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The natural world is full of complex systems characterized by intricate relations between their components: from social interactions between individuals in a social network to electrostatic interactions between atoms in a protein.…

Machine Learning · Computer Science 2024-02-23 Mathilde Papillon , Sophia Sanborn , Mustafa Hajij , Nina Miolane

Topological deep learning (TDL) is a rapidly growing field that seeks to leverage topological structure in data and facilitate learning from data supported on topological objects, ranging from molecules to 3D shapes. Most TDL architectures…

Machine Learning · Computer Science 2025-02-13 Yam Eitan , Yoav Gelberg , Guy Bar-Shalom , Fabrizio Frasca , Michael Bronstein , Haggai Maron

Due to their ability to model meaningful higher order relations among a set of entities, higher order network models have emerged recently as a powerful alternative for graph-based network models which are only capable of modeling binary…

Machine Learning · Computer Science 2023-12-20 Karthikeyan Natesan Ramamurthy , Aldo Guzmán-Sáenz , Mustafa Hajij

Recently emerged Topological Deep Learning (TDL) methods aim to extend current Graph Neural Networks (GNN) by naturally processing higher-order interactions, going beyond the pairwise relations and local neighborhoods defined by graph…

Long-range interactions are essential for the correct description of complex systems in many scientific fields. The price to pay for including them in the calculations, however, is a dramatic increase in the overall computational costs.…

Graph-based recommender systems have achieved remarkable effectiveness by modeling high-order interactions between users and items. However, such approaches are significantly undermined by popularity bias, which distorts the interaction…

Information Retrieval · Computer Science 2025-05-21 Yanbiao Ji , Yue Ding , Dan Luo , Chang Liu , Yuxiang Lu , Xin Xin , Hongtao Lu

Message Passing Neural Networks (MPNNs) are instances of Graph Neural Networks that leverage the graph to send messages over the edges. This inductive bias leads to a phenomenon known as over-squashing, where a node feature is insensitive…

Machine Learning · Computer Science 2023-05-25 Francesco Di Giovanni , Lorenzo Giusti , Federico Barbero , Giulia Luise , Pietro Lio' , Michael Bronstein

Topological Deep Learning (TDL) has emerged as a paradigm to process and learn from signals defined on higher-order combinatorial topological spaces, such as simplicial or cell complexes. Although many complex systems have an asymmetric…

Machine Learning · Computer Science 2025-01-17 Manuel Lecha , Andrea Cavallo , Francesca Dominici , Elvin Isufi , Claudio Battiloro

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 deep learning (TDL) is a rapidly evolving field that uses topological features to understand and design deep learning models. This paper posits that TDL is the new frontier for relational learning. TDL may complement graph…

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…

Combinatorial and topological structures, such as graphs, simplicial complexes, and cell complexes, form the foundation of geometric and topological deep learning (GDL and TDL) architectures. These models aggregate signals over such…

Machine Learning · Computer Science 2026-05-28 Chuan-Shen Hu

Hypergraphs effectively model higher-order relationships in natural phenomena, capturing complex interactions beyond pairwise connections. We introduce a novel hypergraph message passing framework inspired by interacting particle systems,…

Machine Learning · Computer Science 2025-05-27 Yixuan Ma , Kai Yi , Pietro Lio , Shi Jin , Yu Guang Wang

Recently, message-passing Neural networks (MPNN) provide a promising tool for dealing with molecular graphs and have achieved remarkable success in facilitating the discovery and materials design with desired properties. However, the…

Materials Science · Physics 2023-07-12 Hai Lan , Xian Wei

The pairwise interaction paradigm of graph machine learning has predominantly governed the modelling of relational systems. However, graphs alone cannot capture the multi-level interactions present in many complex systems and the expressive…

Machine Learning · Computer Science 2021-06-15 Cristian Bodnar , Fabrizio Frasca , Yu Guang Wang , Nina Otter , Guido Montúfar , Pietro Liò , Michael Bronstein

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

Message Passing Neural Networks (MPNNs) hold a key position in machine learning on graphs, but they struggle with unintended behaviors, such as over-smoothing and over-squashing, due to irregular data structures. The observation and…

Machine Learning · Computer Science 2025-08-26 Junhyun Lee , Veronika Thost , Bumsoo Kim , Jaewoo Kang , Tengfei Ma

Hypergraphs are widely adopted tools to examine systems with higher-order interactions. Despite recent advancements in methods for community detection in these systems, we still lack a theoretical analysis of their detectability limits.…

Social and Information Networks · Computer Science 2024-10-10 Nicolò Ruggeri , Alessandro Lonardi , Caterina De Bacco

Hypergraphs are vital in modelling data with higher-order relations containing more than two entities, gaining prominence in machine learning and signal processing. Many hypergraph neural networks leverage message passing over hypergraph…

Machine Learning · Computer Science 2025-08-09 Bohan Tang , Siheng Chen , Xiaowen Dong

The message passing framework is the foundation of the immense success enjoyed by graph neural networks (GNNs) in recent years. In spite of its elegance, there exist many problems it provably cannot solve over given input graphs. This has…

Machine Learning · Computer Science 2022-02-23 Petar Veličković
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