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Gaussian processes (GPs) are an attractive class of machine learning models because of their simplicity and flexibility as building blocks of more complex Bayesian models. Meanwhile, graph neural networks (GNNs) emerged recently as a…

机器学习 · 计算机科学 2023-02-14 Zehao Niu , Mihai Anitescu , Jie Chen

Recently, the Weisfeiler-Lehman (WL) graph isomorphism test was used to measure the expressiveness of graph neural networks (GNNs), showing that the neighborhood aggregation GNNs were at most as powerful as 1-WL test in distinguishing graph…

机器学习 · 计算机科学 2020-12-15 Mingqi Yang , Yanming Shen , Heng Qi , Baocai Yin

Traditional Graph Self-Supervised Learning (GSSL) struggles to capture complex structural properties well. This limitation stems from two main factors: (1) the inadequacy of conventional Graph Neural Networks (GNNs) in representing…

机器学习 · 计算机科学 2025-02-25 Asiri Wijesinghe , Hao Zhu , Piotr Koniusz

The Gromov-Wasserstein (GW) variant of optimal transport, designed to compare probability densities defined over distinct metric spaces, has emerged as an important tool for the analysis of data with complex structure, such as ensembles of…

机器学习 · 统计学 2025-08-15 Mary Chriselda Antony Oliver , Emmanuel Hartman , Tom Needham

Graph Neural Networks (GNNs) have emerged as a dominant paradigm for graph classification. Specifically, most existing GNNs mainly rely on the message passing strategy between neighbor nodes, where the expressivity is limited by the…

机器学习 · 计算机科学 2025-12-12 Lin Du , Lu Bai , Jincheng Li , Lixin Cui , Hangyuan Du , Lichi Zhang , Yuting Chen , Zhao Li

The majority of popular graph kernels is based on the concept of Haussler's $\mathcal{R}$-convolution kernel and defines graph similarities in terms of mutual substructures. In this work, we enrich these similarity measures by considering…

机器学习 · 计算机科学 2021-10-25 Till Hendrik Schulz , Pascal Welke , Stefan Wrobel

Traditional Graph Neural Network (GNN), as a graph representation learning method, is constrained by label information. However, Graph Contrastive Learning (GCL) methods, which tackle the label problem effectively, mainly focus on the…

机器学习 · 计算机科学 2023-08-08 Kai Yang , Yuan Liu , Zijuan Zhao , Peijin Ding , Wenqian Zhao

Multi-view data analysis seeks to integrate multiple representations of the same samples in order to recover a coherent low-dimensional structure. Classical approaches often rely on feature concatenation or explicit alignment assumptions,…

Generative Adversarial Networks have shown remarkable success in learning a distribution that faithfully recovers a reference distribution in its entirety. However, in some cases, we may want to only learn some aspects (e.g., cluster or…

机器学习 · 计算机科学 2019-05-16 Charlotte Bunne , David Alvarez-Melis , Andreas Krause , Stefanie Jegelka

We introduce the supervised Gromov-Wasserstein (sGW) optimal transport, an extension of Gromov-Wasserstein by incorporating potential infinity patterns in the cost tensor. sGW enables the enforcement of application-induced constraints such…

最优化与控制 · 数学 2024-01-15 Zixuan Cang , Yaqi Wu , Yanxiang Zhao

The Gromov-Wasserstein (GW) distance enables comparing metric measure spaces based solely on their internal structure, making it invariant to isomorphic transformations. This property is particularly useful for comparing datasets that…

统计理论 · 数学 2024-10-24 Gabriel Rioux , Ziv Goldfeld , Kengo Kato

Recently, two concepts from optimal transport theory have successfully been brought to the Gromov--Wasserstein (GW) setting. This introduces a linear version of the GW distance and multi-marginal GW transport. The former can reduce the…

数值分析 · 数学 2022-11-16 Florian Beier , Robert Beinert

Graph representation learning is crucial for many real-world applications (e.g. social relation analysis). A fundamental problem for graph representation learning is how to effectively learn representations without human labeling, which is…

社会与信息网络 · 计算机科学 2022-02-15 Bolian Li , Baoyu Jing , Hanghang Tong

Capsule networks (CapsNets) aim to parse images into a hierarchy of objects, parts, and their relations using a two-step process involving part-whole transformation and hierarchical component routing. However, this hierarchical relationship…

计算机视觉与模式识别 · 计算机科学 2023-10-25 Pourya Shamsolmoali , Masoumeh Zareapoor , Swagatam Das , Eric Granger , Salvador Garcia

As a classical approach on graph learning, the propagation-aggregation methodology is widely exploited by many of Graph Neural Networks (GNNs), wherein the representation of a node is updated by aggregating representations from itself and…

机器学习 · 计算机科学 2025-12-08 Xiao Yue , Bo Liu , Feng Zhang , Guangzhi Qu

Graph-based semi-supervised learning (GSSL) has long been a hot research topic. Traditional methods are generally shallow learners, based on the cluster assumption. Recently, graph convolutional networks (GCNs) have become the predominant…

机器学习 · 计算机科学 2025-08-07 Zheng Wang , Hongming Ding , Li Pan , Jianhua Li , Zhiguo Gong , Philip S. Yu

We introduce a theoretical framework for performing statistical tasks---including, but not limited to, averaging and principal component analysis---on the space of (possibly asymmetric) matrices with arbitrary entries and sizes. This is…

度量几何 · 数学 2020-04-24 Samir Chowdhury , Tom Needham

Learning meaningful graphs from data plays important roles in many data mining and machine learning tasks, such as data representation and analysis, dimension reduction, data clustering, and visualization, etc. In this work, for the first…

机器学习 · 计算机科学 2020-07-30 Yongyu Wang , Zhiqiang Zhao , Zhuo Feng

Network alignment is useful for multiple applications that require increasingly large graphs to be processed. Existing research approaches this as an optimization problem or computes the similarity based on node representations. However,…

社会与信息网络 · 计算机科学 2020-08-03 Kyle K. Qin , Flora D. Salim , Yongli Ren , Wei Shao , Mark Heimann , Danai Koutra

We consider the problem of classifying graphs using graph kernels. We define a new graph kernel, called the generalized shortest path kernel, based on the number and length of shortest paths between nodes. For our example classification…

数据结构与算法 · 计算机科学 2015-11-20 Linus Hermansson , Fredrik D. Johansson , Osamu Watanabe