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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…

机器学习 · 计算机科学 2019-11-26 Nils M. Kriege , Marion Neumann , Christopher Morris , Kristian Kersting , Petra Mutzel

Random walk kernels have been introduced in seminal work on graph learning and were later largely superseded by kernels based on the Weisfeiler-Leman test for graph isomorphism. We give a unified view on both classes of graph kernels. We…

机器学习 · 计算机科学 2023-01-18 Nils M. Kriege

Subgraph isomorphism counting is known as #P-complete and requires exponential time to find the accurate solution. Utilizing representation learning has been shown as a promising direction to represent substructures and approximate the…

机器学习 · 计算机科学 2024-05-14 Xin Liu , Weiqi Wang , Jiaxin Bai , Yangqiu Song

Graph kernels have recently emerged as a promising approach for tackling the graph similarity and learning tasks at the same time. In this paper, we propose a general framework for designing graph kernels. The proposed framework capitalizes…

机器学习 · 统计学 2018-08-09 Giannis Nikolentzos , Michalis Vazirgiannis

Graph kernels are often used in bioinformatics and network applications to measure the similarity between graphs; therefore, they may be used to construct efficient graph classifiers. Many graph kernels have been developed thus far, but to…

量子物理 · 物理学 2022-11-01 Kaito Kishi , Takahiko Satoh , Rudy Raymond , Naoki Yamamoto , Yasubumi Sakakibara

We introduce propagation kernels, a general graph-kernel framework for efficiently measuring the similarity of structured data. Propagation kernels are based on monitoring how information spreads through a set of given graphs. They leverage…

机器学习 · 统计学 2014-10-14 Marion Neumann , Roman Garnett , Christian Bauckhage , Kristian Kersting

Provenance is a record that describes how entities, activities, and agents have influenced a piece of data; it is commonly represented as graphs with relevant labels on both their nodes and edges. With the growing adoption of provenance in…

机器学习 · 计算机科学 2021-09-16 David Kohan Marzagão , Trung Dong Huynh , Ayah Helal , Sean Baccas , Luc Moreau

Graph kernels have become an established and widely-used technique for solving classification tasks on graphs. This survey gives a comprehensive overview of techniques for kernel-based graph classification developed in the past 15 years. We…

机器学习 · 计算机科学 2020-02-05 Nils M. Kriege , Fredrik D. Johansson , Christopher Morris

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

Learning on graph structured data has drawn increasing interest in recent years. Frameworks like Graph Convolutional Networks (GCNs) have demonstrated their ability to capture structural information and obtain good performance in various…

机器学习 · 计算机科学 2020-05-19 Yufan Zhou , Jiayi Xian , Changyou Chen , Jinhui Xu

Various Graph Neural Networks (GNNs) have been successful in analyzing data in non-Euclidean spaces, however, they have limitations such as oversmoothing, i.e., information becomes excessively averaged as the number of hidden layers…

机器学习 · 计算机科学 2024-01-23 Jaeyoon Sim , Sooyeon Jeon , InJun Choi , Guorong Wu , Won Hwa Kim

Motivated by chemical applications, we revisit and extend a family of positive definite kernels for graphs based on the detection of common subtrees, initially proposed by Ramon et al. (2003). We propose new kernels with a parameter to…

定量方法 · 定量生物学 2016-08-16 Pierre Mahé , Jean-Philippe Vert

Subgraph representation learning has been effective in solving various real-world problems. However, current graph neural networks (GNNs) produce suboptimal results for subgraph-level tasks due to their inability to capture complex…

机器学习 · 计算机科学 2025-11-12 Dongkwan Kim , Alice Oh

The classical Weisfeiler-Leman algorithm aka color refinement is fundamental for graph learning with kernels and neural networks. Originally developed for graph isomorphism testing, the algorithm iteratively refines vertex colors. On many…

机器学习 · 计算机科学 2022-12-09 Franka Bause , Nils M. Kriege

Node embeddings map graph vertices into low-dimensional Euclidean spaces while preserving structural information. They are central to tasks such as node classification, link prediction, and signal reconstruction. A key goal is to design…

机器学习 · 计算机科学 2026-02-18 Valentin de Bassompierre , Jean-Charles Delvenne , Laurent Jacques

Graph-based clustering has shown promising performance in many tasks. A key step of graph-based approach is the similarity graph construction. In general, learning graph in kernel space can enhance clustering accuracy due to the…

机器学习 · 计算机科学 2019-05-22 Zhao Kang , Honghui Xu , Boyu Wang , Hongyuan Zhu , Zenglin Xu

Graph kernel is a powerful tool measuring the similarity between graphs. Most of the existing graph kernels focused on node labels or attributes and ignored graph hierarchical structure information. In order to effectively utilize graph…

机器学习 · 计算机科学 2020-11-03 Kai Ma , Peng Wan , Daoqiang Zhang

Graph kernels are conventional methods for computing graph similarities. However, the existing R-convolution graph kernels cannot resolve both of the two challenges: 1) Comparing graphs at multiple different scales, and 2) Considering the…

机器学习 · 计算机科学 2024-05-14 Wei Ye , Hao Tian , Qijun Chen

Graph is an usual representation of relational data, which are ubiquitous in manydomains such as molecules, biological and social networks. A popular approach to learningwith graph structured data is to make use of graph kernels, which…

机器学习 · 计算机科学 2022-08-02 Dai Hai Nguyen , Canh Hao Nguyen , Hiroshi Mamitsuka

Graph Neural Networks (GNNs) have emerged as a dominant approach in graph representation learning, yet they often struggle to capture consistent similarity relationships among graphs. While graph kernel methods such as the Weisfeiler-Lehman…

机器学习 · 计算机科学 2024-12-12 Xuyuan Liu , Yinghao Cai , Qihui Yang , Yujun Yan