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Graph Neural Networks (GNNs) with equivariant properties have emerged as powerful tools for modeling complex dynamics of multi-object physical systems. However, their generalization ability is limited by the inadequate consideration of…

Machine Learning · Computer Science 2024-03-13 Yang Liu , Jiashun Cheng , Haihong Zhao , Tingyang Xu , Peilin Zhao , Fugee Tsung , Jia Li , Yu Rong

Many scientific problems require to process data in the form of geometric graphs. Unlike generic graph data, geometric graphs exhibit symmetries of translations, rotations, and/or reflections. Researchers have leveraged such inductive bias…

Machine Learning · Computer Science 2022-02-23 Jiaqi Han , Yu Rong , Tingyang Xu , Wenbing Huang

The problem of forecasting spatiotemporal events such as crimes and accidents is crucial to public safety and city management. Besides accuracy, interpretability is also a key requirement for spatiotemporal forecasting models to justify the…

Machine Learning · Computer Science 2024-12-23 Bang An , Xun Zhou , Zirui Zhou , Ronilo Ragodos , Zenglin Xu , Jun Luo

Graph Neural Networks (GNNs) have become a powerful tool for modeling and analyzing data with graph structures. The wide adoption in numerous applications underscores the value of these models. However, the complexity of these methods often…

Artificial Intelligence · Computer Science 2025-12-10 Tien Cuong Bui

We introduce GLOBE, a new neural surrogate for homogeneous PDEs that draws inductive bias from boundary-element methods and equivariant ML. GLOBE represents solutions as superpositions of learnable Green's-function-like kernels evaluated…

Machine Learning · Computer Science 2025-12-03 Peter Sharpe

Neural operators are neural network-based surrogate models for approximating solution operators of parametric partial differential equations, enabling efficient many-query computations in science and engineering. Many applications,…

Numerical Analysis · Mathematics 2026-02-03 Mingyu Han , Daniel Zhengyu Huang , Yuhan Wang , Yanshu Zhang , Jiayi Zhou

A barrier to the wider adoption of neural networks is their lack of interpretability. While local explanation methods exist for one prediction, most global attributions still reduce neural network decisions to a single set of features. In…

Machine Learning · Computer Science 2019-02-08 Mark Ibrahim , Melissa Louie , Ceena Modarres , John Paisley

Sparse autoencoders (SAEs) have proven useful in disentangling the opaque activations of neural networks, primarily large language models, into sets of interpretable features. However, adapting them to domains beyond language, such as…

Machine Learning · Computer Science 2025-11-13 Ege Erdogan , Ana Lucic

This paper presents RadioGUNet, a UNet-based deep learning framework for pathloss estimation in wireless communication. Unlike other frameworks, it leverages group equivariant convolutional networks, which are known to increase the…

Networking and Internet Architecture · Computer Science 2025-11-25 Ziyue Yang , Feng Liu , Yifei Jin , Konstantinos Vandikas

This paper introduces a new model to learn graph neural networks equivariant to rotations, translations, reflections and permutations called E(n)-Equivariant Graph Neural Networks (EGNNs). In contrast with existing methods, our work does…

Machine Learning · Computer Science 2022-02-17 Victor Garcia Satorras , Emiel Hoogeboom , Max Welling

We explain equivariant neural networks, a notion underlying breakthroughs in machine learning from deep convolutional neural networks for computer vision to AlphaFold 2 for protein structure prediction, without assuming knowledge of…

Machine Learning · Computer Science 2022-11-18 Lek-Heng Lim , Bradley J. Nelson

Graph neural networks (GNNs) have demonstrated a significant boost in prediction performance on graph data. At the same time, the predictions made by these models are often hard to interpret. In that regard, many efforts have been made to…

Machine Learning · Computer Science 2023-05-24 Yiqiao Li , Jianlong Zhou , Sunny Verma , Fang Chen

Gradual argumentation frameworks represent arguments and their relationships in a weighted graph. Their graphical structure and intuitive semantics makes them a potentially interesting tool for interpretable machine learning. It has been…

Machine Learning · Computer Science 2021-06-28 Jonathan Spieler , Nico Potyka , Steffen Staab

The set of functions parameterized by a linear fully-connected neural network is a determinantal variety. We investigate the subvariety of functions that are equivariant or invariant under the action of a permutation group. Examples of such…

Machine Learning · Computer Science 2025-01-13 Kathlén Kohn , Anna-Laura Sattelberger , Vahid Shahverdi

Traditional supervised learning aims to learn an unknown mapping by fitting a function to a set of input-output pairs with a fixed dimension. The fitted function is then defined on inputs of the same dimension. However, in many settings,…

Machine Learning · Computer Science 2024-05-01 Eitan Levin , Mateo Díaz

Exploiting symmetries and invariance in data is a powerful, yet not fully exploited, way to achieve better generalisation with more efficiency. In this paper, we introduce two graph network architectures that are equivariant to several…

Machine Learning · Computer Science 2021-06-01 Francesco Farina , Emma Slade

Equivariant neural networks, whose hidden features transform according to representations of a group G acting on the data, exhibit training efficiency and an improved generalisation performance. In this work, we extend group invariant and…

Machine Learning · Computer Science 2024-04-15 Robin Winter , Marco Bertolini , Tuan Le , Frank Noé , Djork-Arné Clevert

Equivariant machine learning is an approach for designing deep learning models that respect the symmetries of the problem, with the aim of reducing model complexity and improving generalization. In this paper, we focus on an extension of…

Machine Learning · Computer Science 2024-12-10 Ya-Wei Eileen Lin , Ronen Talmon , Ron Levie

Equivariant neural networks provide a principled framework for incorporating symmetry into learning architectures and have been extensively analyzed through the lens of their separation power, that is, the ability to distinguish inputs…

Machine Learning · Computer Science 2026-02-04 Marco Pacini , Gabriele Santin , Bruno Lepri , Shubhendu Trivedi

Urban land use inference is a critically important task that aids in city planning and policy-making. Recently, the increased use of sensor and location technologies has facilitated the collection of multi-modal mobility data, offering…

Artificial Intelligence · Computer Science 2026-05-11 Xuehao Zhai , Junqi Jiang , Adam Dejl , Antonio Rago , Fangce Guo , Francesca Toni , Aruna Sivakumar