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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

We present a novel set of rigorous and computationally efficient topology-based complexity notions that exhibit a strong correlation with the generalization gap in modern deep neural networks (DNNs). DNNs show remarkable generalization…

Machine Learning · Computer Science 2024-12-17 Rayna Andreeva , Benjamin Dupuis , Rik Sarkar , Tolga Birdal , Umut Şimşekli

In comparison to classical shallow representation learning techniques, deep neural networks have achieved superior performance in nearly every application benchmark. But despite their clear empirical advantages, it is still not well…

Machine Learning · Computer Science 2022-01-11 Calvin Murdock , George Cazenavette , Simon Lucey

Networks are a powerful tool to model complex systems, and the definition of many Graph Neural Networks (GNN), Deep Learning algorithms that can handle networks, has opened a new way to approach many real-world problems that would be hardly…

Machine Learning · Computer Science 2021-09-28 Marco Grassia , Manlio De Domenico , Giuseppe Mangioni

After a somewhat rocky start, geometry and topology have established a foothold in machine learning. Message passing, either on graphs or higher-order complexes, is one of the main drivers of geometric deep learning, and paradigms that were…

Machine Learning · Computer Science 2026-05-11 Bastian Rieck

Graph Neural Networks (GNNs) have emerged as the leading paradigm for learning over graph-structured data. However, their performance is limited by issues inherent to graph topology, most notably oversquashing and oversmoothing. Recent…

Machine Learning · Computer Science 2025-08-29 Hugo Attali , Thomas Papastergiou , Nathalie Pernelle , Fragkiskos D. Malliaros

Although hypergraph neural networks (HGNNs) have emerged as a powerful framework for analyzing complex datasets, their practical performance often remains limited. On one hand, existing networks typically employ a single type of attention…

Machine Learning · Computer Science 2025-11-14 Murong Yang , Shihui Ying , Yue Gao , Xin-Jian Xu

Standard deep neural networks (DNNs) are commonly trained in an end-to-end fashion for specific tasks such as object recognition, face identification, or character recognition, among many examples. This specificity often leads to…

Computer Vision and Pattern Recognition · Computer Science 2020-07-14 Raphaël Achddou , J. Matias di Martino , Guillermo Sapiro

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…

Tabular data, structured as rows and columns, is among the most prevalent data types in machine learning classification and regression applications. Models for learning from tabular data have continuously evolved, with Deep Neural Networks…

Machine Learning · Computer Science 2025-04-24 Jun-Peng Jiang , Si-Yang Liu , Hao-Run Cai , Qile Zhou , Han-Jia Ye

Recently, text classification model based on graph neural network (GNN) has attracted more and more attention. Most of these models adopt a similar network paradigm, that is, using pre-training node embedding initialization and two-layer…

Computation and Language · Computer Science 2023-01-26 Jiayuan Chen , Boyu Zhang , Yinfei Xu , Meng Wang

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 propose Scalable Message Passing Neural Networks (SMPNNs) and demonstrate that, by integrating standard convolutional message passing into a Pre-Layer Normalization Transformer-style block instead of attention, we can produce…

Machine Learning · Computer Science 2026-03-11 Haitz Sáez de Ocáriz Borde , Artem Lukoianov , Anastasis Kratsios , Michael Bronstein , Xiaowen Dong

Most of the current hypergraph learning methodologies and benchmarking datasets in the hypergraph realm are obtained by lifting procedures from their graph analogs, leading to overshadowing specific characteristics of hypergraphs. This…

Artificial Intelligence · Computer Science 2025-03-19 Lev Telyatnikov , Maria Sofia Bucarelli , Guillermo Bernardez , Olga Zaghen , Simone Scardapane , Pietro Lio

Graph neural networks (GNNs) have demonstrated their effectiveness in various tasks supported by their generalization capabilities. However, the current analysis of GNN generalization relies on the assumption that training and testing data…

Machine Learning · Computer Science 2024-09-11 Zhiyang Wang , Juan Cervino , Alejandro Ribeiro

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) 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

While the last five years have seen considerable progress in understanding the internal representations of deep learning models, many questions remain. This is especially true when trying to understand the impact of model design choices,…

Machine Learning · Computer Science 2023-12-08 Henry Kvinge , Grayson Jorgenson , Davis Brown , Charles Godfrey , Tegan Emerson

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

Modern machine learning systems based on neural networks have shown great success in learning complex data patterns while being able to make good predictions on unseen data points. However, the limited interpretability of these systems…

Machine Learning · Computer Science 2020-07-22 Sarath Shekkizhar , Antonio Ortega