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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…

Machine Learning · Computer Science 2021-12-15 Robin Winter , Frank Noé , Djork-Arné Clevert

We explore the use of graph neural networks (GNNs) to model spatial processes in which there is no a priori graphical structure. Similar to finite element analysis, we assign nodes of a GNN to spatial locations and use a computational…

Machine Learning · Computer Science 2019-11-19 Ferran Alet , Adarsh K. Jeewajee , Maria Bauza , Alberto Rodriguez , Tomas Lozano-Perez , Leslie Pack Kaelbling

Graph representation learning has attracted much attention in supporting high quality candidate search at scale. Despite its effectiveness in learning embedding vectors for objects in the user-item interaction network, the computational…

Information Retrieval · Computer Science 2020-03-05 Qiaoyu Tan , Ninghao Liu , Xing Zhao , Hongxia Yang , Jingren Zhou , Xia Hu

We propose a general modeling and inference framework that composes probabilistic graphical models with deep learning methods and combines their respective strengths. Our model family augments graphical structure in latent variables with…

Machine Learning · Statistics 2017-07-10 Matthew J. Johnson , David Duvenaud , Alexander B. Wiltschko , Sandeep R. Datta , Ryan P. Adams

Following the success of deep convolutional networks in various vision and speech related tasks, researchers have started investigating generalizations of the well-known technique for graph-structured data. A recently-proposed method called…

Social and Information Networks · Computer Science 2018-09-21 John Boaz Lee , Ryan A. Rossi , Xiangnan Kong , Sungchul Kim , Eunyee Koh , Anup Rao

Graph neural networks based on iterative one-hop message passing have been shown to struggle in harnessing the information from distant nodes effectively. Conversely, graph transformers allow each node to attend to all other nodes directly,…

Machine Learning · Computer Science 2024-06-06 Yuhui Ding , Antonio Orvieto , Bobby He , Thomas Hofmann

Graphs are a powerful data structure for representing relational data and are widely used to describe complex real-world systems. Probabilistic Graphical Models (PGMs) and Graph Neural Networks (GNNs) can both leverage graph-structured…

Machine Learning · Statistics 2025-08-26 Michela Lapenna , Caterina De Bacco

Benefiting from the injection of human prior knowledge, graphs, as derived discrete data, are semantically dense so that models can efficiently learn the semantic information from such data. Accordingly, graph neural networks (GNNs) indeed…

Machine Learning · Computer Science 2023-05-25 Hang Gao , Jiangmeng Li , Wenwen Qiang , Lingyu Si , Xingzhe Su , Fengge Wu , Changwen Zheng , Fuchun Sun

The computation of distance measures between nodes in graphs is inefficient and does not scale to large graphs. We explore dense vector representations as an effective way to approximate the same information: we introduce a simple yet…

Computation and Language · Computer Science 2019-06-18 Andrey Kutuzov , Mohammad Dorgham , Oleksiy Oliynyk , Chris Biemann , Alexander Panchenko

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

A variety of graph neural networks (GNNs) frameworks for representation learning on graphs have been recently developed. These frameworks rely on aggregation and iteration scheme to learn the representation of nodes. However, information…

Machine Learning · Computer Science 2020-03-25 Xinhan Di , Pengqian Yu , Rui Bu , Mingchao Sun

In this work, we propose an end-to-end graph network that learns forward and inverse models of particle-based physics using interpretable inductive biases. Physics-informed neural networks are often engineered to solve specific problems…

Machine Learning · Computer Science 2022-02-01 Sakthi Kumar Arul Prakash , Conrad Tucker

Graph neural networks operate on graph-structured data via exchanging messages along edges. One limitation of this message passing paradigm is the over-squashing problem. Over-squashing occurs when messages from a node's expanded receptive…

Machine Learning · Computer Science 2023-11-15 Thomas Christie , Yu He

Computing latent representations for graph-structured data is an ubiquitous learning task in many industrial and academic applications ranging from molecule synthetization to social network analysis and recommender systems. Knowledge graphs…

Neural and Evolutionary Computing · Computer Science 2023-08-25 Victor Caceres Chian , Marcel Hildebrandt , Thomas Runkler , Dominik Dold

Variational inference algorithms such as belief propagation have had tremendous impact on our ability to learn and use graphical models, and give many insights for developing or understanding exact and approximate inference. However,…

Artificial Intelligence · Computer Science 2012-10-19 Qiang Liu , Alexander T. Ihler

Graph neural networks (GNNs) learn to represent nodes by aggregating information from their neighbors. As GNNs increase in depth, their receptive field grows exponentially, leading to high memory costs. Several existing methods address this…

Machine Learning · Computer Science 2025-07-16 Taraneh Younesian , Daniel Daza , Emile van Krieken , Thiviyan Thanapalasingam , Peter Bloem

Topological features based on persistent homology capture high-order structural information so as to augment graph neural network methods. However, computing extended persistent homology summaries remains slow for large and dense graphs and…

Machine Learning · Computer Science 2022-11-16 Zuoyu Yan , Tengfei Ma , Liangcai Gao , Zhi Tang , Yusu Wang , Chao Chen

We propose Embedding Propagation (EP), an unsupervised learning framework for graph-structured data. EP learns vector representations of graphs by passing two types of messages between neighboring nodes. Forward messages consist of label…

Machine Learning · Computer Science 2017-10-10 Alberto Garcia-Duran , Mathias Niepert

Many knowledge graph embedding methods operate on triples and are therefore implicitly limited by a very local view of the entire knowledge graph. We present a new framework MOHONE to effectively model higher order network effects in…

Computation and Language · Computer Science 2018-11-02 Hao Yu , Vivek Kulkarni , William Wang

Graph neural networks (GNNs) have been extensively studied for prediction tasks on graphs. As pointed out by recent studies, most GNNs assume local homophily, i.e., strong similarities in local neighborhoods. This assumption however limits…

Machine Learning · Computer Science 2021-10-04 Sean Li , Dongwoo Kim , Qing Wang
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