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Many successful learning algorithms have been recently developed to represent graph-structured data. For example, Graph Neural Networks (GNNs) have achieved considerable successes in various tasks such as node classification, graph…

Machine Learning · Computer Science 2022-04-12 Razieh Ghiasi , Hossein Amirkhani , Alireza Bosaghzadeh

We consider the problem of learning distance-based Graph Convolutional Networks (GCNs) for relational data. Specifically, we first embed the original graph into the Euclidean space $\mathbb{R}^m$ using a relational density estimation…

Machine Learning · Computer Science 2021-10-14 Devendra Singh Dhami , Siwen Yan , Sriraam Natarajan

We propose the Interferometric Graph Transform (IGT), which is a new class of deep unsupervised graph convolutional neural network for building graph representations. Our first contribution is to propose a generic, complex-valued spectral…

Machine Learning · Computer Science 2020-06-11 Edouard Oyallon

Understanding the dynamic processes of the glassy system continues to be challenging. Recent advances have shown the power of graph neural networks (GNNs) for determining the correlation between structure and dynamics in the glassy system.…

Disordered Systems and Neural Networks · Physics 2023-10-18 Xiao Jiang , Zean Tian , Kenli Li

Graph Representation Learning (GRL) is a fundamental task in machine learning, aiming to encode high-dimensional graph-structured data into low-dimensional vectors. Self-Supervised Learning (SSL) methods are widely used in GRL because they…

Machine Learning · Computer Science 2025-06-13 Shifeng Xie , Aref Einizade , Jhony H. Giraldo

Motivation: Despite its great success in various physical modeling, differential geometry (DG) has rarely been devised as a versatile tool for analyzing large, diverse and complex molecular and biomolecular datasets due to the limited…

Quantitative Methods · Quantitative Biology 2018-06-12 Duc Duy Nguyen , Guo-Wei Wei

Most previous heterogeneous graph embedding models represent elements in a heterogeneous graph as vector representations in a low-dimensional Euclidean space. However, because heterogeneous graphs inherently possess complex structures, such…

Machine Learning · Computer Science 2024-04-16 Jongmin Park , Seunghoon Han , Soohwan Jeong , Sungsu Lim

Graph Neural Networks have shown excellent performance on semi-supervised classification tasks. However, they assume access to a graph that may not be often available in practice. In the absence of any graph, constructing k-Nearest Neighbor…

Machine Learning · Computer Science 2021-02-23 Vijay Lingam , Arun Iyer , Rahul Ragesh

Deep learning models are often considered black boxes due to their complex hierarchical transformations. Identifying suitable architectures is crucial for maximizing predictive performance with limited data. Understanding the geometric…

Machine Learning · Computer Science 2025-03-11 Michael Wienczkowski , Addisu Desta , Paschal Ugochukwu

Lattice Hamiltonian systems underpin models across condensed matter, nonlinear optics, and biophysics, yet learning their dynamics from data is obstructed by two unknowns: the interaction topology and whether node dynamics are homogeneous.…

Machine Learning · Computer Science 2026-04-28 Ru Geng , Panayotis Kevrekidis , Yixian Gao , Hong-Kun Zhang , Jian Zu

Graph-based social recommendation systems have shown significant promise in enhancing recommendation performance, particularly in addressing the issue of data sparsity in user behaviors. Typically, these systems leverage Graph Neural…

Information Retrieval · Computer Science 2025-04-29 Yonghui Yang , Le Wu , Yuxin Liao , Zhuangzhuang He , Pengyang Shao , Richang Hong , Meng Wang

Graph contrastive learning (GCL) aims to align the positive features while differentiating the negative features in the latent space by minimizing a pair-wise contrastive loss. As the embodiment of an outstanding discriminative unsupervised…

Machine Learning · Computer Science 2023-12-27 Jiangmeng Li , Yifan Jin , Hang Gao , Wenwen Qiang , Changwen Zheng , Fuchun Sun

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…

Machine Learning · Computer Science 2023-02-20 Konstantin Klemmer , Nathan Safir , Daniel B. Neill

Graph Transformer (GT) has recently emerged as a promising neural network architecture for learning graph-structured data. However, its global attention mechanism with quadratic complexity concerning the graph scale prevents wider…

Machine Learning · Computer Science 2024-12-09 Ningyi Liao , Zihao Yu , Siqiang Luo

Hyperbolic spaces have recently gained momentum in the context of machine learning due to their high capacity and tree-likeliness properties. However, the representational power of hyperbolic geometry is not yet on par with Euclidean…

Machine Learning · Computer Science 2018-06-29 Octavian-Eugen Ganea , Gary Bécigneul , Thomas Hofmann

Accurately predicting drug-target interactions (DTIs) is pivotal for advancing drug discovery and target validation techniques. While machine learning approaches including those that are based on Graph Neural Networks (GNN) have achieved…

Machine Learning · Computer Science 2025-09-30 Yuehua Song , Yong Gao

Geodesic distances on manifolds have numerous applications in image processing, computer graphics and computer vision. In this work, we introduce an approach called `LGGD' (Learned Generalized Geodesic Distances). This method involves…

Machine Learning · Computer Science 2025-03-10 Amitoz Azad , Yuan Fang

Graph convolution operators bring the advantages of deep learning to a variety of graph and mesh processing tasks previously deemed out of reach. With their continued success comes the desire to design more powerful architectures, often by…

Computer Vision and Pattern Recognition · Computer Science 2020-04-07 Shunwang Gong , Mehdi Bahri , Michael M. Bronstein , Stefanos Zafeiriou

The growing popularity of Graph Representation Learning (GRL) methods has resulted in the development of a large number of models applied to a miscellany of domains. Behind this diversity of domains, there is a strong heterogeneity of…

Machine Learning · Computer Science 2022-05-20 Pierre Sevestre , Marine Neyret

Due to their flexibility to represent almost any kind of relational data, graph-based models have enjoyed a tremendous success over the past decades. While graphs are inherently only combinatorial objects, however, many prominent analysis…

Social and Information Networks · Computer Science 2024-03-27 Michaël Fanuel , Antoine Aspeel , Michael T. Schaub , Jean-Charles Delvenne
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