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Biomolecular graph analysis has recently gained much attention in the emerging field of geometric deep learning. Here we focus on organizing biomolecular graphs in ways that expose meaningful relations and variations between them. We…

机器学习 · 计算机科学 2022-03-29 Egbert Castro , Andrew Benz , Alexander Tong , Guy Wolf , Smita Krishnaswamy

Semi-implicit graph variational auto-encoder (SIG-VAE) is proposed to expand the flexibility of variational graph auto-encoders (VGAE) to model graph data. SIG-VAE employs a hierarchical variational framework to enable neighboring node…

Link Prediction (LP) is a crucial problem in graph-structured data. Graph Neural Networks (GNNs) have gained prominence in LP, with Graph AutoEncoders (GAEs) being a notable representation. However, our empirical findings reveal that GAEs'…

机器学习 · 计算机科学 2025-02-11 Yunhui Liu , Huaisong Zhang , Xinyi Gao , Liuye Guo , Zhen Tao , Tieke He

Self-supervised learning has been a powerful training paradigm to facilitate representation learning. In this study, we design a masked autoencoder (MAE) to guide deep learning models to learn electroencephalography (EEG) signal…

人机交互 · 计算机科学 2024-09-04 Yifei Zhou , Sitong Liu

Graph representation learning embeds nodes in large graphs as low-dimensional vectors and is of great benefit to many downstream applications. Most embedding frameworks, however, are inherently transductive and unable to generalize to…

机器学习 · 计算机科学 2020-02-27 Huiling Zhu , Xin Luo , Hankz Hankui Zhuo

In this paper, we propose Multiresolution Equivariant Graph Variational Autoencoders (MGVAE), the first hierarchical generative model to learn and generate graphs in a multiresolution and equivariant manner. At each resolution level, MGVAE…

机器学习 · 计算机科学 2022-06-30 Truong Son Hy , Risi Kondor

Learning network representations is a fundamental task for many graph applications such as link prediction, node classification, graph clustering, and graph visualization. Many real-world networks are interpreted as dynamic networks and…

机器学习 · 计算机科学 2019-10-07 Sedigheh Mahdavi , Shima Khoshraftar , Aijun An

Graph alignment, the problem of identifying corresponding nodes across multiple graphs, is fundamental to numerous applications. Most existing unsupervised methods embed node features into latent representations to enable cross-graph…

机器学习 · 计算机科学 2025-09-30 Maysam Behmanesh , Erkan Turan , Maks Ovsjanikov

Graph neural networks (GNNs) provide a powerful and scalable solution for modeling continuous spatial data. However, they often rely on Euclidean distances to construct the input graphs. This assumption can be improbable in many real-world…

机器学习 · 计算机科学 2023-02-20 Konstantin Klemmer , Nathan Safir , Daniel B. Neill

Variational Graph Autoencoders (VGAEs) are powerful models for unsupervised learning of node representations from graph data. In this work, we systematically analyze modeling node attributes in VGAEs and show that attribute decoding is…

机器学习 · 计算机科学 2022-12-06 Xiaohui Chen , Xi Chen , Liping Liu

We show that viewing graphs as sets of node features and incorporating structural and positional information into a transformer architecture is able to outperform representations learned with classical graph neural networks (GNNs). Our…

机器学习 · 计算机科学 2021-06-11 Grégoire Mialon , Dexiong Chen , Margot Selosse , Julien Mairal

Learning-based methods have become increasingly popular for solving vehicle routing problems due to their near-optimal performance and fast inference speed. Among them, the combination of deep reinforcement learning and graph representation…

机器学习 · 计算机科学 2024-05-22 Zhenwei Wang , Ruibin Bai , Fazlullah Khan , Ender Ozcan , Tiehua Zhang

The (variational) graph auto-encoder and its variants have been popularly used for representation learning on graph-structured data. While the encoder is often a powerful graph convolutional network, the decoder reconstructs the graph…

机器学习 · 计算机科学 2019-11-27 Han Shi , Haozheng Fan , James T. Kwok

Detecting intrusions in network traffic is a challenging task, particularly under limited supervision and constantly evolving attack patterns. While recent works have leveraged graph neural networks for network intrusion detection, they…

机器学习 · 计算机科学 2025-12-23 Lorenzo Guerra , Thomas Chapuis , Guillaume Duc , Pavlo Mozharovskyi , Van-Tam Nguyen

In this paper we propose Structuring AutoEncoders (SAE). SAEs are neural networks which learn a low dimensional representation of data which are additionally enriched with a desired structure in this low dimensional space. While traditional…

机器学习 · 计算机科学 2019-08-20 Marco Rudolph , Bastian Wandt , Bodo Rosenhahn

Missing data imputation (MDI) is crucial when dealing with tabular datasets across various domains. Autoencoders can be trained to reconstruct missing values, and graph autoencoders (GAE) can additionally consider similar patterns in the…

机器学习 · 计算机科学 2022-10-20 Lev Telyatnikov , Simone Scardapane

Network alignment is the task of establishing one-to-one correspondences between the nodes of different graphs. Although finding a plethora of applications in high-impact domains, this task is known to be NP-hard in its general form.…

机器学习 · 计算机科学 2024-11-20 Jiashu He , Charilaos I. Kanatsoulis , Alejandro Ribeiro

Graph embedding is a powerful method to represent graph neurological data (e.g., brain connectomes) in a low dimensional space for brain connectivity mapping, prediction and classification. However, existing embedding algorithms have two…

计算机视觉与模式识别 · 计算机科学 2020-09-25 Alin Banka , Inis Buzi , Islem Rekik

Periodic graphs are graphs consisting of repetitive local structures, such as crystal nets and polygon mesh. Their generative modeling has great potential in real-world applications such as material design and graphics synthesis. Classical…

机器学习 · 计算机科学 2022-10-07 Shiyu Wang , Xiaojie Guo , Liang Zhao

Invertible transformation of large graphs into fixed dimensional vectors (embeddings) remains a challenge. Its overcoming would reduce any operation on graphs to an operation in a vector space. However, most existing methods are limited to…

机器学习 · 计算机科学 2022-07-12 Adam Małkowski , Jakub Grzechociński , Paweł Wawrzyński