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The importance of higher-order relations is widely recognized in a large number of real-world systems. However, annotating them is a tedious and sometimes impossible task. Consequently, current approaches for data modelling either ignore…

Machine Learning · Computer Science 2025-06-06 Iulia Duta , Pietro Liò

Strategies to improve the predicting performance of Message-Passing Neural-Networks for molecular property predictions can be achieved by simplifying how the message is passed and by using descriptors that capture multiple aspects of…

Machine Learning · Computer Science 2025-10-22 Alma C. Castaneda-Leautaud , Rommie E. Amaro

Simplicial complexes form an important class of topological spaces that are frequently used in many application areas such as computer-aided design, computer graphics, and simulation. Representation learning on graphs, which are just 1-d…

Machine Learning · Computer Science 2022-02-03 Mustafa Hajij , Ghada Zamzmi , Theodore Papamarkou , Vasileios Maroulas , Xuanting Cai

The message-passing mechanism helps Graph Neural Networks (GNNs) achieve remarkable results on various node classification tasks. Nevertheless, the recursive nodes fetching and aggregation in message-passing cause inference latency when…

Machine Learning · Computer Science 2022-10-19 Jie Chen , Shouzhen Chen , Mingyuan Bai , Junbin Gao , Junping Zhang , Jian Pu

In this paper, we present SIMAP, a novel layer integrated into deep learning models, aimed at enhancing the interpretability of the output. The SIMAP layer is an enhanced version of Simplicial-Map Neural Networks (SMNNs), an explainable…

Machine Learning · Computer Science 2024-03-25 Rocio Gonzalez-Diaz , Miguel A. Gutiérrez-Naranjo , Eduardo Paluzo-Hidalgo

Higher-order networks, naturally described as hypergraphs, are essential for modeling real-world systems involving interactions among three or more entities. Stochastic block models offer a principled framework for characterizing mesoscale…

Social and Information Networks · Computer Science 2025-11-27 Kazuki Nakajima , Yuya Sasaki , Takeaki Uno , Masaki Aida

With higher-order neighborhood information of graph network, the accuracy of graph representation learning classification can be significantly improved. However, the current higher order graph convolutional network has a large number of…

Machine Learning · Computer Science 2019-08-05 FangYuan Lei , Xun Liu , QingYun Dai , Bingo Wing-Kuen Ling , Huimin Zhao , Yan Liu

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

While Graph Neural Networks (GNNs) have proven highly effective at modeling relational data, pairwise connections cannot fully capture multi-way relationships naturally present in complex real-world systems. In response to this, Topological…

Machine Learning · Computer Science 2025-10-28 Martin Carrasco , Guillermo Bernardez , Marco Montagna , Nina Miolane , Lev Telyatnikov

Graph Neural Networks (GNNs) have become a prominent approach to machine learning with graphs and have been increasingly applied in a multitude of domains. Nevertheless, since most existing GNN models are based on flat message-passing…

Machine Learning · Computer Science 2022-10-27 Zhiqiang Zhong , Cheng-Te Li , Jun Pang

To better understand the structure and function of complex systems, researchers often represent direct interactions between components in complex systems with networks, assuming that indirect influence between distant components can be…

Physics and Society · Physics 2018-06-18 Renaud Lambiotte , Martin Rosvall , Ingo Scholtes

Generative models provide a powerful framework for probabilistic reasoning. However, in many domains their use has been hampered by the practical difficulties of inference. This is particularly the case in computer vision, where models of…

Computer Vision and Pattern Recognition · Computer Science 2015-01-28 Varun Jampani , S. M. Ali Eslami , Daniel Tarlow , Pushmeet Kohli , John Winn

Complex systems are often driven by higher-order interactions among multiple units, naturally represented as hypergraphs. Understanding dependency structures within these hypergraphs is crucial for understanding and predicting the behavior…

Social and Information Networks · Computer Science 2025-05-29 John Hood , Caterina De Bacco , Aaron Schein

Network data has become widespread, larger, and more complex over the years. Traditional network data is dyadic, capturing the relations among pairs of entities. With the need to model interactions among more than two entities, significant…

Social and Information Networks · Computer Science 2025-05-30 Hao Tian , Reza Zafarani

Sensor networks increasingly govern modern infrastructure, yet the data they lose are rarely missing in the uniform-random patterns assumed by standard imputation benchmarks. Loop detectors go offline during calibration, roadside cabinets…

Machine Learning · Computer Science 2026-05-19 Keshu Wu , Sixu Li , Zihao Li , Zhiwen Fan , Xiaopeng Li , Yang Zhou

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

Neural Processes (NPs) are powerful and flexible models able to incorporate uncertainty when representing stochastic processes, while maintaining a linear time complexity. However, NPs produce a latent description by aggregating independent…

Machine Learning · Computer Science 2020-09-30 Ben Day , Cătălina Cangea , Arian R. Jamasb , Pietro Liò

The goal of this paper is to establish the fundamental tools to analyze signals defined over a topological space, i.e. a set of points along with a set of neighborhood relations. This setup does not require the definition of a metric and…

Signal Processing · Electrical Eng. & Systems 2020-10-28 Sergio Barbarossa , Stefania Sardellitti

Despite an ever-increasing interest in topological deep learning models that target higher-order datasets, there is no consensus on how to evaluate such models. This is exacerbated by the fact that topological objects permit operations,…

Machine Learning · Computer Science 2026-05-08 Johannes S. Schmidt , Martin Carrasco , Ernst Röell , Guy Wolf , Nello Blaser , Bastian Rieck

Recent years have witnessed great success in handling graph-related tasks with Graph Neural Networks (GNNs). However, most existing GNNs are based on message passing to perform feature aggregation and transformation, where the structural…

Machine Learning · Computer Science 2024-09-10 Lirong Wu , Haitao Lin , Guojiang Zhao , Cheng Tan , Stan Z. Li