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Graph Neural Networks (GNNs) have been widely studied for graph data representation and learning. However, existing GNNs generally conduct context-aware learning on node feature representation only which usually ignores the learning of edge…

Machine Learning · Computer Science 2019-10-07 Bo Jiang , Leiling Wang , Jin Tang , Bin Luo

We present an attention-based spatial graph convolution (AGC) for graph neural networks (GNNs). Existing AGCs focus on only using node-wise features and utilizing one type of attention function when calculating attention weights. Instead,…

Computer Vision and Pattern Recognition · Computer Science 2023-03-06 Yang Li , Yuichi Tanaka

Recent advancements in graph neural networks (GNNs) have significantly enhanced the prediction of material properties by modeling crystal structures as graphs. However, GNNs often struggle to capture global structural characteristics, such…

Machine Learning · Computer Science 2025-08-11 Jaewan Lee , Changyoung Park , Hongjun Yang , Sungbin Lim , Woohyung Lim , Sehui Han

Existing Graph Neural Networks (GNNs) compute the message exchange between nodes by either aggregating uniformly (convolving) the features of all the neighboring nodes, or by applying a non-uniform score (attending) to the features. Recent…

Machine Learning · Computer Science 2023-03-02 Adrián Javaloy , Pablo Sanchez-Martin , Amit Levi , Isabel Valera

This paper presents a novel graph-based deep learning model for tasks involving relations between two nodes (edge-centric tasks), where the focus lies on predicting relationships and interactions between pairs of nodes rather than node…

Machine Learning · Computer Science 2025-07-08 Eugenio Borzone , Leandro Di Persia , Matias Gerard

A large number of real-world networks include multiple types of nodes and edges. Graph Neural Network (GNN) emerged as a deep learning framework to generate node and graph embeddings for downstream machine learning tasks. However, popular…

Machine Learning · Computer Science 2024-11-26 Ziynet Nesibe Kesimoglu , Serdar Bozdag

Lots of neural network architectures have been proposed to deal with learning tasks on graph-structured data. However, most of these models concentrate on only node features during the learning process. The edge features, which usually play…

Machine Learning · Computer Science 2021-01-20 Jun Chen , Haopeng Chen

Usual relations between entities could be captured using graphs; but those of a higher-order -- more so between two different types of entities (which we term "left" and "right") -- calls for a "bipartite hypergraph". For example, given a…

Machine Learning · Computer Science 2021-11-02 Govind Sharma , Swyam Prakash Singh , V. Susheela Devi , M. Narasimha Murty

In recent years, various artificial intelligence-based surrogate models have been proposed to provide rapid manufacturability predictions of material forming processes. However, traditional AI-based surrogate models, typically built with…

Machine Learning · Computer Science 2025-07-17 Yingxue Zhao , Qianyi Chen , Haoran Li , Haosu Zhou , Hamid Reza Attar , Tobias Pfaff , Tailin Wu , Nan Li

In this paper, we present Conjoint Attentions (CAs), a class of novel learning-to-attend strategies for graph neural networks (GNNs). Besides considering the layer-wise node features propagated within the GNN, CAs can additionally…

Machine Learning · Computer Science 2021-12-14 Tiantian He , Yew-Soon Ong , Lu Bai

Unsupervised graph representation learning aims to learn low-dimensional node embeddings without supervision while preserving graph topological structures and node attributive features. Previous graph neural networks (GNN) require a large…

Machine Learning · Computer Science 2020-09-04 Yanqiao Zhu , Yichen Xu , Feng Yu , Shu Wu , Liang Wang

In this paper, we aim to address a significant challenge in the field of missing data imputation: identifying and leveraging the interdependencies among features to enhance missing data imputation for tabular data. We introduce a novel…

Machine Learning · Computer Science 2024-11-08 Zhaoyang Zhang , Hongtu Zhu , Ziqi Chen , Yingjie Zhang , Hai Shu

Graph Neural Network (GNN) is a powerful model to learn representations and make predictions on graph data. Existing efforts on GNN have largely defined the graph convolution as a weighted sum of the features of the connected nodes to form…

Machine Learning · Computer Science 2020-06-02 Hongmin Zhu , Fuli Feng , Xiangnan He , Xiang Wang , Yan Li , Kai Zheng , Yongdong Zhang

Graph neural networks have become an important tool for modeling structured data. In many real-world systems, intricate hidden information may exist, e.g., heterogeneity in nodes/edges, static node/edge attributes, and spatiotemporal…

Machine Learning · Computer Science 2020-10-12 Yucheng Lin , Huiting Hong , Xiaoqing Yang , Xiaodi Yang , Pinghua Gong , Jieping Ye

Graph convolutional network (GCN) is generalization of convolutional neural network (CNN) to work with arbitrarily structured graphs. A binary adjacency matrix is commonly used in training a GCN. Recently, the attention mechanism allows the…

Machine Learning · Statistics 2022-03-03 Chao Shang , Qinqing Liu , Ko-Shin Chen , Jiangwen Sun , Jin Lu , Jinfeng Yi , Jinbo Bi

Machine learning (ML) methods have gained increasing popularity in exploring and developing new materials. More specifically, graph neural network (GNN) has been applied in predicting material properties. In this work, we develop a novel…

Computational Physics · Physics 2020-08-18 Steph-Yves Louis , Yong Zhao , Alireza Nasiri , Xiran Wong , Yuqi Song , Fei Liu , Jianjun Hu

We propose an extension to the transformer neural network architecture for general-purpose graph learning by adding a dedicated pathway for pairwise structural information, called edge channels. The resultant framework - which we call…

Machine Learning · Computer Science 2022-06-06 Md Shamim Hussain , Mohammed J. Zaki , Dharmashankar Subramanian

Bipartite graphs have been used to represent data relationships in many data-mining applications such as in E-commerce recommendation systems. Since learning in graph space is more complicated than in Euclidian space, recent studies have…

Social and Information Networks · Computer Science 2020-10-28 Chaoyang He , Tian Xie , Yu Rong , Wenbing Huang , Junzhou Huang , Xiang Ren , Cyrus Shahabi

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

We propose an Attention Enhanced Join-Graph Neural Networks(Attn-JGNN) model for solving #SAT problems, which significantly improves the solving accuracy. Inspired by the Iterative Join Graph Propagation (IJGP) algorithm, Attn-JGNN uses…

Machine Learning · Computer Science 2026-01-16 Jixin Zhang
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