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The Weisfeiler-Lehman graph kernels are among the most prevalent graph kernels due to their remarkable time complexity and predictive performance. Their key concept is based on an implicit comparison of neighborhood representing trees with…

Machine Learning · Computer Science 2021-01-21 Till Hendrik Schulz , Tamás Horváth , Pascal Welke , Stefan Wrobel

Multi-kernel learning (MKL) has been widely used in function approximation tasks. The key problem of MKL is to combine kernels in a prescribed dictionary. Inclusion of irrelevant kernels in the dictionary can deteriorate accuracy of MKL,…

Machine Learning · Computer Science 2021-02-10 Pouya M Ghari , Yanning Shen

We introduce the first graph kernels for metric graphs via tropical algebraic geometry. In contrast to conventional graph kernels based on graph combinatorics such as nodes, edges, and subgraphs, our metric graph kernels are purely based on…

Machine Learning · Computer Science 2026-01-30 Yueqi Cao , Anthea Monod

Kernels on graphs have had limited options for node-level problems. To address this, we present a novel, generalized kernel for graphs with node feature data for semi-supervised learning. The kernel is derived from a regularization…

Machine Learning · Computer Science 2022-11-29 Yin-Cong Zhi , Felix L. Opolka , Yin Cheng Ng , Pietro Liò , Xiaowen Dong

The design of neural architectures for structured objects is typically guided by experimental insights rather than a formal process. In this work, we appeal to kernels over combinatorial structures, such as sequences and graphs, to derive…

Neural and Evolutionary Computing · Computer Science 2017-10-31 Tao Lei , Wengong Jin , Regina Barzilay , Tommi Jaakkola

We propose a new graph-theoretic benchmark in this paper. The benchmark is developed to address shortcomings of an existing widely-used graph benchmark. We thoroughly studied a large number of traditional and contemporary graph algorithms…

Performance · Computer Science 2010-05-06 Andy B. Yoo , Yang Liu , Sheila Vaidya , Stephen Poole

Graph-structured data arise in many scenarios. A fundamental problem is to quantify the similarities of graphs for tasks such as classification. R-convolution graph kernels are positive-semidefinite functions that decompose graphs into…

Machine Learning · Computer Science 2022-01-25 Wei Ye , Omid Askarisichani , Alex Jones , Ambuj Singh

A fundamental problem on graph-structured data is that of quantifying similarity between graphs. Graph kernels are an established technique for such tasks; in particular, those based on random walks and return probabilities have proven to…

Machine Learning · Computer Science 2021-01-21 Leo Huang , Andrew Graven , David Bindel

We propose a representation of graph as a functional object derived from the power iteration of the underlying adjacency matrix. The proposed functional representation is a graph invariant, i.e., the functional remains unchanged under any…

Machine Learning · Computer Science 2014-04-22 Anshumali Shrivastava , Ping Li

Graphs are complex objects that do not lend themselves easily to typical learning tasks. Recently, a range of approaches based on graph kernels or graph neural networks have been developed for graph classification and for representation…

Machine Learning · Computer Science 2022-05-19 Chen Cai , Yusu Wang

Point clouds are sets of points in two or three dimensions. Most kernel methods for learning on sets of points have not yet dealt with the specific geometrical invariances and practical constraints associated with point clouds in computer…

Machine Learning · Computer Science 2007-12-21 Francis Bach

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…

Machine Learning · Computer Science 2020-05-19 Yufan Zhou , Jiayi Xian , Changyou Chen , Jinhui Xu

Real-world networks exhibit prominent hierarchical and modular structures, with various subgraphs as building blocks. Most existing studies simply consider distinct subgraphs as motifs and use only their numbers to characterize the…

Social and Information Networks · Computer Science 2019-12-17 Qi Xuan , Jinhuan Wang , Minghao Zhao , Junkun Yuan , Chenbo Fu , Zhongyuan Ruan , Guanrong Chen

Recent works on representation learning for graph structured data predominantly focus on learning distributed representations of graph substructures such as nodes and subgraphs. However, many graph analytics tasks such as graph…

Artificial Intelligence · Computer Science 2017-07-18 Annamalai Narayanan , Mahinthan Chandramohan , Rajasekar Venkatesan , Lihui Chen , Yang Liu , Shantanu Jaiswal

Many real-world graphs or networks are temporal, e.g., in a social network persons only interact at specific points in time. This information directs dissemination processes on the network, such as the spread of rumors, fake news, or…

Social and Information Networks · Computer Science 2021-08-23 Lutz Oettershagen , Nils M. Kriege , Christopher Morris , Petra Mutzel

Biological and cellular systems are often modeled as graphs in which vertices represent objects of interest (genes, proteins, drugs) and edges represent relational ties among these objects (binds-to, interacts-with, regulates). This…

Machine Learning · Statistics 2017-03-16 Jose Lugo-Martinez , Predrag Radivojac

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…

Machine Learning · Computer Science 2019-05-22 Zhao Kang , Honghui Xu , Boyu Wang , Hongyuan Zhu , Zenglin Xu

We present a unified framework to study graph kernels, special cases of which include the random walk graph kernel \citep{GaeFlaWro03,BorOngSchVisetal05}, marginalized graph kernel \citep{KasTsuIno03,KasTsuIno04,MahUedAkuPeretal04}, and…

Machine Learning · Computer Science 2010-11-30 S. V. N. Vishwanathan , Karsten M. Borgwardt , Imre Risi Kondor , Nicol N. Schraudolph

Graph-based methods pervade the inference toolkits of numerous disciplines including sociology, biology, neuroscience, physics, chemistry, and engineering. A challenging problem encountered in this context pertains to determining the…

Machine Learning · Computer Science 2018-09-25 Daniel Romero , Vassilis N. Ioannidis , Georgios B. Giannakis

The topological (or graph) structures of real-world networks are known to be predictive of multiple dynamic properties of the networks. Conventionally, a graph structure is represented using an adjacency matrix or a set of hand-crafted…

Social and Information Networks · Computer Science 2016-10-21 Cheng Li , Xiaoxiao Guo , Qiaozhu Mei