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Recently a variety of methods have been developed to encode graphs into low-dimensional vectors that can be easily exploited by machine learning algorithms. The majority of these methods start by embedding the graph nodes into a…

机器学习 · 计算机科学 2018-09-13 Yu Jin , Joseph F. JaJa

Deep neural networks (DNNs) achieve state-of-the-art performance on many tasks, but this often requires increasingly larger model sizes, which in turn leads to more complex internal representations. Explainability techniques (XAI) have made…

机器学习 · 计算机科学 2026-01-30 Tom Pelletreau-Duris , Ruud van Bakel , Michael Cochez

Graphs representation learning has been a very active research area in recent years. The goal of graph representation learning is to generate graph representation vectors that capture the structure and features of large graphs accurately.…

机器学习 · 计算机科学 2022-06-16 Shima Khoshraftar , Aijun An

Graph Neural Networks (GNN) have shown a strong potential to be integrated into commercial products for network control and management. Early works using GNN have demonstrated an unprecedented capability to learn from different network…

网络与互联网体系结构 · 计算机科学 2021-10-05 Miquel Ferriol-Galmés , José Suárez-Varela , Krzysztof Rusek , Pere Barlet-Ros , Albert Cabellos-Aparicio

Graph neural networks (GNNs) are designed to extract latent patterns from graph-structured data, making them particularly well suited for crystal representation learning. Here, we propose a GNN model tailored for estimating electronic…

材料科学 · 物理学 2026-04-07 Yuxuan Zeng , Wei Cao , Yijing Zuo , Fang Lyu , Wenhao Xie , Tan Peng , Yue Hou , Ling Miao , Ziyu Wang , Jing Shi

Graph Neural Networks (GNNs) have emerged as a notorious alternative to address learning problems dealing with non-Euclidean datasets. However, although most works assume that the graph is perfectly known, the observed topology is prone to…

机器学习 · 计算机科学 2023-12-12 Victor M. Tenorio , Samuel Rey , Antonio G. Marques

Graph Neural Networks (GNNs) are a framework for graph representation learning, where a model learns to generate low dimensional node embeddings that encapsulate structural and feature-related information. GNNs are usually trained in an…

机器学习 · 计算机科学 2020-12-15 Davide Buffelli , Fabio Vandin

Neural embeddings have been used with great success in Natural Language Processing (NLP). They provide compact representations that encapsulate word similarity and attain state-of-the-art performance in a range of linguistic tasks. The…

机器学习 · 统计学 2018-09-20 Benjamin Paul Chamberlain , James Clough , Marc Peter Deisenroth

Graph Neural Networks (GNNs) are a powerful representational tool for solving problems on graph-structured inputs. In almost all cases so far, however, they have been applied to directly recovering a final solution from raw inputs, without…

机器学习 · 统计学 2020-01-16 Petar Veličković , Rex Ying , Matilde Padovano , Raia Hadsell , Charles Blundell

The progress in hyperbolic neural networks (HNNs) research is hindered by their absence of inductive bias mechanisms, which are essential for generalizing to new tasks and facilitating scalable learning over large datasets. In this paper,…

机器学习 · 计算机科学 2023-10-31 Nurendra Choudhary , Nikhil Rao , Chandan K. Reddy

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

Graph neural networks (GNNs) have become the standard learning architectures for graphs. GNNs have been applied to numerous domains ranging from quantum chemistry, recommender systems to knowledge graphs and natural language processing. A…

机器学习 · 计算机科学 2022-02-11 Vijay Prakash Dwivedi , Anh Tuan Luu , Thomas Laurent , Yoshua Bengio , Xavier Bresson

Most graph neural networks (GNNs) are prone to the phenomenon of over-squashing in which node features become insensitive to information from distant nodes in the graph. Recent works have shown that the topology of the graph has the…

机器学习 · 计算机科学 2023-11-30 Julia Balla

Hyperbolic graph convolutional networks (GCNs) demonstrate powerful representation ability to model graphs with hierarchical structure. Existing hyperbolic GCNs resort to tangent spaces to realize graph convolution on hyperbolic manifolds,…

机器学习 · 计算机科学 2021-04-15 Jindou Dai , Yuwei Wu , Zhi Gao , Yunde Jia

Hypergraph, an expressive structure with flexibility to model the higher-order correlations among entities, has recently attracted increasing attention from various research domains. Despite the success of Graph Neural Networks (GNNs) for…

机器学习 · 计算机科学 2021-05-04 Jing Huang , Jie Yang

The difficult problem of relating the static structure of glassy liquids and their dynamics is a good target for Machine Learning, an approach which excels at finding complex patterns hidden in data. Indeed, this approach is currently a hot…

软凝聚态物质 · 物理学 2024-05-29 Francesco Saverio Pezzicoli , Guillaume Charpiat , François P. Landes

In this work, we introduce a hypergraph representation learning framework called Hypergraph Neural Networks (HNN) that jointly learns hyperedge embeddings along with a set of hyperedge-dependent embeddings for each node in the hypergraph.…

机器学习 · 计算机科学 2023-01-02 Ryan Aponte , Ryan A. Rossi , Shunan Guo , Jane Hoffswell , Nedim Lipka , Chang Xiao , Gromit Chan , Eunyee Koh , Nesreen Ahmed

Graph Neural Networks (GNNs) have paved the way for being a cornerstone in graph-related learning tasks. Yet, the ability of GNNs to capture structural interactions within graphs remains under-explored. In this work, we address this gap by…

机器学习 · 计算机科学 2025-03-04 Asela Hevapathige , Qing Wang

Classical graph algorithms work well for combinatorial problems that can be thoroughly formalized and abstracted. Once the algorithm is derived, it generalizes to instances of any size. However, developing an algorithm that handles complex…

机器学习 · 计算机科学 2022-12-12 Florian Grötschla , Joël Mathys , Roger Wattenhofer

Lots of learning tasks require dealing with graph data which contains rich relation information among elements. Modeling physics systems, learning molecular fingerprints, predicting protein interface, and classifying diseases demand a model…

机器学习 · 计算机科学 2021-10-07 Jie Zhou , Ganqu Cui , Shengding Hu , Zhengyan Zhang , Cheng Yang , Zhiyuan Liu , Lifeng Wang , Changcheng Li , Maosong Sun