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Persistence diagrams (PDs), often characterized as sets of death and birth of homology class, have been known for providing a topological representation of a graph structure, which is often useful in machine learning tasks. Prior works rely…

Machine Learning · Computer Science 2022-09-29 Chau Pham , Trung Dang , Peter Chin

Subgraph counting is a fundamental task for analyzing structural patterns in graph-structured data, with important applications in domains such as computational biology and social network analysis, where recurring motifs reveal functional…

Machine Learning · Computer Science 2025-12-02 Shubhajit Roy , Shrutimoy Das , Binita Maity , Anant Kumar , Anirban Dasgupta

Graph classification is a fundamental but challenging issue for numerous real-world applications. Despite recent great progress in image/video classification, convolutional neural networks (CNNs) cannot yet cater to graphs well because of…

Social and Information Networks · Computer Science 2020-01-13 Jiatao Jiang , Chunyan Xu , Zhen Cui , Tong Zhang , Wenming Zheng , Jian Yang

Node embeddings have become an ubiquitous technique for representing graph data in a low dimensional space. Graph autoencoders, as one of the widely adapted deep models, have been proposed to learn graph embeddings in an unsupervised way by…

Machine Learning · Computer Science 2019-08-13 Vaibhav , Po-Yao Huang , Robert Frederking

We revisit a simple model class for machine learning on graphs, where a random walk on a graph produces a machine-readable record, and this record is processed by a deep neural network to directly make vertex-level or graph-level…

Machine Learning · Computer Science 2025-03-06 Jinwoo Kim , Olga Zaghen , Ayhan Suleymanzade , Youngmin Ryou , Seunghoon Hong

The $k$-dimensional Weisfeiler-Leman algorithm ($k$-WL) is a very useful combinatorial tool in graph isomorphism testing. We address the applicability of $k$-WL to recognition of graph properties. Let $G$ be an input graph with $n$…

Combinatorics · Mathematics 2020-07-31 Frank Fuhlbrück , Johannes Köbler , Ilia Ponomarenko , Oleg Verbitsky

The Weisfeiler-Leman (WL) algorithm is a combinatorial procedure that computes colorings on graphs, which can often be used to detect their (non-)isomorphism. Particularly the 1- and 2-dimensional versions 1-WL and 2-WL have received much…

Discrete Mathematics · Computer Science 2022-06-22 Sandra Kiefer , Daniel Neuen

An important part of many machine learning workflows on graphs is vertex representation learning, i.e., learning a low-dimensional vector representation for each vertex in the graph. Recently, several powerful techniques for unsupervised…

Machine Learning · Computer Science 2019-01-23 Hooman Peiro Sajjad , Andrew Docherty , Yuriy Tyshetskiy

We propose CRaWl, a novel neural network architecture for graph learning. Like graph neural networks, CRaWl layers update node features on a graph and thus can freely be combined or interleaved with GNN layers. Yet CRaWl operates…

Machine Learning · Computer Science 2023-08-22 Jan Tönshoff , Martin Ritzert , Hinrikus Wolf , Martin Grohe

Random walk neural networks (RWNNs) have emerged as a promising approach for graph representation learning, leveraging recent advances in sequence models to process random walks. However, under realistic sampling constraints, RWNNs often…

Machine Learning · Computer Science 2025-10-28 Michael Ito , Danai Koutra , Jenna Wiens

Graph neural networks are prominent models for representation learning over graph-structured data. While the capabilities and limitations of these models are well-understood for simple graphs, our understanding remains incomplete in the…

Machine Learning · Computer Science 2023-10-27 Xingyue Huang , Miguel Romero Orth , İsmail İlkan Ceylan , Pablo Barceló

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…

Machine Learning · Computer Science 2021-10-25 Till Hendrik Schulz , Pascal Welke , Stefan Wrobel

A graph neural network (GNN) is a good choice for predicting the chemical properties of molecules. Compared with other deep networks, however, the current performance of a GNN is limited owing to the "curse of depth." Inspired by…

Machine Learning · Computer Science 2020-08-19 Katsuhiko Ishiguro , Kenta Oono , Kohei Hayashi

In recent years, algorithms and neural architectures based on the Weisfeiler--Leman algorithm, a well-known heuristic for the graph isomorphism problem, have emerged as a powerful tool for machine learning with graphs and relational data.…

In recent years, Graph Neural Network (GNN) has bloomly progressed for its power in processing graph-based data. Most GNNs follow a message passing scheme, and their expressive power is mathematically limited by the discriminative ability…

Machine Learning · Computer Science 2021-04-06 Alan J. X. Guo , Qing-Hu Hou , Ou Wu

Despite the remarkable success of Graph Neural Networks (GNNs), the common belief is that their representation power is limited and that they are at most as expressive as the Weisfeiler-Lehman (WL) algorithm. In this paper, we argue the…

Machine Learning · Computer Science 2023-07-25 Charilaos I. Kanatsoulis , Alejandro Ribeiro

In recent years, algorithms and neural architectures based on the Weisfeiler-Leman algorithm, a well-known heuristic for the graph isomorphism problem, emerged as a powerful tool for (supervised) machine learning with graphs and relational…

Machine Learning · Computer Science 2021-11-23 Christopher Morris , Matthias Fey , Nils M. Kriege

The $k$-dimensional Weisfeiler-Leman ($k$-WL) algorithm is a simple combinatorial algorithm that was originally designed as a graph isomorphism heuristic. It naturally finds applications in Babai's quasipolynomial time isomorphism…

Discrete Mathematics · Computer Science 2026-01-13 Martin Grohe , Moritz Lichter , Daniel Neuen , Pascal Schweitzer

Graph kernels based on the $1$-dimensional Weisfeiler-Leman algorithm and corresponding neural architectures recently emerged as powerful tools for (supervised) learning with graphs. However, due to the purely local nature of the…

Data Structures and Algorithms · Computer Science 2020-10-20 Christopher Morris , Gaurav Rattan , Petra Mutzel

We propose a novel method for topological analysis of unweighted graphs which is based on \textit{persistent homology}. The proposed method maps the input graph to a complete weighted graph where the weighting function maps each edge to a…

Algebraic Topology · Mathematics 2020-07-31 Padraig Corcoran