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We present a novel mechanism to improve the accuracy of the recently-introduced class of graph random features (GRFs). Our method induces negative correlations between the lengths of the algorithm's random walks by imposing antithetic…

Machine Learning · Statistics 2023-05-23 Isaac Reid , Krzysztof Choromanski , Adrian Weller

We introduce in this paper the mechanism of graph random features (GRFs). GRFs can be used to construct unbiased randomized estimators of several important kernels defined on graphs' nodes, in particular the regularized Laplacian kernel. As…

Machine Learning · Computer Science 2023-05-02 Krzysztof Choromanski

We present a new paradigm for creating random features to approximate bi-variate functions (in particular, kernels) defined on general manifolds. This new mechanism of Manifold Random Features (MRFs) leverages discretization of the manifold…

Machine Learning · Computer Science 2026-05-19 Ananya Parashar , Derek Long , Dwaipayan Saha , Krzysztof Choromanski

We propose a novel random walk-based algorithm for unbiased estimation of arbitrary functions of a weighted adjacency matrix, coined universal graph random features (u-GRFs). This includes many of the most popular examples of kernels…

Machine Learning · Statistics 2024-05-27 Isaac Reid , Krzysztof Choromanski , Eli Berger , Adrian Weller

We study the application of graph random features (GRFs) - a recently introduced stochastic estimator of graph node kernels - to scalable Gaussian processes on discrete input spaces. We prove that (under mild assumptions) Bayesian inference…

Machine Learning · Computer Science 2025-09-29 Matthew Zhang , Jihao Andreas Lin , Krzysztof Choromanski , Adrian Weller , Richard E. Turner , Isaac Reid

Graph-structured data arise in wide applications, such as computer vision, bioinformatics, and social networks. Quantifying similarities among graphs is a fundamental problem. In this paper, we develop a framework for computing graph…

Machine Learning · Statistics 2018-09-11 Zhen Zhang , Mianzhi Wang , Yijian Xiang , Yan Huang , Arye Nehorai

We present Graph Random Neural Features (GRNF), a novel embedding method from graph-structured data to real vectors based on a family of graph neural networks. The embedding naturally deals with graph isomorphism and preserves the metric…

Machine Learning · Computer Science 2020-06-03 Daniele Zambon , Cesare Alippi , Lorenzo Livi

In recent years, graph neural networks (GNNs) have gained increasing popularity and have shown very promising results for data that are represented by graphs. The majority of GNN architectures are designed based on developing new…

Machine Learning · Statistics 2021-10-05 Anahita Iravanizad , Edgar Ivan Sanchez Medina , Martin Stoll

Graph embedding has recently gained momentum in the research community, in particular after the introduction of random walk and neural network based approaches. However, most of the embedding approaches focus on representing the local…

Machine Learning · Computer Science 2020-02-19 Joerg Schloetterer , Martin Wehking , Fatemeh Salehi Rizi , Michael Granitzer

We present the first linear time complexity randomized algorithms for unbiased approximation of the celebrated family of general random walk kernels (RWKs) for sparse graphs. This includes both labelled and unlabelled instances. The…

Machine Learning · Computer Science 2024-10-16 Krzysztof Choromanski , Isaac Reid , Arijit Sehanobish , Avinava Dubey

Graph-structured data arise ubiquitously in many application domains. A fundamental problem is to quantify their similarities. Graph kernels are often used for this purpose, which decompose graphs into substructures and compare these…

Machine Learning · Computer Science 2020-03-26 Wei Ye , Zhen Wang , Rachel Redberg , Ambuj Singh

Random features (RFs) are a popular technique to scale up kernel methods in machine learning, replacing exact kernel evaluations with stochastic Monte Carlo estimates. They underpin models as diverse as efficient transformers (by…

Machine Learning · Statistics 2024-10-04 Isaac Reid , Stratis Markou , Krzysztof Choromanski , Richard E. Turner , Adrian Weller

Message-passing graph neural networks (GNNs) excel at capturing local relationships but struggle with long-range dependencies in graphs. In contrast, graph transformers (GTs) enable global information exchange but often oversimplify the…

Machine Learning · Computer Science 2024-10-08 Dexiong Chen , Till Hendrik Schulz , Karsten Borgwardt

Non-linear kernel methods can be approximated by fast linear ones using suitable explicit feature maps allowing their application to large scale problems. We investigate how convolution kernels for structured data are composed from base…

Machine Learning · Computer Science 2019-11-26 Nils M. Kriege , Marion Neumann , Christopher Morris , Kristian Kersting , Petra Mutzel

Graph Neural Networks (GNNs) have become important machine learning tools for graph analysis, and its explainability is crucial for safety, fairness, and robustness. Layer-wise relevance propagation for GNNs (GNN-LRP) evaluates the…

Machine Learning · Computer Science 2026-05-25 Ping Xiong , Thomas Schnake , Michael Gastegger , Grégoire Montavon , Klaus-Robert Müller , Shinichi Nakajima

Graph neural networks (GNNs) are powerful machine learning models for various graph learning tasks. Recently, the limitations of the expressive power of various GNN models have been revealed. For example, GNNs cannot distinguish some…

Machine Learning · Computer Science 2021-01-19 Ryoma Sato , Makoto Yamada , Hisashi Kashima

A hypergraph is a generalization of a graph that arises naturally when attribute-sharing among entities is considered. Compared to graphs, hypergraphs have the distinct advantage that they contain explicit communities and are more…

Social and Information Networks · Computer Science 2024-08-28 Enzhi Li , Scott Nickleach , Bilal Fadlallah

Using random walks for sampling has proven advantageous in assessing the characteristics of large and unknown social networks. Several algorithms based on random walks have been introduced in recent years. In the practical application of…

Social and Information Networks · Computer Science 2024-09-18 Tsuyoshi Hasegawa , Shiori Hironaka , Kazuyuki Shudo

Graph dynamic random walks (GDRWs) have recently emerged as a powerful paradigm for graph analytics and learning applications, including graph embedding and graph neural networks. Despite the fact that many existing studies optimize the…

Hardware Architecture · Computer Science 2023-04-24 Hongshi Tan , Xinyu Chen , Yao Chen , Bingsheng He , Weng-Fai Wong

Graph Neural Networks (GNNs) have emerged as a powerful technique for learning on relational data. Owing to the relatively limited number of message passing steps they perform -- and hence a smaller receptive field -- there has been…

Machine Learning · Computer Science 2022-06-27 Ameya Velingker , Ali Kemal Sinop , Ira Ktena , Petar Veličković , Sreenivas Gollapudi
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