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Graph neural networks (GNNs) are a powerful architecture for tackling graph learning tasks, yet have been shown to be oblivious to eminent substructures such as cycles. We present TOGL, a novel layer that incorporates global topological…

Machine Learning · Computer Science 2022-03-18 Max Horn , Edward De Brouwer , Michael Moor , Yves Moreau , Bastian Rieck , Karsten Borgwardt

Hypergraphs, with their capacity to depict high-order relationships, have emerged as a significant extension of traditional graphs. Although Graph Neural Networks (GNNs) have remarkable performance in graph representation learning, their…

Machine Learning · Computer Science 2024-11-07 Khaled Mohammed Saifuddin , Mehmet Emin Aktas , Esra Akbas

The inner representation of deep neural networks (DNNs) is indecipherable, which makes it difficult to tune DNN models, control their training process, and interpret their outputs. In this paper, we propose a novel approach to investigate…

Machine Learning · Computer Science 2021-06-08 Satoru Watanabe , Hayato Yamana

Graph neural networks excel at modeling pairwise interactions, but they cannot flexibly accommodate higher-order interactions and features. Topological deep learning (TDL) has emerged recently as a promising tool for addressing this issue.…

Machine Learning · Computer Science 2025-02-07 Claudio Battiloro , Ege Karaismailoğlu , Mauricio Tec , George Dasoulas , Michelle Audirac , Francesca Dominici

Characterizing the structural properties of neural networks is crucial yet poorly understood, and there are no well-established similarity measures between networks. In this work, we observe that neural networks can be represented as…

Machine Learning · Computer Science 2021-06-01 David Pérez-Fernández , Asier Gutiérrez-Fandiño , Jordi Armengol-Estapé , Marta Villegas

Topological deep learning is a rapidly growing field that pertains to the development of deep learning models for data supported on topological domains such as simplicial complexes, cell complexes, and hypergraphs, which generalize many…

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

Topological neural networks (TNNs) are information processing architectures that model representations from data lying over topological spaces (e.g., simplicial or cell complexes) and allow for decentralized implementation through localized…

Information Theory · Computer Science 2025-02-17 Simone Fiorellino , Claudio Battiloro , Paolo Di Lorenzo

The standard cosmological model with cold dark matter posits a hierarchical formation of structures. We introduce topological neural networks (TNNs), implemented as message-passing neural networks on higher-order structures, to effectively…

Cosmology and Nongalactic Astrophysics · Physics 2025-08-06 Jun-Young Lee , Francisco Villaescusa-Navarro

Graph neural networks (GNNs) have emerged as a powerful tool for graph classification and representation learning. However, GNNs tend to suffer from over-smoothing problems and are vulnerable to graph perturbations. To address these…

Machine Learning · Computer Science 2021-11-01 Yuzhou Chen , Baris Coskunuzer , Yulia R. Gel

Information networks are becoming increasingly popular to capture complex relationships across various disciplines, such as social networks, citation networks, and biological networks. The primary challenge in this domain is measuring…

Algebraic Topology · Mathematics 2019-07-23 Mehmet Emin Aktas , Esra Akbas , Ahmed El Fatmaoui

Representational limits of message-passing graph neural networks (MP-GNNs), e.g., in terms of the Weisfeiler-Leman (WL) test for isomorphism, are well understood. Augmenting these graph models with topological features via persistent…

Machine Learning · Computer Science 2023-11-13 Johanna Immonen , Amauri H. Souza , Vikas Garg

Higher-order graph neural networks (HOGNNs) and the related architectures from Topological Deep Learning are an important class of GNN models that harness polyadic relations between vertices beyond plain edges. They have been used to…

Although deep learning approaches have had tremendous success in image, video and audio processing, computer vision, and speech recognition, their applications to three-dimensional (3D) biomolecular structural data sets have been hindered…

Quantitative Methods · Quantitative Biology 2017-11-01 Zixuan Cang , Guo-Wei Wei

Graph neural networks (GNNs) have gained prominence in recommendation systems in recent years. By representing the user-item matrix as a bipartite and undirected graph, GNNs have demonstrated their potential to capture short- and…

Information Retrieval · Computer Science 2023-11-29 Daniele Malitesta , Claudio Pomo , Tommaso Di Noia

Graph Neural Networks (GNNs) have shown remarkable success across various scientific fields, yet their adoption in critical decision-making is often hindered by a lack of interpretability. Recently, intrinsically interpretable GNNs have…

Machine Learning · Computer Science 2025-10-07 Cheng Xin , Fan Xu , Xin Ding , Jie Gao , Jiaxin Ding

Graph neural networks (GNNs) are a class of deep models that operate on data with arbitrary topology represented as graphs. We introduce an efficient memory layer for GNNs that can jointly learn node representations and coarsen the graph.…

Machine Learning · Computer Science 2020-06-11 Amir Hosein Khasahmadi , Kaveh Hassani , Parsa Moradi , Leo Lee , Quaid Morris

Graph classification is an important learning task for graph-structured data. Graph neural networks (GNNs) have recently gained growing attention in graph learning and have shown significant improvements in many important graph problems.…

Machine Learning · Computer Science 2024-01-31 Tao Wen , Elynn Chen , Yuzhou Chen

Modern deep neural networks have achieved great successes in medical image analysis. However, the features captured by convolutional neural networks (CNNs) or Transformers tend to be optimized for pixel intensities and neglect key…

Computer Vision and Pattern Recognition · Computer Science 2023-11-30 Yaopeng Peng , Hongxiao Wang , Milan Sonka , Danny Z. Chen

Graph Neural Networks (GNNs) effectively learn from relational data by leveraging graph symmetries. However, many real-world systems -- such as biological or social networks -- feature multi-way interactions that GNNs fail to capture.…

Machine Learning · Computer Science 2025-11-21 Mathilde Papillon , Guillermo Bernárdez , Claudio Battiloro , Nina Miolane
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