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In modern relational machine learning it is common to encounter large graphs that arise via interactions or similarities between observations in many domains. Further, in many cases the target entities for analysis are actually signals on…

This paper presents a spectral framework for quantifying the differentiation between graph data samples by introducing a novel metric named Graph Geodesic Distance (GGD). For two different graphs with the same number of nodes, our framework…

Machine Learning · Computer Science 2025-08-18 Soumen Sikder Shuvo , Ali Aghdaei , Zhuo Feng

We present Graph Random Neural Features (GRNF), a novel embedding method from graph-structured data to real vectors based on a family of graph neural networks. The embedding naturally deals with graph isomorphism and preserves the metric…

Machine Learning · Computer Science 2020-06-03 Daniele Zambon , Cesare Alippi , Lorenzo Livi

Graph Neural Networks (GNNs) have shown great power in various domains. However, their predictions may inherit societal biases on sensitive attributes, limiting their adoption in real-world applications. Although many efforts have been…

Machine Learning · Computer Science 2023-06-21 Huaisheng Zhu , Guoji Fu , Zhimeng Guo , Zhiwei Zhang , Teng Xiao , Suhang Wang

Graph generation is a crucial task in many fields, including network science and bioinformatics, as it enables the creation of synthetic graphs that mimic the properties of real-world networks for various applications. Graph Generative…

Machine Learning · Computer Science 2026-01-21 Salvatore Romano , Marco Grassia , Giuseppe Mangioni

Understanding generalization and robustness of machine learning models fundamentally relies on assuming an appropriate metric on the data space. Identifying such a metric is particularly challenging for non-Euclidean data such as graphs.…

Machine Learning · Computer Science 2022-10-06 Ching-Yao Chuang , Stefanie Jegelka

Graphs are ubiquitous in social networks and biochemistry, where Graph Neural Networks (GNN) are the state-of-the-art models for prediction. Graphs can be evolving and it is vital to formally model and understand how a trained GNN responds…

Machine Learning · Computer Science 2024-03-12 Yazheng Liu , Xi Zhang , Sihong Xie

We present a framework for embedding graph structured data into a vector space, taking into account node features and topology of a graph into the optimal transport (OT) problem. Then we propose a novel distance between two graphs, named…

Machine Learning · Computer Science 2023-07-04 Dai Hai Nguyen , Koji Tsuda

Graphs are versatile tools for representing structured data. As a result, a variety of machine learning methods have been studied for graph data analysis. Although many such learning methods depend on the measurement of differences between…

Machine Learning · Statistics 2021-06-18 Tomoki Yoshida , Ichiro Takeuchi , Masayuki Karasuyama

Many applications in pattern recognition represent patterns as a geometric graph. The geometric graph distance (GGD) has recently been studied as a meaningful measure of similarity between two geometric graphs. Since computing the GGD is…

Computational Geometry · Computer Science 2023-06-12 Sushovan Majhi

Pairwise comparison of graphs is key to many applications in Machine learning ranging from clustering, kernel-based classification/regression and more recently supervised graph prediction. Distances between graphs usually rely on…

Machine Learning · Statistics 2023-09-29 Junjie Yang , Matthieu Labeau , Florence d'Alché-Buc

Proteins perform much of the work in living organisms, and consequently the development of efficient computational methods for protein representation is essential for advancing large-scale biological research. Most current approaches…

Quantitative Methods · Quantitative Biology 2023-06-09 Francesco Ceccarelli , Lorenzo Giusti , Sean B. Holden , Pietro Liò

Distance measures between graphs are important primitives for a variety of learning tasks. In this work, we describe an unsupervised, optimal transport based approach to define a distance between graphs. Our idea is to derive…

Computational Engineering, Finance, and Science · Computer Science 2024-04-11 Michael Scholkemper , Damin Kühn , Gerion Nabbefeld , Simon Musall , Björn Kampa , Michael T. Schaub

Current Graph Neural Networks (GNN) architectures generally rely on two important components: node features embedding through message passing, and aggregation with a specialized form of pooling. The structural (or topological) information…

Machine Learning · Computer Science 2022-06-01 Cédric Vincent-Cuaz , Rémi Flamary , Marco Corneli , Titouan Vayer , Nicolas Courty

Graph neural networks (GNNs) enable the analysis of graphs using deep learning, with promising results in capturing structured information in graphs. This paper focuses on creating a small graph to represent the original graph, so that GNNs…

Machine Learning · Computer Science 2022-06-29 Mengyang Liu , Shanchuan Li , Xinshi Chen , Le Song

The choice of good distances and similarity measures between objects is important for many machine learning methods. Therefore, many metric learning algorithms have been developed in recent years, mainly for Euclidean data in order to…

Machine Learning · Computer Science 2022-12-23 Yacouba Kaloga , Pierre Borgnat , Amaury Habrard

Graph comparison deals with identifying similarities and dissimilarities between graphs. A major obstacle is the unknown alignment of graphs, as well as the lack of accurate and inexpensive comparison metrics. In this work we introduce the…

Machine Learning · Computer Science 2021-12-09 Hermina Petric Maretic , Mireille El Gheche , Giovanni Chierchia , Pascal Frossard

In this paper, a new measurement to compare two large-scale graphs based on the theory of quantum probability is proposed. An explicit form for the spectral distribution of the corresponding adjacency matrix of a graph is established. Our…

Discrete Mathematics · Computer Science 2018-07-03 Hayoung Choi , Hosoo Lee , Yifei Shen , Yuanming Shi

Graph similarity search is a common and fundamental operation in graph databases. One of the most popular graph similarity measures is the Graph Edit Distance (GED) mainly because of its broad applicability and high interpretability.…

Databases · Computer Science 2018-01-25 Zijian Li , Xun Jian , Xiang Lian , Lei Chen

A geometric graph is a combinatorial graph, endowed with a geometry that is inherited from its embedding in a Euclidean space. Formulation of a meaningful measure of (dis-)similarity in both the combinatorial and geometric structures of two…

Computational Geometry · Computer Science 2022-09-27 Sushovan Majhi , Carola Wenk
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