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We explore different strategies to integrate prior domain knowledge into the design of a deep neural network (DNN). We focus on graph neural networks (GNN), with a use case of estimating the potential energy of chemical systems (molecules…

机器学习 · 计算机科学 2022-08-26 Jay Morgan , Adeline Paiement , Christian Klinke

We propose a novel technique to enhance Knowledge Graph Reasoning by combining Graph Convolution Neural Network (GCN) with the Attention Mechanism. This approach utilizes the Attention Mechanism to examine the relationships between entities…

信息检索 · 计算机科学 2025-03-24 Meera Gupta , Ravi Khanna , Divya Choudhary , Nandini Rao

Benefiting from the injection of human prior knowledge, graphs, as derived discrete data, are semantically dense so that models can efficiently learn the semantic information from such data. Accordingly, graph neural networks (GNNs) indeed…

机器学习 · 计算机科学 2023-05-25 Hang Gao , Jiangmeng Li , Wenwen Qiang , Lingyu Si , Xingzhe Su , Fengge Wu , Changwen Zheng , Fuchun Sun

Graph Neural Networks (GNNs) are an emerging research field. This specialized Deep Neural Network (DNN) architecture is capable of processing graph structured data and bridges the gap between graph processing and Deep Learning (DL). As…

分布式、并行与集群计算 · 计算机科学 2023-05-24 Jana Vatter , Ruben Mayer , Hans-Arno Jacobsen

Graph neural networks (GNNs) are powerful machine learning models designed to handle irregularly structured data. However, their generic design often proves inadequate for analyzing brain connectomes in Alzheimer's Disease (AD),…

机器学习 · 计算机科学 2024-12-10 Zhepeng Wang , Runxue Bao , Yawen Wu , Guodong Liu , Lei Yang , Liang Zhan , Feng Zheng , Weiwen Jiang , Yanfu Zhang

By integrating domain knowledge with labeled samples, informed machine learning has been emerging to improve the learning performance for a wide range of applications. Nonetheless, rigorous understanding of the role of injected domain…

机器学习 · 计算机科学 2022-07-05 Jianyi Yang , Shaolei Ren

Graph Neural Networks (GNNs) are deep learning models that take graph data as inputs, and they are applied to various tasks such as traffic prediction and molecular property prediction. However, owing to the complexity of the GNNs, it has…

机器学习 · 计算机科学 2021-11-02 Tetsu Kasanishi , Xueting Wang , Toshihiko Yamasaki

This paper addresses the problems of missing reasoning chains and insufficient entity-level semantic understanding in large language models when dealing with tasks that require structured knowledge. It proposes a fine-tuning algorithm…

计算与语言 · 计算机科学 2025-08-21 Wuyang Zhang , Yexin Tian , Xiandong Meng , Mengjie Wang , Junliang Du

Graph signal processing represents an important advancement in the field of data analysis, extending conventional signal processing methodologies to complex networks and thereby facilitating the exploration of informative patterns and…

信号处理 · 电气工程与系统科学 2024-06-07 Keivan Faghih Niresi , Lucas Kuhn , Gaëtan Frusque , Olga Fink

Real data collected from different applications that have additional topological structures and connection information are amenable to be represented as a weighted graph. Considering the node labeling problem, Graph Neural Networks (GNNs)…

社会与信息网络 · 计算机科学 2020-02-06 Xiaoxiao Li , Joao Saude

Graph Neural Networks (GNNs), which generalize the deep neural networks to graph-structured data, have achieved great success in modeling graphs. However, as an extension of deep learning for graphs, GNNs lack explainability, which largely…

机器学习 · 计算机科学 2021-08-30 Enyan Dai , Suhang Wang

Graph neural networks (GNNs) are powerful deep learning models for graph-structured data, demonstrating remarkable success across diverse domains. Recently, the database (DB) community has increasingly recognized the potentiality of GNNs,…

数据库 · 计算机科学 2025-02-20 Ziming Li , Youhuan Li , Yuyu Luo , Guoliang Li , Chuxu Zhang

This paper addresses the challenging problem of retrieval and matching of graph structured objects, and makes two key contributions. First, we demonstrate how Graph Neural Networks (GNN), which have emerged as an effective model for various…

机器学习 · 计算机科学 2019-05-14 Yujia Li , Chenjie Gu , Thomas Dullien , Oriol Vinyals , Pushmeet Kohli

Deep learning's performance has been extensively recognized recently. Graph neural networks (GNNs) are designed to deal with graph-structural data that classical deep learning does not easily manage. Since most GNNs were created using…

机器学习 · 计算机科学 2023-09-20 Zhiqian Chen , Fanglan Chen , Lei Zhang , Taoran Ji , Kaiqun Fu , Liang Zhao , Feng Chen , Lingfei Wu , Charu Aggarwal , Chang-Tien Lu

Graph Neural Networks (GNNs), a generalization of deep neural networks on graph data have been widely used in various domains, ranging from drug discovery to recommender systems. However, GNNs on such applications are limited when there are…

机器学习 · 计算机科学 2021-11-09 Debmalya Mandal , Sourav Medya , Brian Uzzi , Charu Aggarwal

Our interest is in scientific problems with the following characteristics: (1) Data are naturally represented as graphs; (2) The amount of data available is typically small; and (3) There is significant domain-knowledge, usually expressed…

机器学习 · 计算机科学 2021-08-17 Tirtharaj Dash , Ashwin Srinivasan , Lovekesh Vig

Lots of learning tasks require dealing with graph data which contains rich relation information among elements. Modeling physics systems, learning molecular fingerprints, predicting protein interface, and classifying diseases demand a model…

机器学习 · 计算机科学 2021-10-07 Jie Zhou , Ganqu Cui , Shengding Hu , Zhengyan Zhang , Cheng Yang , Zhiyuan Liu , Lifeng Wang , Changcheng Li , Maosong Sun

Graph neural networks (GNNs) are powerful graph-based deep-learning models that have gained significant attention and demonstrated remarkable performance in various domains, including natural language processing, drug discovery, and…

机器学习 · 计算机科学 2023-06-06 Jaykumar Kakkad , Jaspal Jannu , Kartik Sharma , Charu Aggarwal , Sourav Medya

Graphs play an important role in representing complex relationships in various domains like social networks, knowledge graphs, and molecular discovery. With the advent of deep learning, Graph Neural Networks (GNNs) have emerged as a…

机器学习 · 计算机科学 2024-06-05 Wenqi Fan , Shijie Wang , Jiani Huang , Zhikai Chen , Yu Song , Wenzhuo Tang , Haitao Mao , Hui Liu , Xiaorui Liu , Dawei Yin , Qing Li

Graph neural networks (GNNs) demonstrate a robust capability for representation learning on graphs with complex structures, showcasing superior performance in various applications. The majority of existing GNNs employ a graph convolution…

机器学习 · 计算机科学 2025-02-19 Jinlu Wang , Jipeng Guo , Yanfeng Sun , Junbin Gao , Shaofan Wang , Yachao Yang , Baocai Yin
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