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Graph Neural Networks (GNNs) have been widely employed for feature representation learning in molecular graphs. Therefore, it is crucial to enhance the expressiveness of feature representation to ensure the effectiveness of GNNs. However, a…

Machine Learning · Computer Science 2024-09-16 Chengyu Yao , Hong Huang , Hang Gao , Fengge Wu , Haiming Chen , Junsuo Zhao

We perform topological data analysis on the internal states of convolutional deep neural networks to develop an understanding of the computations that they perform. We apply this understanding to modify the computations so as to (a) speed…

Machine Learning · Computer Science 2018-11-06 Gunnar Carlsson , Rickard Brüel Gabrielsson

Accurately restoring topology is both challenging and crucial in tubular structure extraction tasks, such as blood vessel segmentation and road network extraction. Diverging from traditional approaches based on pixel-level classification,…

Computer Vision and Pattern Recognition · Computer Science 2025-02-18 Zhao Zhang , Ziwei Zhao , Dong Wang , Liwei Wang

We propose a method for demonstrating sub community structure in scientific networks of relatively small size from analyzing databases of publications. Research relationships between the network members can be visualized as a graph with…

Social and Information Networks · Computer Science 2017-05-05 Steven B. Bradlow , Konstantinos Kapenekakis , Georgios Kydonakis , Xinwei Li , Jiarui Xu

The Mapper algorithm is a popular tool for visualization and data exploration in topological data analysis. We investigate an inverse problem for the Mapper algorithm: Given a dataset $X$ and a graph $G$, does there exist a set of Mapper…

Classical unsupervised learning methods like clustering and linear dimensionality reduction parametrize large-scale geometry when it is discrete or linear, while more modern methods from manifold learning find low dimensional representation…

Machine Learning · Computer Science 2025-09-23 Luis Scoccola , Uzu Lim , Heather A. Harrington

We revisit the effectiveness of topological descriptors for molecular graph classification and design a simple, yet strong baseline. We demonstrate that a simple approach to feature engineering - employing histogram aggregation of edge…

Machine Learning · Computer Science 2024-07-24 Jakub Adamczyk , Wojciech Czech

Genetic algorithms are a powerful tool in optimization for single and multi-modal functions. This paper provides an overview of their fundamentals with some analytical examples. In addition, we explore how they can be used as a parameter…

Graph kernels are kernel methods measuring graph similarity and serve as a standard tool for graph classification. However, the use of kernel methods for node classification, which is a related problem to graph representation learning, is…

Machine Learning · Computer Science 2019-10-08 Yu Tian , Long Zhao , Xi Peng , Dimitris N. Metaxas

Data analysis in high-dimensional spaces aims at obtaining a synthetic description of a data set, revealing its main structure and its salient features. We here introduce an approach providing this description in the form of a topography of…

Machine Learning · Statistics 2021-03-02 Maria d'Errico , Elena Facco , Alessandro Laio , Alex Rodriguez

With the emergence of graph databases, the task of frequent subgraph discovery has been extensively addressed. Although the proposed approaches in the literature have made this task feasible, the number of discovered frequent subgraphs is…

Databases · Computer Science 2013-08-16 Wajdi Dhifli , Mohamed Moussaoui , Rabie Saidi , Engelbert Mephu Nguifo

We consider the analysis of high dimensional data given in the form of a matrix with columns consisting of observations and rows consisting of features. Often the data is such that the observations do not reside on a regular grid, and the…

Machine Learning · Statistics 2017-08-22 Gal Mishne , Ronen Talmon , Israel Cohen , Ronald R. Coifman , Yuval Kluger

Graph neural networks have emerged as a promising approach for the analysis of non-Euclidean data such as meshes. In medical imaging, mesh-like data plays an important role for modelling anatomical structures, and shape classification can…

Computer Vision and Pattern Recognition · Computer Science 2022-11-01 Nairouz Shehata , Wulfie Bain , Ben Glocker

Seismic tomography is a methodology to image subsurface properties of the Earth. In order to better interpret the resulting images, it is important to assess uncertainty in the results. Mixture density networks (MDNs) provide an efficient…

Geophysics · Physics 2024-12-12 Xin Zhang , Yan Wang , Haijiang Zhang

Genetic Programming (GP) is an evolutionary algorithm commonly used for machine learning tasks. In this paper we present a method that allows GP to transform the representation of a large-scale machine learning dataset into a more compact…

Neural and Evolutionary Computing · Computer Science 2018-02-21 Lino Rodriguez-Coayahuitl , Alicia Morales-Reyes , Hugo Jair Escalante

Accurate tumor classification is essential for selecting effective treatments, but current methods have limitations. Standard tumor grading, which categorizes tumors based on cell differentiation, is not recommended as a stand-alone…

Computer Vision and Pattern Recognition · Computer Science 2025-02-11 Marianne Abémgnigni Njifon , Tobias Weber , Viktor Bezborodov , Tyll Krueger , Dominic Schuhmacher

Stratifying cancer patients based on their gene expression levels allows improving diagnosis, survival analysis and treatment planning. However, such data is extremely highly dimensional as it contains expression values for over 20000 genes…

We present ShapeVis, a scalable visualization technique for point cloud data inspired from topological data analysis. Our method captures the underlying geometric and topological structure of the data in a compressed graphical…

Machine Learning · Computer Science 2020-01-22 Nupur Kumari , Siddarth R. , Akash Rupela , Piyush Gupta , Balaji Krishnamurthy

This research presents a machine-learning approach for tumor detection in medical images using convolutional neural networks (CNNs). The study focuses on preprocessing techniques to enhance image features relevant to tumor detection,…

Image and Video Processing · Electrical Eng. & Systems 2024-03-01 Ha Anh Vu

A supervised diagnosis system for digital mammogram is developed. The diagnosis processes are done by transforming the data of the images into a feature vector using wavelets multilevel decomposition. This vector is used as the feature…

Image and Video Processing · Electrical Eng. & Systems 2020-03-09 Essam A. Rashed , and Mohamed G. Awad