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Graph neural networks (GNNs) demonstrate great performance in compound property and activity prediction due to their capability to efficiently learn complex molecular graph structures. However, two main limitations persist including…

Biomolecules · Quantitative Biology 2023-10-10 Apakorn Kengkanna , Masahito Ohue

Multimodal datasets contain an enormous amount of relational information, which grows exponentially with the introduction of new modalities. Learning representations in such a scenario is inherently complex due to the presence of multiple…

Machine Learning · Computer Science 2019-09-24 Devanshu Arya , Stevan Rudinac , Marcel Worring

Representation learning on heterogeneous graphs aims to obtain meaningful node representations to facilitate various downstream tasks, such as node classification and link prediction. Existing heterogeneous graph learning methods are…

Machine Learning · Computer Science 2022-04-19 Le Yu , Leilei Sun , Bowen Du , Chuanren Liu , Weifeng Lv , Hui Xiong

Graph representation learning is to learn universal node representations that preserve both node attributes and structural information. The derived node representations can be used to serve various downstream tasks, such as node…

Machine Learning · Computer Science 2020-11-16 Yuxiang Ren , Bo Liu , Chao Huang , Peng Dai , Liefeng Bo , Jiawei Zhang

Graph Neural Networks (GNNs) are recently proposed neural network structures for the processing of graph-structured data. Due to their employed neighbor aggregation strategy, existing GNNs focus on capturing node-level information and…

Machine Learning · Computer Science 2022-01-05 Xing Ai , Chengyu Sun , Zhihong Zhang , Edwin R Hancock

Graph neural networks (GNNs) have emerged as a promising solution to deal with unstructured data, outperforming traditional deep learning architectures. However, most of the current GNN models are designed to work with a single graph, which…

Machine Learning · Computer Science 2024-11-11 Victor M. Tenorio , Antonio G. Marques

In recent years, unsupervised and self-supervised graph representation learning has gained popularity in the research community. However, most proposed methods are focused on homogeneous networks, whereas real-world graphs often contain…

Machine Learning · Computer Science 2024-02-29 Piotr Bielak , Tomasz Kajdanowicz

Graph representation learning based on graph neural networks (GNNs) can greatly improve the performance of downstream tasks, such as node and graph classification. However, the general GNN models do not aggregate node information in a…

Machine Learning · Computer Science 2020-07-30 Fei Ding , Xiaohong Zhang , Justin Sybrandt , Ilya Safro

In recent years, there has been a surge of interest in developing deep learning methods for non-Euclidean structured data such as graphs. In this paper, we propose Dual-Primal Graph CNN, a graph convolutional architecture that alternates…

Hypergraphs provide an effective modeling approach for modeling high-order relationships in many real-world datasets. To capture such complex relationships, several hypergraph neural networks have been proposed for learning hypergraph…

Machine Learning · Computer Science 2024-04-08 Rongping Ye , Xiaobing Pei , Haoran Yang , Ruiqi Wang

Recently, graph Convolutional Neural Networks (graph CNNs) have been widely used for graph data representation and semi-supervised learning tasks. However, existing graph CNNs generally use a fixed graph which may be not optimal for…

Computer Vision and Pattern Recognition · Computer Science 2018-11-27 Bo Jiang , Ziyan Zhang , Doudou Lin , Jin Tang

Dynamic graphs (DG) describe dynamic interactions between entities in many practical scenarios. Most existing DG representation learning models combine graph convolutional network and sequence neural network, which model spatial-temporal…

Machine Learning · Computer Science 2024-01-17 Ling Wang , Ye Yuan

Graph representation learning aims to effectively encode high-dimensional sparse graph-structured data into low-dimensional dense vectors, which is a fundamental task that has been widely studied in a range of fields, including machine…

There are many real-world knowledge based networked systems with multi-type interacting entities that can be regarded as heterogeneous networks including human connections and biological evolutions. One of the main issues in such networks…

Social and Information Networks · Computer Science 2019-11-05 Soheila Molaei , Hadi Zare , Hadi Veisi

Mining graph data has become a popular research topic in computer science and has been widely studied in both academia and industry given the increasing amount of network data in the recent years. However, the huge amount of network data…

Machine Learning · Computer Science 2020-01-03 Wenwu Zhu , Xin Wang , Peng Cui

Multiplex networks are complex graph structures in which a set of entities are connected to each other via multiple types of relations, each relation representing a distinct layer. Such graphs are used to investigate many complex…

Graph convolutional neural networks (GCN) have been the model of choice for graph representation learning, which is mainly due to the effective design of graph convolution that computes the representation of a node by aggregating those of…

Machine Learning · Computer Science 2021-06-10 Qimai Li , Xiaotong Zhang , Han Liu , Quanyu Dai , Xiao-Ming Wu

In this article we show the duality between tensor networks and undirected graphical models with discrete variables. We study tensor networks on hypergraphs, which we call tensor hypernetworks. We show that the tensor hypernetwork on a…

Statistics Theory · Mathematics 2017-10-05 Elina Robeva , Anna Seigal

Graph classification has gained significant attention due to its applications in chemistry, social networks, and bioinformatics. While Graph Neural Networks (GNNs) effectively capture local structural patterns, they often overlook global…

Machine Learning · Computer Science 2025-12-03 Ahmet Sami Korkmaz , Selim Coskunuzer , Md Joshem Uddin

Graphs are the most ubiquitous form of structured data representation used in machine learning. They model, however, only pairwise relations between nodes and are not designed for encoding the higher-order relations found in many real-world…

Machine Learning · Computer Science 2020-10-12 Devanshu Arya , Deepak K. Gupta , Stevan Rudinac , Marcel Worring