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Nowadays, the coupling of electronic structure and machine learning techniques serves as a powerful tool to predict chemical and physical properties of a broad range of systems. With the aim of improving the accuracy of predictions, a large…

The graphlet kernel is a classical method in graph classification. It however suffers from a high computation cost due to the isomorphism test it includes. As a generic proxy, and in general at the cost of losing some information, this test…

Machine Learning · Computer Science 2020-10-19 Hashem Ghanem , Nicolas Keriven , Nicolas Tremblay

Hyperspectral image classification (HIC) is an important but challenging task, and a problem that limits the algorithmic development in this field is that the ground truths of hyperspectral images (HSIs) are extremely hard to obtain.…

Computer Vision and Pattern Recognition · Computer Science 2020-12-22 Hao Zeng , Qingjie Liu , Mingming Zhang , Xiaoqing Han , Yunhong Wang

A hypergraph is a useful combinatorial object to model ternary or higher-order relations among entities. Clustering hypergraphs is a fundamental task in network analysis. In this study, we develop two clustering algorithms based on…

Data Structures and Algorithms · Computer Science 2021-10-27 Yuuki Takai , Atsushi Miyauchi , Masahiro Ikeda , Yuichi Yoshida

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

A commonly used paradigm for representing graphs is to use a vector that contains normalized frequencies of occurrence of certain motifs or sub-graphs. This vector representation can be used in a variety of applications, such as, for…

Machine Learning · Computer Science 2014-03-05 Pinar Yanardag , S. V. N. Vishwanathan

Graph similarity learning, crucial for tasks such as graph classification and similarity search, focuses on measuring the similarity between two graph-structured entities. The core challenge in this field is effectively managing the…

Information Retrieval · Computer Science 2025-02-26 Zenghui Chang , Yiqiao Zhang , Hong Cai Chen

Recently, a number of variants of the notion of cut-preserving hypergraph sparsification have been studied in the literature. These variants include directed hypergraph sparsification, submodular hypergraph sparsification, general notions…

Data Structures and Algorithms · Computer Science 2024-02-21 Sanjeev Khanna , Aaron L. Putterman , Madhu Sudan

In this work, we propose to study the utility of different meta-graphs, as well as how to simultaneously leverage multiple meta-graphs for HIN embedding in an unsupervised manner. Motivated by prolific research on homogeneous networks,…

Machine Learning · Computer Science 2019-10-02 Carl Yang , Yichen Feng , Pan Li , Yu Shi , Jiawei Han

Constructing a similarity graph from a set $X$ of data points in $\mathbb{R}^d$ is the first step of many modern clustering algorithms. However, typical constructions of a similarity graph have high time complexity, and a quadratic space…

Data Structures and Algorithms · Computer Science 2023-10-24 Peter Macgregor , He Sun

Graph-based clustering methods like spectral clustering and SpectralNet are very efficient in detecting clusters of non-convex shapes. Unlike the popular $k$-means, graph-based clustering methods do not assume that each cluster has a single…

Machine Learning · Computer Science 2023-02-28 Mashaan Alshammari , John Stavrakakis , Masahiro Takatsuka

Kernel-based methods enjoy powerful generalization capabilities in handling a variety of learning tasks. When such methods are provided with sufficient training data, broadly-applicable classes of nonlinear functions can be approximated…

Machine Learning · Statistics 2017-12-29 Fatemeh Sheikholeslami , Dimitris Berberidis , Georgios B. Giannakis

Modern graph or network datasets often contain rich structure that goes beyond simple pairwise connections between nodes. This calls for complex representations that can capture, for instance, edges of different types as well as so-called…

Social and Information Networks · Computer Science 2020-02-19 Ilya Amburg , Nate Veldt , Austin R. Benson

Kernel density estimation is a simple and effective method that lies at the heart of many important machine learning applications. Unfortunately, kernel methods scale poorly for large, high dimensional datasets. Approximate kernel density…

Data Structures and Algorithms · Computer Science 2019-12-06 Benjamin Coleman , Anshumali Shrivastava

Graph clustering aims at discovering a natural grouping of the nodes such that similar nodes are assigned to a common cluster. Many different algorithms have been proposed in the literature: for simple graphs, for graphs with attributes…

Machine Learning · Computer Science 2023-11-06 Ylli Sadikaj , Yllka Velaj , Sahar Behzadi , Claudia Plant

Hypergraph partitioning is an important problem in machine learning, computer vision and network analytics. A widely used method for hypergraph partitioning relies on minimizing a normalized sum of the costs of partitioning hyperedges…

Machine Learning · Computer Science 2017-11-06 Pan Li , Olgica Milenkovic

We describe the design of a reproducing kernel suitable for attributed graphs, in which the similarity between the two graphs is defined based on the neighborhood information of the graph nodes with the aid of a product graph formulation.…

Artificial Intelligence · Computer Science 2022-01-21 Asif Salim , Shiju. S. S , Sumitra. S

Hyperbolic geometry has emerged as a powerful tool for modeling complex, structured data, particularly where hierarchical or tree-like relationships are present. By enabling embeddings with lower distortion, hyperbolic neural networks offer…

Machine Learning · Computer Science 2025-06-18 Pol Arévalo , Alexis Molina , Álvaro Ciudad

Hypergraphs have gained increasing attention in the machine learning community lately due to their superiority over graphs in capturing super-dyadic interactions among entities. In this work, we propose a novel approach for the partitioning…

Machine Learning · Computer Science 2020-11-17 Deepak Maurya , Balaraman Ravindran

The rapid development of reliable Quantum Processing Units (QPU) opens up novel computational opportunities for machine learning. Here, we introduce a procedure for measuring the similarity between graph-structured data, based on the…

Quantum Physics · Physics 2021-09-29 Louis-Paul Henry , Slimane Thabet , Constantin Dalyac , Loïc Henriet