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The current best practice for computing optimal transport (OT) is via entropy regularization and Sinkhorn iterations. This algorithm runs in quadratic time as it requires the full pairwise cost matrix, which is prohibitively expensive for…

Machine Learning · Computer Science 2022-04-06 Johannes Gasteiger , Marten Lienen , Stephan Günnemann

This paper introduces a generalization of Convolutional Neural Networks (CNNs) from low-dimensional grid data, such as images, to graph-structured data. We propose a novel spatial convolution utilizing a random walk to uncover the relations…

Machine Learning · Statistics 2017-04-27 Yotam Hechtlinger , Purvasha Chakravarti , Jining Qin

We introduce a novel framework for graph signal processing (GSP) that models signals as graph distribution-valued signals (GDSs), which are probability distributions in the Wasserstein space. This approach overcomes key limitations of…

Machine Learning · Statistics 2026-03-25 Yanan Zhao , Feng Ji , Xingchao Jian , Wee Peng Tay

Established approaches to obtain generalization bounds in data-driven optimization and machine learning mostly build on solutions from empirical risk minimization (ERM), which depend crucially on the functional complexity of the hypothesis…

Optimization and Control · Mathematics 2022-10-14 Yibo Zeng , Henry Lam

Graph transformer networks (GTN) are a variant of graph convolutional networks (GCN) that are targeted to heterogeneous graphs in which nodes and edges have associated type information that can be exploited to improve inference accuracy.…

Artificial Intelligence · Computer Science 2021-06-17 Loc Hoang , Udit Agarwal , Gurbinder Gill , Roshan Dathathri , Abhik Seal , Brian Martin , Keshav Pingali

Comparing structured objects such as graphs is a fundamental operation involved in many learning tasks. To this end, the Gromov-Wasserstein (GW) distance, based on Optimal Transport (OT), has proven to be successful in handling the specific…

Machine Learning · Computer Science 2022-03-02 Cédric Vincent-Cuaz , Rémi Flamary , Marco Corneli , Titouan Vayer , Nicolas Courty

The richness in the content of various information networks such as social networks and communication networks provides the unprecedented potential for learning high-quality expressive representations without external supervision. This…

Machine Learning · Computer Science 2020-02-06 Zhen Peng , Wenbing Huang , Minnan Luo , Qinghua Zheng , Yu Rong , Tingyang Xu , Junzhou Huang

Graphs are fundamental data structures which concisely capture the relational structure in many important real-world domains, such as knowledge graphs, physical and social interactions, language, and chemistry. Here we introduce a powerful…

Machine Learning · Computer Science 2018-03-12 Yujia Li , Oriol Vinyals , Chris Dyer , Razvan Pascanu , Peter Battaglia

Graph neural network models have been extensively used to learn node representations for graph structured data in an end-to-end setting. These models often rely on localized first order approximations of spectral graph convolutions and…

Machine Learning · Computer Science 2020-10-20 Mohammed Haroon Dupty , Wee Sun Lee

Graph Transformers (GTs) have recently emerged as popular alternatives to traditional message-passing Graph Neural Networks (GNNs), due to their theoretically superior expressiveness and impressive performance reported on standard node…

Machine Learning · Computer Science 2024-10-29 Yuankai Luo , Lei Shi , Xiao-Ming Wu

Machine learning systems operate under the assumption that training and test data are sampled from a fixed probability distribution. However, this assumptions is rarely verified in practice, as the conditions upon which data was acquired…

Machine Learning · Computer Science 2025-07-09 Eduardo Fernandes Montesuma , Fred Maurice Ngolè Mboula , Antoine Souloumiac

Graph Neural Networks (GNNs) show strong expressive power on graph data mining, by aggregating information from neighbors and using the integrated representation in the downstream tasks. The same aggregation methods and parameters for each…

Machine Learning · Computer Science 2022-03-22 Xiaojun Ma , Qin Chen , Yuanyi Ren , Guojie Song , Liang Wang

Graph Neural Networks (GNN) have emerged as a popular and standard approach for learning from graph-structured data. The literature on GNN highlights the potential of this evolving research area and its widespread adoption in real-life…

Machine Learning · Computer Science 2024-03-25 Sukhdeep Singh , Anuj Sharma , Vinod Kumar Chauhan

With the wide-spread availability of complex relational data, semi-supervised node classification in graphs has become a central machine learning problem. Graph neural networks are a recent class of easy-to-train and accurate methods for…

Machine Learning · Computer Science 2021-06-08 Junteng Jia , Cenk Baykal , Vamsi K. Potluru , Austin R. Benson

Deep generative models for graphs have shown great promise in the area of drug design, but have so far found little application beyond generating graph-structured molecules. In this work, we demonstrate a proof of concept for the…

Machine Learning · Computer Science 2019-11-01 Davide Belli , Thomas Kipf

Graph Neural Networks (GNNs) are prominent in handling sparse and unstructured data efficiently and effectively. Specifically, GNNs were shown to be highly effective for node classification tasks, where labelled information is available for…

Machine Learning · Computer Science 2022-12-01 Moshe Eliasof , Eldad Haber , Eran Treister

Diffusion models have become the go-to method for large-scale generative models in real-world applications. These applications often involve data distributions confined within bounded domains, typically requiring ad-hoc thresholding…

Machine Learning · Statistics 2024-01-09 Wei Deng , Yu Chen , Nicole Tianjiao Yang , Hengrong Du , Qi Feng , Ricky T. Q. Chen

Graph neural networks (GNNs) are widely used in domains like social networks and biological systems. However, the locality assumption of GNNs, which limits information exchange to neighboring nodes, hampers their ability to capture…

Machine Learning · Computer Science 2023-07-04 Tingting Dan , Jiaqi Ding , Ziquan Wei , Shahar Z Kovalsky , Minjeong Kim , Won Hwa Kim , Guorong Wu

In the field of deep learning, Graph Neural Networks (GNNs) and Graph Transformer models, with their outstanding performance and flexible architectural designs, have become leading technologies for processing structured data, especially…

Machine Learning · Computer Science 2025-02-04 Jiawei E , Yinglong Zhang , Xuewen Xia , Xing Xu

Graph convolutional network (GCN) is an emerging neural network approach. It learns new representation of a node by aggregating feature vectors of all neighbors in the aggregation process without considering whether the neighbors or…

Machine Learning · Computer Science 2022-04-01 Li Zhang , Heda Song , Nikolaos Aletras , Haiping Lu