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Inferring topological and geometrical information from data can offer an alternative perspective on machine learning problems. Methods from topological data analysis, e.g., persistent homology, enable us to obtain such information,…

Computer Vision and Pattern Recognition · Computer Science 2018-02-19 Christoph Hofer , Roland Kwitt , Marc Niethammer , Andreas Uhl

Graph neural networks (GNNs) are prominent for their effectiveness in processing graph data for semi-supervised node classification tasks. Most works of GNNs assume that the observed structure accurately represents the underlying node…

Machine Learning · Computer Science 2024-11-08 Shuangjie Li , Jiangqing Song , Baoming Zhang , Gaoli Ruan , Junyuan Xie , Chongjun Wang

Recently a new feature representation and data analysis methodology based on a topological tool called persistent homology (and its corresponding persistence diagram summary) has started to attract momentum. A series of methods have been…

Computational Geometry · Computer Science 2019-12-13 Qi Zhao , Yusu Wang

The rise of graph-structured data has driven major advances in Graph Machine Learning (GML), where graph embeddings (GEs) map features from Knowledge Graphs (KGs) into vector spaces, enabling tasks like node classification and link…

Machine Learning · Computer Science 2026-01-27 Rosario Napoli , Gabriele Morabito , Antonio Celesti , Massimo Villari , Maria Fazio

Graph filters are a staple tool for processing signals over graphs in a multitude of downstream tasks. However, they are commonly designed for graphs with a fixed number of nodes, despite real-world networks typically grow over time. This…

Machine Learning · Computer Science 2024-09-12 Bishwadeep Das , Elvin Isufi

Graph learning (GL) can dynamically capture the distribution structure (graph structure) of data based on graph convolutional networks (GCN), and the learning quality of the graph structure directly influences GCN for semi-supervised…

Computer Vision and Pattern Recognition · Computer Science 2020-06-01 Guangfeng Lin , Xiaobing Kang , Kaiyang Liao , Fan Zhao , Yajun Chen

The irreducible complexity of natural phenomena has led Graph Neural Networks to be employed as a standard model to perform representation learning tasks on graph-structured data. While their capacity to capture local and global patterns is…

Machine Learning · Computer Science 2024-02-13 Lorenzo Giusti

Graph representation learning has emerged as a powerful tool for preserving graph topology when mapping nodes to vector representations, enabling various downstream tasks such as node classification and community detection. However, most…

Machine Learning · Computer Science 2025-03-21 Kaizhe Fan , Quanjun Li

Prediction and discovery of new materials with desired properties are at the forefront of quantum science and technology research. A major bottleneck in this field is the computational resources and time complexity related to finding new…

Graph neural networks (GNNs) often struggle to learn discriminative node representations for heterophilic graphs, where connected nodes tend to have dissimilar labels and feature similarity provides weak structural cues. We propose…

Machine Learning · Computer Science 2025-12-30 Ayushman Raghuvanshi , Gonzalo Mateos , Sundeep Prabhakar Chepuri

Graph-structured data consisting of objects (i.e., nodes) and relationships among objects (i.e., edges) are ubiquitous. Graph-level learning is a matter of studying a collection of graphs instead of a single graph. Traditional graph-level…

Machine Learning · Computer Science 2022-06-01 Ge Zhang , Jia Wu , Jian Yang , Shan Xue , Wenbin Hu , Chuan Zhou , Hao Peng , Quan Z. Sheng , Charu Aggarwal

Graph pattern matching is often defined in terms of subgraph isomorphism, an NP-complete problem. To lower its complexity, various extensions of graph simulation have been considered instead. These extensions allow pattern matching to be…

Databases · Computer Science 2012-01-04 Shuai Ma , Yang Cao , Wenfei Fan , Jinpeng Huai , Tianyu Wo

Persistent homology is a powerful tool for characterizing the topology of a data set at various geometric scales. When applied to the description of molecular structures, persistent homology can capture the multiscale geometric features and…

Quantitative Methods · Quantitative Biology 2018-07-31 Zixuan Cang , Guo-Wei Wei

The Extended Persistent Homology Transform (XPHT) is a topological transform which takes as input a shape embedded in Euclidean space, and to each unit vector assigns the extended persistence module of the height function over that shape…

Algebraic Topology · Mathematics 2022-09-01 Katharine Turner , Vanessa Robins , James Morgan

Techniques from computational topology, in particular persistent homology, are becoming increasingly relevant for data analysis. Their stable metrics permit the use of many distance-based data analysis methods, such as multidimensional…

Algebraic Topology · Mathematics 2021-01-20 Bastian Rieck , Filip Sadlo , Heike Leitte

Subgraph pattern detection aims to uncover complex interaction structures in graphs. However, state-of-the-art graph neural network (GNN)-based solutions assume centralized access to the entire graph. When graphs are instead distributed…

Machine Learning · Computer Science 2026-05-08 Selin Ceydeli , Rui Wang , Kubilay Atasu

The success of graph embeddings or node representation learning in a variety of downstream tasks, such as node classification, link prediction, and recommendation systems, has led to their popularity in recent years. Representation learning…

Machine Learning · Computer Science 2018-09-07 Saba A. Al-Sayouri , Danai Koutra , Evangelos E. Papalexakis , Sarah S. Lam

Slow feature analysis (SFA) is an unsupervised-learning algorithm that extracts slowly varying features from a multi-dimensional time series. A supervised extension to SFA for classification and regression is graph-based SFA (GSFA). GSFA is…

Computer Vision and Pattern Recognition · Computer Science 2016-01-18 Alberto N. Escalante-B. , Laurenz Wiskott

Graph convolutional networks (GCNs) allow us to learn topologically-aware node embeddings, which can be useful for classification or link prediction. However, they are unable to capture long-range dependencies between nodes without adding…

Machine Learning · Computer Science 2023-08-17 Reza Namazi , Elahe Ghalebi , Sinead Williamson , Hamidreza Mahyar

Graphs have a superior ability to represent relational data, like chemical compounds, proteins, and social networks. Hence, graph-level learning, which takes a set of graphs as input, has been applied to many tasks including comparison,…

Machine Learning · Computer Science 2023-05-26 Zhenyu Yang , Ge Zhang , Jia Wu , Jian Yang , Quan Z. Sheng , Shan Xue , Chuan Zhou , Charu Aggarwal , Hao Peng , Wenbin Hu , Edwin Hancock , Pietro Liò
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