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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…

Quantitative Methods · Quantitative Biology 2016-08-16 Pierre Mahé , Jean-Philippe Vert

Let $G$ be a finite group, $\Z G$ the integral group ring of $G$ and $\U(\Z G)$ the group of units of $\Z G$. The Congruence Subgroup Problem for $\U(\Z G)$ is the problem of deciding if every subgroup of finite index of $\U(\Z G)$ contains…

Group Theory · Mathematics 2013-09-05 Mauricio Caicedo , Ángel del Río

Representing a graph as a vector is a challenging task; ideally, the representation should be easily computable and conducive to efficient comparisons among graphs, tailored to the particular data and analytical task at hand. Unfortunately,…

Social and Information Networks · Computer Science 2018-11-16 Anton Tsitsulin , Davide Mottin , Panagiotis Karras , Alex Bronstein , Emmanuel Müller

Many complex questions in biology, physics, and mathematics can be mapped to the graph isomorphism problem and the closely related graph automorphism problem. In particular, these problems appear in the context of network visualization,…

Data Structures and Algorithms · Computer Science 2012-11-14 Charo I. Del Genio , Thilo Gross

While message passing Graph Neural Networks (GNNs) have become increasingly popular architectures for learning with graphs, recent works have revealed important shortcomings in their expressive power. In response, several higher-order GNNs…

Machine Learning · Computer Science 2025-02-28 Behrooz Tahmasebi , Derek Lim , Stefanie Jegelka

With the recent rise in the amount of structured data available, there has been considerable interest in methods for machine learning with graphs. Many of these approaches have been kernel methods, which focus on measuring the similarity…

Machine Learning · Computer Science 2017-08-07 P. -L. Giscard , R. C. Wilson

Graph neural networks (GNNs) and message passing neural networks (MPNNs) have been proven to be expressive for subgraph structures in many applications. Some applications in heterogeneous graphs require explicit edge modeling, such as…

Machine Learning · Computer Science 2021-12-17 Xin Liu , Yangqiu Song

Graph isomorphism is an important problem as its worst-case time complexity is not yet fully understood. In this study, we try to draw parallels between a related optimization problem called point set registration. A graph can be…

Optimization and Control · Mathematics 2021-11-19 Yigit Oktar

Despite the effectiveness of Convolutional Neural Networks (CNNs) for image classification, our understanding of the relationship between shape of convolution kernels and learned representations is limited. In this work, we explore and…

Computer Vision and Pattern Recognition · Computer Science 2016-11-30 Zhun Sun , Mete Ozay , Takayuki Okatani

Given graphs $H$ and $G$, possibly with vertex-colors, a homomorphism is a function $f:V(H)\to V(G)$ that preserves colors and edges. Many interesting counting problems (e.g., subgraph and induced subgraph counts) are finite linear…

Computational Complexity · Computer Science 2023-05-09 Radu Curticapean

Important graph mining problems such as Clustering are computationally demanding. To significantly accelerate these problems, we propose ProbGraph: a graph representation that enables simple and fast approximate parallel graph mining with…

We propose a principled way to define Gaussian process priors on various sets of unweighted graphs: directed or undirected, with or without loops. We endow each of these sets with a geometric structure, inducing the notions of closeness and…

Machine Learning · Statistics 2023-02-28 Viacheslav Borovitskiy , Mohammad Reza Karimi , Vignesh Ram Somnath , Andreas Krause

As it follows from G\"odel's incompleteness theorems, any consistent formal system of axioms and rules of inference should imply a true unprovable statement. Actually, this fundamental principle can be efficiently applicable in…

Data Structures and Algorithms · Computer Science 2020-11-25 Roman Galay , Daniil Kalistratov

Theoretical studies on the representation power of GNNs have been centered around understanding the equivalence of GNNs, using WL-Tests for detecting graph isomorphism. In this paper, we argue that such equivalence ignores the accompanying…

Machine Learning · Computer Science 2024-08-26 P. Krishna Kumar a , Harish G. Ramaswamy

A large driver of the complexity of graph learning is the interplay between structure and features. When analyzing the expressivity of graph neural networks, however, existing approaches ignore features in favor of structure, making it…

Machine Learning · Computer Science 2026-03-04 Martin Carrasco , Olga Zaghen , Kavir Sumaraj , Erik Bekkers , Bastian Rieck

The success of kernel methods has initiated the design of novel positive semidefinite functions, in particular for structured data. A leading design paradigm for this is the convolution kernel, which decomposes structured objects into their…

Machine Learning · Computer Science 2017-02-01 Nils M. Kriege , Pierre-Louis Giscard , Richard C. Wilson

Deep learning models have achieved huge success in numerous fields, such as computer vision and natural language processing. However, unlike such fields, it is hard to apply traditional deep learning models on the graph data due to the…

Machine Learning · Computer Science 2019-10-01 Lin Meng , Jiawei Zhang

In this paper, we propose the novel problem of Subteam Replacement: given a team of people embedded in a social network to complete a certain task, and a subset of members - subteam - in this team which have become unavailable, find another…

Social and Information Networks · Computer Science 2021-11-12 Zhaoheng Li , Xinyu Pi , Mingyuan Wu , Hanghang Tong

We introduce a novel class of explicit feature maps based on topological indices that represent each graph by a compact feature vector, enabling fast and interpretable graph classification. Using radial basis function kernels on these…

Machine Learning · Computer Science 2025-09-23 Adam Wesołowski , Ronin Wu , Karim Essafi

Graphs play a crucial role in data mining and machine learning, representing real-world objects and interactions. As graph datasets grow, managing large, decentralized subgraphs becomes essential, particularly within federated learning…

Machine Learning · Computer Science 2024-10-21 Ömer Faruk Akgül , Rajgopal Kannan , Viktor Prasanna