much faster surrogate models. Recently, deep learning techniques have increasingly been utilized to…

Machine Learning · Computer Science 2024-04-03 Saurabh Deshpande , Stéphane P. A. Bordas , Jakub Lengiewicz

In complex, expensive optimization domains we often narrowly focus on finding high performing solutions, instead of expanding our understanding of the domain itself. But what if we could quickly understand the complex behaviors that can…

Neural and Evolutionary Computing · Computer Science 2021-05-11 Alexander Hagg , Dominik Wilde , Alexander Asteroth , Thomas Bäck

Graph prediction problems prevail in data analysis and machine learning. The inverse prediction problem, namely to infer input data from given output labels, is of emerging interest in various applications. In this work, we develop…

Machine Learning · Statistics 2022-11-22 Chen Xu , Xiuyuan Cheng , Yao Xie

Graph neural networks (GNN) has been successfully applied to operate on the graph-structured data. Given a specific scenario, rich human expertise and tremendous laborious trials are usually required to identify a suitable GNN architecture.…

Machine Learning · Computer Science 2019-09-11 Kaixiong Zhou , Qingquan Song , Xiao Huang , Xia Hu

A typical optimization of customized accelerators for error-tolerant applications such as multimedia, recognition, and classification is to replace traditional arithmetic units like multipliers and adders with the approximate ones to…

Hardware Architecture · Computer Science 2024-07-17 Qing Zhang , Cheng Liu , Siting Liu , Yajuan Hui , Huawei Li , Xiaowei Li

Numerical modeling of polycrystal plasticity is computationally intensive. We employ Graph Neural Networks (GNN) to predict stresses on complex geometries for polycrystal plasticity from Finite Element Method (FEM) simulations. We present a…

Materials Science · Physics 2025-02-13 Hanfeng Zhai

Existing Graph Neural Network (GNN) methods that learn inductive unsupervised graph representations focus on learning node and edge representations by predicting observed edges in the graph. Although such approaches have shown advances in…

Machine Learning · Computer Science 2020-10-12 Leonardo Cotta , Carlos H. C. Teixeira , Ananthram Swami , Bruno Ribeiro

Graph neural network (GNN) has shown convincing performance in learning powerful node representations that preserve both node attributes and graph structural information. However, many GNNs encounter problems in effectiveness and efficiency…

Machine Learning · Computer Science 2022-01-03 Jiyang Bai , Yuxiang Ren , Jiawei Zhang

Power system networks are often modeled as homogeneous graphs, which limits the ability of graph neural network (GNN) to capture individual generator features at the same nodes. By introducing the proposed virtual node-splitting strategy,…

Systems and Control · Electrical Eng. & Systems 2025-07-22 Thuan Pham , Xingpeng Li

Learning representations for graphs plays a critical role in a wide spectrum of downstream applications. In this paper, we summarize the limitations of the prior works in three folds: representation space, modeling dynamics and modeling…

Machine Learning · Computer Science 2021-04-07 Li Sun , Zhongbao Zhang , Jiawei Zhang , Feiyang Wang , Hao Peng , Sen Su , Philip S. Yu

Graph Neural Networks (GNNs) have achieved notable success in various applications over graph data. However, recent research has revealed that real-world graphs often contain noise, and GNNs are susceptible to noise in the graph. To address…

Machine Learning · Computer Science 2024-04-16 Tai Hasegawa , Sukwon Yun , Xin Liu , Yin Jun Phua , Tsuyoshi Murata

Graph neural networks (GNNs) have emerged as a versatile and efficient option for modeling the dynamic behavior of deformable materials. While GNNs generalize readily to arbitrary shapes, mesh topologies, and material parameters, existing…

Machine Learning · Computer Science 2026-04-30 Jiahong Wang , Logan Numerow , Stelian Coros , Christian Theobalt , Vahid Babaei , Bernhard Thomaszewski

Graph Neural Networks (GNNs) have emerged as a flexible and powerful approach for learning over graphs. Despite this success, existing GNNs are constrained by their local message-passing architecture and are provably limited in their…

Machine Learning · Computer Science 2021-10-29 Rajat Talak , Siyi Hu , Lisa Peng , Luca Carlone

This study explores the potential of graph neural networks (GNNs) to enhance semantic segmentation across diverse image modalities. We evaluate the effectiveness of a novel GNN-based U-Net architecture on three distinct datasets: PascalVOC,…

Computer Vision and Pattern Recognition · Computer Science 2025-01-22 Aryan Singh , Pepijn Van de Ven , Ciarán Eising , Patrick Denny

Graph Neural Networks (GNNs) have achieved state-of-the-art (SOTA) performance in diverse domains. However, training GNNs on large-scale graphs poses significant challenges due to high memory demands and significant communication overhead…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-05-19 Arefin Niam , M S Q Zulkar Nine

Weather Forecasting is an attractive challengeable task due to its influence on human life and complexity in atmospheric motion. Supported by massive historical observed time series data, the task is suitable for data-driven approaches,…

Machine Learning · Computer Science 2022-09-20 Minbo Ma , Peng Xie , Fei Teng , Tianrui Li , Bin Wang , Shenggong Ji , Junbo Zhang

We propose a mask pretraining method for Graph Neural Networks (GNNs) to improve their performance on fitting potential energy surfaces, particularly in water systems. GNNs are pretrained by recovering spatial information related to…

Machine Learning · Computer Science 2024-06-21 Zehua Zhang , Zijie Li , Amir Barati Farimani

This paper explores how graph neural networks (GNNs) can be used to enhance visual scene understanding and surgical skill assessment. By using GNNs to analyze the complex visual data of surgical procedures represented as graph structures,…

Computer Vision and Pattern Recognition · Computer Science 2023-08-28 Shuja Khalid , Frank Rudzicz

Objective: In modern healthcare, accurately predicting diseases is a crucial matter. This study introduces a novel approach using graph neural networks (GNNs) and a Graph Transformer (GT) to predict the incidence of heart failure (HF) on a…

Machine Learning · Computer Science 2025-06-23 Heloisa Oss Boll , Ali Amirahmadi , Amira Soliman , Stefan Byttner , Mariana Recamonde-Mendoza