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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…

Machine Learning · Computer Science 2024-01-23 Jaeyoon Sim , Sooyeon Jeon , InJun Choi , Guorong Wu , Won Hwa Kim

Recent years have witnessed rapid advances in graph representation learning, with the continuous embedding approach emerging as the dominant paradigm. However, such methods encounter issues regarding parameter efficiency, interpretability,…

Machine Learning · Computer Science 2026-01-22 Qika Lin , Zhen Peng , Kaize Shi , Kai He , Yiming Xu , Jian Zhang , Erik Cambria , Mengling Feng

In recent years, new neural network architectures designed to operate on graph-structured data have pushed the state-of-the-art in the field. A large set of these architectures utilize a form of classical random walks to diffuse…

Quantum Physics · Physics 2018-06-18 Stefan Dernbach , Arman Mohseni-Kabir , Siddharth Pal , Don Towsley , Miles Gepner

We propose a novel QTGNN framework for detecting fraudulent transactions in large-scale financial networks. By integrating quantum embedding, variational graph convolutions, and topological data analysis, QTGNN captures complex transaction…

Machine Learning · Computer Science 2025-12-04 Mohammad Doost , Mohammad Manthouri

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…

Machine Learning · Computer Science 2020-11-03 Kai Ma , Peng Wan , Daoqiang Zhang

Quantum Kernel Estimation (QKE) is a technique based on leveraging a quantum computer to estimate a kernel function that is classically difficult to calculate, which is then used by a classical computer for training a Support Vector Machine…

Quantum Physics · Physics 2023-08-01 Marco Russo , Edoardo Giusto , Bartolomeo Montrucchio

Graph-structured data arise ubiquitously in many application domains. A fundamental problem is to quantify their similarities. Graph kernels are often used for this purpose, which decompose graphs into substructures and compare these…

Machine Learning · Computer Science 2020-03-26 Wei Ye , Zhen Wang , Rachel Redberg , Ambuj Singh

Large scale complex systems, such as social networks, electrical power grid, database structure, consumption pattern or brain connectivity, are often modeled using network graphs. Valuable insight can be gained by measuring the similarity…

Quantum Physics · Physics 2019-03-01 Callum Schofield , Jingbo B. Wang , Yuying Li

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

Topological data analysis is a rapidly developing area of data science where one tries to discover topological patterns in data sets to generate insight and knowledge discovery. In this project we use quantum walk algorithms to discover…

Quantum Physics · Physics 2021-06-23 Yuan Feng , Raffaele Miceli , Michael McGuigan

Representing and learning from graphs is essential for developing effective machine learning models tailored to non-Euclidean data. While Graph Neural Networks (GNNs) strive to address the challenges posed by complex, high-dimensional graph…

Quantum Physics · Physics 2025-01-15 Wenxuan Wang

A novel kernel-based support vector machine (SVM) for graph classification is proposed. The SVM feature space mapping consists of a sequence of graph convolutional layers, which generates a vector space representation for each vertex,…

Machine Learning · Computer Science 2020-08-05 Padraig Corcoran

The availability of graph data with node attributes that can be either discrete or real-valued is constantly increasing. While existing kernel methods are effective techniques for dealing with graphs having discrete node labels, their…

Machine Learning · Computer Science 2024-10-30 Giovanni Da San Martino , Nicolò Navarin , Alessandro Sperduti

In this paper, we develop a new graph kernel, namely the Hierarchical Transitive-Aligned kernel, by transitively aligning the vertices between graphs through a family of hierarchical prototype graphs. Comparing to most existing…

Social and Information Networks · Computer Science 2020-02-12 Lu Bai , Lixin Cui , Edwin R. Hancock

Diverse facets Of the Theory of Quantum Walks on Graph are reviewed Till now .In specific, Quantum network routing, Quantum Walk Search Algorithm, Element distinctness associated to the eigenvalues of Graphs and the use of these relation…

Data Structures and Algorithms · Computer Science 2018-02-01 Tewabe Chekole

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…

Data Structures and Algorithms · Computer Science 2015-11-20 Linus Hermansson , Fredrik D. Johansson , Osamu Watanabe

Molecular dynamics simulations are a central computational methodology in materials design for relating atomic composition to mechanical properties. However, simulating materials with atomic-level resolution on a macroscopic scale is…

Quantum machine learning (QML) is promising for potential speedups and improvements in conventional machine learning (ML) tasks (e.g., classification/regression). The search for ideal QML models is an active research field. This includes…

Quantum Physics · Physics 2022-02-07 Mahabubul Alam , Swaroop Ghosh

Quantum kernels hold significant promise for achieving computational advantages in quantum machine learning (QML), yet their effectiveness critically depends on the design of expressive and hardware-compatible feature maps, a challenge that…

Quantum Physics · Physics 2026-04-21 Fanxu Meng , Yuxiang Liu , Lu Wang , Sixuan Li , Xutao Yu , Zaichen Zhang

Graph kernels have been successfully applied to many graph classification problems. Typically, a kernel is first designed, and then an SVM classifier is trained based on the features defined implicitly by this kernel. This two-stage…