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In the rapidly evolving landscape of digital assets, the imperative for robust data privacy and compliance with regulatory frameworks has intensified. This paper investigates the critical role of Graph Neural Networks (GNNs) in the…

Machine Learning · Computer Science 2024-09-30 Zara Lisbon

Graph Neural Networks (GNNs) have emerged as the leading paradigm for solving graph analytical problems in various real-world applications. Nevertheless, GNNs could potentially render biased predictions towards certain demographic…

Machine Learning · Computer Science 2022-11-29 Yushun Dong , Song Wang , Jing Ma , Ninghao Liu , Jundong Li

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 introduces Graph Convolutional Recurrent Network (GCRN), a deep learning model able to predict structured sequences of data. Precisely, GCRN is a generalization of classical recurrent neural networks (RNN) to data structured by…

Machine Learning · Statistics 2016-12-23 Youngjoo Seo , Michaël Defferrard , Pierre Vandergheynst , Xavier Bresson

Admittedly, Graph Convolution Network (GCN) has achieved excellent results on graph datasets such as social networks, citation networks, etc. However, softmax used as the decision layer in these frameworks is generally optimized with…

Machine Learning · Computer Science 2022-07-19 Xuelong Li , Ziheng Jiao , Hongyuan Zhang , Rui Zhang

Graph Neural Networks (GNNs) are deep-learning architectures designed for graph-type data, where understanding relationships among individual observations is crucial. However, achieving promising GNN performance, especially on unseen data,…

Machine Learning · Computer Science 2024-05-22 Lequan Lin , Dai Shi , Andi Han , Zhiyong Wang , Junbin Gao

Recent advances in machine learning have demonstrated an enormous utility of deep learning approaches, particularly Graph Neural Networks (GNNs) for materials science. These methods have emerged as powerful tools for high-throughput…

Computational Physics · Physics 2025-05-23 Junchi Liu , Ying Tang , Sergei Tretiak , Wenhui Duan , Liujiang Zhou

Graph Neural Networks (GNNs) are increasingly becoming the favorite method for graph learning. They exploit the semi-supervised nature of deep learning, and they bypass computational bottlenecks associated with traditional graph learning…

Machine Learning · Computer Science 2023-11-08 Mashaan Alshammari , John Stavrakakis , Adel F. Ahmed , Masahiro Takatsuka

Graph distance metric learning serves as the foundation for many graph learning problems, e.g., graph clustering, graph classification and graph matching. Existing research works on graph distance metric (or graph kernels) learning fail to…

Machine Learning · Computer Science 2020-02-11 Jiawei Zhang

There has been a recent surge of interest in using machine learning to approximate density functional theory (DFT) in materials science. However, many of the most performant models are evaluated on large databases of computed properties of,…

Materials Science · Physics 2021-07-02 Filip Ekström , Rickard Armiento , Fredrik Lindsten

Accurately simulating physics is crucial across scientific domains, with applications spanning from robotics to materials science. While traditional mesh-based simulations are precise, they are often computationally expensive and require…

Machine Learning · Computer Science 2025-10-23 Philipp Dahlinger , Tai Hoang , Denis Blessing , Niklas Freymuth , Gerhard Neumann

Graph learning methods have been extensively applied in diverse application areas. However, what kind of inherent graph properties e.g. graph proximity, graph structural information has been encoded into graph representation learning for…

Machine Learning · Computer Science 2024-08-08 Mingyu Zhao , Xingyu Huang , Ziyu Lyu , Yanlin Wang , Lixin Cui , Lu Bai

Graph Neural Networks (GNN) rely on graph convolutions to learn features from network data. GNNs are stable to different types of perturbations of the underlying graph, a property that they inherit from graph filters. In this paper we…

Machine Learning · Computer Science 2022-02-11 Juan Cervino , Luana Ruiz , Alejandro Ribeiro

It is a usual practice to ignore any structural information underlying classes in multi-class classification. In this paper, we propose a graph convolutional network (GCN) augmented neural network classifier to exploit a known, underlying…

Machine Learning · Computer Science 2018-02-23 Meihao Chen , Zhuoru Lin , Kyunghyun Cho

Graph Neural Networks (GNNs) have achieved remarkable success in various applications, but their performance can be sensitive to specific data properties of the graph datasets they operate on. Current literature on understanding the…

Machine Learning · Computer Science 2023-10-31 Ting Wei Li , Qiaozhu Mei , Jiaqi Ma

Matrix completion models are among the most common formulations of recommender systems. Recent works have showed a boost of performance of these techniques when introducing the pairwise relationships between users/items in the form of…

Machine Learning · Computer Science 2017-04-25 Federico Monti , Michael M. Bronstein , Xavier Bresson

Graph unlearning is tailored for GNNs to handle widespread and various graph structure unlearning requests, which remain largely unexplored. The GIF (graph influence function) achieves validity under partial edge unlearning, but faces…

Machine Learning · Computer Science 2025-08-05 Hang Yin , Zipeng Liu , Xiaoyong Peng , Liyao Xiang

Graph Neural Networks (GNNs) have shown success in learning from graph structured data containing node/edge feature information, with application to social networks, recommendation, fraud detection and knowledge graph reasoning. In this…

Machine Learning · Computer Science 2021-11-24 Xiang Song , Runjie Ma , Jiahang Li , Muhan Zhang , David Paul Wipf

Extracting stimulus features from neuronal ensembles is of great interest to the development of neuroprosthetics that project sensory information directly to the brain via electrical stimulation. Machine learning strategies that optimize…

Neurons and Cognition · Quantitative Biology 2020-09-08 Vivek Subramanian , Joshua Khani

Graph generation is a critical task in numerous domains, including molecular design and social network analysis, due to its ability to model complex relationships and structured data. While most modern graph generative models utilize…

Machine Learning · Computer Science 2025-06-04 Xiaohui Chen , Yinkai Wang , Jiaxing He , Yuanqi Du , Soha Hassoun , Xiaolin Xu , Li-Ping Liu