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The structure of a protein is crucial in determining its functionality, and is much more conserved than sequence during evolution. A key task in structural biology is to compare protein structures in order to determine evolutionary…

Methodology · Statistics 2019-11-06 Christopher Fallaize , Peter Green , Kanti Mardia , Stuart Barber

Graph convolutional networks have been successful in addressing graph-based tasks such as semi-supervised node classification. Existing methods use a network structure defined by the user based on experimentation with fixed number of layers…

Machine Learning · Computer Science 2021-01-21 Negar Heidari , Alexandros Iosifidis

Networks offer a powerful approach to modeling complex systems by representing the underlying set of pairwise interactions. Link prediction is the task that predicts links of a network that are not directly visible, with profound…

Physics and Society · Physics 2024-04-22 Yijun Ran , Xiao-Ke Xu , Tao Jia

Link prediction is an important learning task for graph-structured data. In this paper, we propose a novel topological approach to characterize interactions between two nodes. Our topological feature, based on the extended persistent…

Machine Learning · Computer Science 2021-06-15 Zuoyu Yan , Tengfei Ma , Liangcai Gao , Zhi Tang , Chao Chen

Link prediction problem has increasingly become prominent in many domains such as social network analyses, bioinformatics experiments, transportation networks, criminal investigations and so forth. A variety of techniques has been developed…

Artificial Intelligence · Computer Science 2023-05-18 Safiye Ghasemi , Amin Zarei

Unsupervised machine learning, and in particular data clustering, is a powerful approach for the analysis of datasets and identification of characteristic features occurring throughout a dataset. It is gaining popularity across scientific…

Mesoscale and Nanoscale Physics · Physics 2021-03-23 Maria El Abbassi , Jan Overbeck , Oliver Braun , Michel Calame , Herre S. J. van der Zant , Mickael L. Perrin

Automated identification of protein conformational states from simulation of an ensemble of structures is a hard problem because it requires teaching a computer to recognize shapes. We adapt the naive Bayes classifier from the machine…

Computational Physics · Physics 2020-12-02 David M. Rogers

The information contained in hierarchical topology, intrinsic to many networks, is currently underutilised. A novel architecture is explored which exploits this information through a multiscale decomposition. A dendrogram is produced by a…

Machine Learning · Computer Science 2020-06-24 Alex Lipov , Pietro Liò

Clustering of proteins is of interest in cancer cell biology. This article proposes a hierarchical Bayesian model for protein (variable) clustering hinging on correlation structure. Starting from a multivariate normal likelihood, we enforce…

Computation · Statistics 2022-02-09 Riddhi Pratim Ghosh , Arnab Kumar Maity , Mohsen Pourahmadi , Bani K. Mallick

Graph clustering is a fundamental problem in unsupervised learning, with numerous applications in computer science and in analysing real-world data. In many real-world applications, we find that the clusters have a significant high-level…

Data Structures and Algorithms · Computer Science 2023-01-02 Peter Macgregor

Graph-based clustering methods have demonstrated the effectiveness in various applications. Generally, existing graph-based clustering methods first construct a graph to represent the input data and then partition it to generate the…

Machine Learning · Computer Science 2019-12-17 Yuheng Jia , Hui Liu , Junhui Hou , Sam Kwong

Graph representation learning is a fast-growing field where one of the main objectives is to generate meaningful representations of graphs in lower-dimensional spaces. The learned embeddings have been successfully applied to perform various…

Machine Learning · Computer Science 2021-12-21 Md. Khaledur Rahman , Ariful Azad

As a natural extension of link prediction on graphs, hyperlink prediction aims for the inference of missing hyperlinks in hypergraphs, where a hyperlink can connect more than two nodes. Hyperlink prediction has applications in a wide range…

Machine Learning · Computer Science 2023-07-07 Can Chen , Yang-Yu Liu

This paper describes a new approach for learning structures of large Bayesian networks based on blocks resulting from feature space clustering. This clustering is obtained using normalized mutual information. And the subsequent aggregation…

Machine Learning · Statistics 2022-08-30 Anna V. Bubnova

Protein-protein interactions (PPIs) play key roles in a broad range of biological processes. Numerous strategies have been proposed for predicting PPIs, and among them, graph-based methods have demonstrated promising outcomes owing to the…

Machine Learning · Computer Science 2024-04-19 Mingda Xu , Peisheng Qian , Ziyuan Zhao , Zeng Zeng , Jianguo Chen , Weide Liu , Xulei Yang

Knowledge graphs have been shown to play a significant role in current knowledge mining fields, including life sciences, bioinformatics, computational social sciences, and social network analysis. The problem of link prediction bears many…

Social and Information Networks · Computer Science 2024-09-19 Jens Dörpinghaus , Tobias Hübenthal , Denis Stepanov

We perform theoretical and algorithmic studies for the problem of clustering and semi-supervised classification on graphs with both pairwise relational information and single-point feature information, upon a joint stochastic block model…

Statistical Mechanics · Physics 2020-09-02 Pengfei Zhou , Tianyi Li , Pan Zhang

Studying the topology of so-called {\em real networks}, that is networks obtained from sociological or biological data for instance, has become a major field of interest in the last decade. One way to deal with it is to consider that…

Applications · Statistics 2010-11-23 Etienne Birmele

Actin cytoskeleton networks generate local topological signatures due to the natural variations in the number, size, and shape of holes of the networks. Persistent homology is a method that explores these topological properties of data and…

Machine Learning · Statistics 2020-09-28 Vasileios Maroulas , Cassie Putman Micucci , Farzana Nasrin

Constructing the adjacency graph is fundamental to graph-based clustering. Graph learning in kernel space has shown impressive performance on a number of benchmark data sets. However, its performance is largely determined by the chosen…

Machine Learning · Computer Science 2019-03-15 Zhao Kang , Liangjian Wen , Wenyu Chen , Zenglin Xu
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