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Graph Neural Networks (GNNs), neural network architectures targeted to learning representations of graphs, have become a popular learning model for prediction tasks on nodes, graphs and configurations of points, with wide success in…

机器学习 · 计算机科学 2022-04-19 Stefanie Jegelka

Deep learning has consistently defied state-of-the-art techniques in many fields over the last decade. However, we are just beginning to understand the capabilities of neural learning in symbolic domains. Deep learning architectures that…

机器学习 · 计算机科学 2020-03-10 Henrique Lemos , Marcelo Prates , Pedro Avelar , Luis Lamb

Graph Neural Networks (GNNs) have become a standard approach for learning from graph-structured data. However, their reliance on parametric classifiers (most often linear softmax layers) limits interpretability and sometimes hinders…

机器学习 · 计算机科学 2026-02-03 Zeljko Bolevic , Milos Brajovic , Isidora Stankovic , Ljubisa Stankovic

Contrastive learning on graphs aims at extracting distinguishable high-level representations of nodes. In this paper, we theoretically illustrate that the entropy of a dataset can be approximated by maximizing the lower bound of the mutual…

机器学习 · 计算机科学 2023-07-27 Yixuan Ma , Xiaolin Zhang , Peng Zhang , Kun Zhan

In the brain, the structure of a network of neurons defines how these neurons implement the computations that underlie the mind and the behavior of animals and humans. Provided that we can describe the network of neurons as a graph, we can…

计算机视觉与模式识别 · 计算机科学 2019-07-03 Gustavo Borges Moreno e Mello , Vibeke Devold Valderhaug , Sidney Pontes-Filho , Evi Zouganeli , Ioanna Sandvig , Stefano Nichele

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,…

机器学习 · 计算机科学 2024-05-22 Lequan Lin , Dai Shi , Andi Han , Zhiyong Wang , Junbin Gao

Deep neural networks (DNNs) have achieved significant performance in various tasks. However, recent studies have shown that DNNs can be easily fooled by small perturbation on the input, called adversarial attacks. As the extensions of DNNs…

机器学习 · 计算机科学 2020-12-15 Wei Jin , Yaxin Li , Han Xu , Yiqi Wang , Shuiwang Ji , Charu Aggarwal , Jiliang Tang

Graph structured data, specifically text-attributed graphs (TAG), effectively represent relationships among varied entities. Such graphs are essential for semi-supervised node classification tasks. Graph Neural Networks (GNNs) have emerged…

机器学习 · 计算机科学 2024-04-18 Kaiwen Dong , Zhichun Guo , Nitesh V. Chawla

Graph neural networks trained to predict observable dynamics can be used to decompose the temporal activity of complex heterogeneous systems into simple, interpretable representations. Here we apply this framework to simulated neural…

神经元与认知 · 定量生物学 2026-02-17 Cédric Allier , Larissa Heinrich , Magdalena Schneider , Stephan Saalfeld

Graph neural networks (GNNs) provide powerful insights for brain neuroimaging technology from the view of graphical networks. However, most existing GNN-based models assume that the neuroimaging-produced brain connectome network is a…

机器学习 · 计算机科学 2022-09-30 Gen Shi , Yifan Zhu , Wenjin Liu , Quanming Yao , Xuesong Li

In proof assistants, the physical proximity between two formal mathematical concepts is a strong predictor of their mutual relevance. Furthermore, lemmas with close proximity regularly exhibit similar proof structures. We show that this…

Entity interaction prediction is essential in many important applications such as chemistry, biology, material science, and medical science. The problem becomes quite challenging when each entity is represented by a complex structure,…

机器学习 · 计算机科学 2021-04-13 Hanchen Wang , Defu Lian , Ying Zhang , Lu Qin , Xuemin Lin

Graph Neural Networks (GNNs) have achieved promising performance in semi-supervised node classification in recent years. However, the problem of insufficient supervision, together with representation collapse, largely limits the performance…

机器学习 · 计算机科学 2025-03-07 Xihong Yang , Yiqi Wang , Yue Liu , Yi Wen , Lingyuan Meng , Sihang Zhou , Xinwang Liu , En Zhu

End-to-end training of graph neural networks (GNN) on large graphs presents several memory and computational challenges, and limits the application to shallow architectures as depth exponentially increases the memory and space complexities.…

机器学习 · 计算机科学 2023-09-06 Oscar Pina , Verónica Vilaplana

Cascade prediction aims at modeling information diffusion in the network. Most previous methods concentrate on mining either structural or sequential features from the network and the propagation path. Recent efforts devoted to combining…

机器学习 · 计算机科学 2021-12-08 Yansong Wang , Xiaomeng Wang , Tao Jia

Graph Neural Networks (GNNs) has been widely used in a variety of fields because of their great potential in representing graph-structured data. However, lacking of rigorous uncertainty estimations limits their application in high-stakes.…

机器学习 · 计算机科学 2025-01-07 Ting Wang , Zhixin Zhou , Rui Luo

Relational Deep Learning (RDL) is an emerging paradigm that leverages Graph Neural Network principles to learn directly from relational databases by representing them as heterogeneous graphs. However, existing RDL models typically rely on…

机器学习 · 计算机科学 2025-07-01 Jakub Peleška , Gustav Šír

Traditional computer vision approaches, based on neural networks (NN), are typically trained on a large amount of image data. By minimizing the cross-entropy loss between a prediction and a given class label, the NN and its visual embedding…

计算机视觉与模式识别 · 计算机科学 2021-07-13 Sebastian Monka , Lavdim Halilaj , Stefan Schmid , Achim Rettinger

In this paper, we introduce a self-supervised learning method to enhance the graph-level representations with the help of a set of subgraphs. For this purpose, we propose a universal framework to generate subgraphs in an auto-regressive way…

机器学习 · 计算机科学 2021-05-10 Chenguang Wang , Ziwen Liu

Predicting events such as political protests, flu epidemics, and criminal activities is crucial to proactively taking necessary measures and implementing required responses to address emerging challenges. Capturing contextual information…

社会与信息网络 · 计算机科学 2024-04-25 Muhammed Ifte Khairul Islam , Khaled Mohammed Saifuddin , Tanvir Hossain , Esra Akbas