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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)…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

神经与进化计算 · 计算机科学 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…

机器学习 · 统计学 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.…

机器学习 · 计算机科学 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…

硬件体系结构 · 计算机科学 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…

材料科学 · 物理学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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,…

系统与控制 · 电气工程与系统科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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,…

计算机视觉与模式识别 · 计算机科学 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…

分布式、并行与集群计算 · 计算机科学 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,…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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,…

计算机视觉与模式识别 · 计算机科学 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…

机器学习 · 计算机科学 2025-06-23 Heloisa Oss Boll , Ali Amirahmadi , Amira Soliman , Stefan Byttner , Mariana Recamonde-Mendoza