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Although substantial efforts have been made using graph neural networks (GNNs) for AI-driven drug discovery (AIDD), effective molecular representation learning remains an open challenge, especially in the case of insufficient labeled…

机器学习 · 计算机科学 2023-11-07 Zhen Wang , Zheng Feng , Yanjun Li , Bowen Li , Yongrui Wang , Chulin Sha , Min He , Xiaolin Li

Graph neural networks have been used for a variety of learning tasks, such as link prediction, node classification, and node clustering. Among them, link prediction is a relatively under-studied graph learning task, with current…

机器学习 · 计算机科学 2022-08-29 Xinxing Wu , Qiang Cheng

Graph auto-encoders have proved to be useful in network embedding task. However, current models only consider explicit structures and fail to explore the informative latent structures cohered in networks. To address this issue, we propose a…

机器学习 · 计算机科学 2021-10-01 Minglong Lei , Yong Shi , Lingfeng Niu

The aim of this paper is to propose distributed strategies for adaptive learning of signals defined over graphs. Assuming the graph signal to be bandlimited, the method enables distributed reconstruction, with guaranteed performance in…

机器学习 · 计算机科学 2017-08-02 P. Di Lorenzo , P. Banelli , S. Barbarossa , S. Sardellitti

Masked Autoencoders is a simple yet powerful self-supervised learning method. However, it learns representations indirectly by reconstructing masked input patches. Several methods learn representations directly by predicting representations…

音频与语音处理 · 电气工程与系统科学 2023-03-03 Daisuke Niizumi , Daiki Takeuchi , Yasunori Ohishi , Noboru Harada , Kunio Kashino

This paper looks at the task of network topology inference, where the goal is to learn an unknown graph from nodal observations. One of the novelties of the approach put forth is the consideration of prior information about the density of…

信号处理 · 电气工程与系统科学 2022-07-12 Samuel Rey , T. Mitchell Roddenberry , Santiago Segarra , Antonio G. Marques

We propose a novel neural network architecture, called autoencoder-constrained graph convolutional network, to solve node classification task on graph domains. As suggested by its name, the core of this model is a convolutional network…

机器学习 · 计算机科学 2021-02-11 Mingyuan Ma , Sen Na , Hongyu Wang

Recently, there has been great success in applying deep neural networks on graph structured data. Most work, however, focuses on either node- or graph-level supervised learning, such as node, link or graph classification or node-level…

机器学习 · 计算机科学 2021-12-15 Robin Winter , Frank Noé , Djork-Arné Clevert

Graph embedding techniques are pivotal in real-world machine learning tasks that operate on graph-structured data, such as social recommendation and protein structure modeling. Embeddings are mostly performed on the node level for learning…

机器学习 · 计算机科学 2022-04-26 Nan Wang , Lu Lin , Jundong Li , Hongning Wang

Graph autoencoders (GAEs) are powerful tools in representation learning for graph embedding. However, the performance of GAEs is very dependent on the quality of the graph structure, i.e., of the adjacency matrix. In other words, GAEs would…

机器学习 · 计算机科学 2021-03-24 Rui Zhang , Yunxing Zhang , Xuelong Li

In view of the fact that semi- and self-supervised learning share a fundamental principle, effectively modeling knowledge from unlabeled data, various semi-supervised semantic segmentation methods have integrated representative…

计算机视觉与模式识别 · 计算机科学 2024-11-15 Yangyang Li , Xuanting Hao , Ronghua Shang , Licheng Jiao

Node representation learning has demonstrated its effectiveness for various applications on graphs. Particularly, recent developments in contrastive learning have led to promising results in unsupervised node representation learning for a…

机器学习 · 计算机科学 2021-06-11 Öykü Deniz Köse , Yanning Shen

Most Graph Neural Networks (GNNs) predict the labels of unseen graphs by learning the correlation between the input graphs and labels. However, by presenting a graph classification investigation on the training graphs with severe bias,…

机器学习 · 计算机科学 2022-09-29 Shaohua Fan , Xiao Wang , Yanhu Mo , Chuan Shi , Jian Tang

Network Intrusion Detection Systems (NIDS) are essential tools for detecting network attacks and intrusions. While extensive research has explored the use of supervised Machine Learning for attack detection and characterisation, these…

密码学与安全 · 计算机科学 2026-04-23 Georgios Anyfantis , Pere Barlet-Ros

Network embedding, which aims to learn low-dimensional representations of nodes, has been used for various graph related tasks including visualization, link prediction and node classification. Most existing embedding methods rely solely on…

社会与信息网络 · 计算机科学 2019-08-22 Palash Goyal , Homa Hosseinmardi , Emilio Ferrara , Aram Galstyan

Unsupervised graph representation learning aims to learn low-dimensional node embeddings without supervision while preserving graph topological structures and node attributive features. Previous graph neural networks (GNN) require a large…

机器学习 · 计算机科学 2020-09-04 Yanqiao Zhu , Yichen Xu , Feng Yu , Shu Wu , Liang Wang

Representation learning has overcome the often arduous and manual featurization of networks through (unsupervised) feature learning as it results in embeddings that can apply to a variety of downstream learning tasks. The focus of…

机器学习 · 计算机科学 2021-01-01 Piotr Bielak , Tomasz Kajdanowicz , Nitesh V. Chawla

Graphs are ubiquitous data structures for representing interactions between entities. With an emphasis on the use of graphs to represent chemical molecules, we explore the task of learning to generate graphs that conform to a distribution…

机器学习 · 计算机科学 2019-03-08 Qi Liu , Miltiadis Allamanis , Marc Brockschmidt , Alexander L. Gaunt

We propose a nonlinear manifold learning technique based on deep convolutional autoencoders that is appropriate for model order reduction of physical systems in complex geometries. Convolutional neural networks have proven to be highly…

计算物理 · 物理学 2021-07-19 John Tencer , Kevin Potter

We examine two fundamental tasks associated with graph representation learning: link prediction and node classification. We present a new autoencoder architecture capable of learning a joint representation of local graph structure and…

机器学习 · 计算机科学 2018-11-08 Phi Vu Tran