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Nowadays the development of new functional materials/chemical compounds using machine learning (ML) techniques is a hot topic and includes several crucial steps, one of which is the choice of chemical structure representation. Classical…

Computational Physics · Physics 2020-06-11 Vadim Korolev , Artem Mitrofanov , Alexandru Korotcov , Valery Tkachenko

Graphs play an important role in many applications. Recently, Graph Neural Networks (GNNs) have achieved promising results in graph analysis tasks. Some state-of-the-art GNN models have been proposed, e.g., Graph Convolutional Networks…

Machine Learning · Computer Science 2021-09-29 Yaoman Li , Irwin King

Graph neural networks (GNNs) are emerging for machine learning research on graph-structured data. GNNs achieve state-of-the-art performance on many tasks, but they face scalability challenges when it comes to real-world applications that…

Machine Learning · Computer Science 2026-04-02 Shichang Zhang , Atefeh Sohrabizadeh , Cheng Wan , Zijie Huang , Ziniu Hu , Yewen Wang , Yingyan , Lin , Jason Cong , Yizhou Sun

Graph neural network (GNN) is a deep model for graph representation learning. One advantage of graph neural network is its ability to incorporate node features into the learning process. However, this prevents graph neural network from…

Machine Learning · Computer Science 2019-11-21 Chi Thang Duong , Thanh Dat Hoang , Ha The Hien Dang , Quoc Viet Hung Nguyen , Karl Aberer

We introduce a family of multilayer graph kernels and establish new links between graph convolutional neural networks and kernel methods. Our approach generalizes convolutional kernel networks to graph-structured data, by representing…

Machine Learning · Statistics 2020-06-30 Dexiong Chen , Laurent Jacob , Julien Mairal

Graphs are fundamental data structures for modeling complex interactions in domains such as social networks, molecular structures, and biological systems. Graph-level tasks, which involve predicting properties or labels for entire graphs,…

Machine Learning · Computer Science 2026-04-10 Haoyang Li , Yuming Xu , Alexander Zhou , Yongqi Zhang , Jason Chen Zhang , Lei Chen , Qing Li

Graph-structured data is ubiquitous in practice and often processed using graph neural networks (GNNs). With the adoption of recent laws ensuring the ``right to be forgotten'', the problem of graph data removal has become of significant…

Machine Learning · Computer Science 2022-11-01 Eli Chien , Chao Pan , Olgica Milenkovic

Fake news on social media is increasingly regarded as one of the most concerning issues. Low cost, simple accessibility via social platforms, and a plethora of low-budget online news sources are some of the factors that contribute to the…

Machine Learning · Computer Science 2022-03-29 Fahim Belal Mahmud , Mahi Md. Sadek Rayhan , Mahdi Hasan Shuvo , Islam Sadia , Md. Kishor Morol

In this paper, we introduce CrimeGNN, a novel application of Graph Neural Networks (GNNs) specifically designed to uncover hidden communities within criminal networks. As criminal activities increasingly rely on complex network structures,…

Social and Information Networks · Computer Science 2023-11-30 Chen Yang

Deep learning has revolutionized many machine learning tasks in recent years, ranging from image classification and video processing to speech recognition and natural language understanding. The data in these tasks are typically represented…

Machine Learning · Computer Science 2020-03-27 Zonghan Wu , Shirui Pan , Fengwen Chen , Guodong Long , Chengqi Zhang , Philip S. Yu

The application of deep learning techniques for predicting stock market prices is a prominent and widely researched topic in the field of data science. To effectively predict market trends, it is essential to utilize a diversified dataset.…

Computational Finance · Quantitative Finance 2024-07-18 Yuhui Jin

A graph neural network (GNN) for image understanding based on multiple cues is proposed in this paper. Compared to traditional feature and decision fusion approaches that neglect the fact that features can interact and exchange information,…

Computer Vision and Pattern Recognition · Computer Science 2020-03-02 Xin Guo , Luisa F. Polania , Bin Zhu , Charles Boncelet , Kenneth E. Barner

The exploration of Graph Neural Networks (GNNs) for processing graph-structured data has expanded, particularly their potential for causal analysis due to their universal approximation capabilities. Anticipated to significantly enhance…

Machine Learning · Computer Science 2024-01-30 Simi Job , Xiaohui Tao , Taotao Cai , Lin Li , Haoran Xie , Jianming Yong

Fraud detection problems are usually formulated as a machine learning problem on a graph. Recently, Graph Neural Networks (GNNs) have shown solid performance on fraud detection. The successes of most previous methods heavily rely on rich…

Machine Learning · Computer Science 2021-10-05 Chen Wang , Yingtong Dou , Min Chen , Jia Chen , Zhiwei Liu , Philip S. Yu

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

Causality can be described in terms of a structural causal model (SCM) that carries information on the variables of interest and their mechanistic relations. For most processes of interest the underlying SCM will only be partially…

Machine Learning · Computer Science 2021-10-26 Matej Zečević , Devendra Singh Dhami , Petar Veličković , Kristian Kersting

Company profiling is an analytical process to build an indepth understanding of company's fundamental characteristics. It serves as an effective way to gain vital information of the target company and acquire business intelligence.…

Information Retrieval · Computer Science 2017-12-11 Hao Lin , Hengshu Zhu , Yuan Zuo , Chen Zhu , Junjie Wu , Hui Xiong

An increasing number of machine learning tasks require dealing with large graph datasets, which capture rich and complex relationship among potentially billions of elements. Graph Neural Network (GNN) becomes an effective way to address the…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-02-26 Rong Zhu , Kun Zhao , Hongxia Yang , Wei Lin , Chang Zhou , Baole Ai , Yong Li , Jingren Zhou

In this paper, we discuss how modern deep learning approaches can be applied to the credit scoring of bank clients. We show that information about connections between clients based on money transfers between them allows us to significantly…

Machine Learning · Statistics 2020-10-01 Ivan Sukharev , Valentina Shumovskaia , Kirill Fedyanin , Maxim Panov , Dmitry Berestnev

The mining and exploitation of graph structural information have been the focal points in the study of complex networks. Traditional structural measures in Network Science focus on the analysis and modelling of complex networks from the…

Social and Information Networks · Computer Science 2023-06-21 Mingshan Jia , Bogdan Gabrys , Katarzyna Musial