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Deep neural networks have revolutionized many machine learning tasks in power systems, ranging from pattern recognition to signal processing. The data in these tasks is typically represented in Euclidean domains. Nevertheless, there is an…

Machine Learning · Computer Science 2021-06-15 Wenlong Liao , Birgitte Bak-Jensen , Jayakrishnan Radhakrishna Pillai , Yuelong Wang , Yusen Wang

Graph Neural Networks (GNNs) are often used for tasks involving the 3D geometry of a given graph, such as molecular dynamics simulation. While incorporating Euclidean distance into Message Passing Neural Networks (referred to as Vanilla…

Machine Learning · Computer Science 2024-10-22 Zian Li , Xiyuan Wang , Yinan Huang , Muhan Zhang

Euclidean geometry is among the earliest forms of mathematical thinking. While the geometric primitives underlying its constructions, such as perfect lines and circles, do not often occur in the natural world, humans rarely struggle to…

Computer Vision and Pattern Recognition · Computer Science 2022-12-01 Joy Hsu , Jiajun Wu , Noah D. Goodman

Hyperbolic spaces have recently gained momentum in the context of machine learning due to their high capacity and tree-likeliness properties. However, the representational power of hyperbolic geometry is not yet on par with Euclidean…

Machine Learning · Computer Science 2018-06-29 Octavian-Eugen Ganea , Gary Bécigneul , Thomas Hofmann

Geometric deep learning (GDL), which is based on neural network architectures that incorporate and process symmetry information, has emerged as a recent paradigm in artificial intelligence. GDL bears particular promise in molecular modeling…

Chemical Physics · Physics 2022-01-03 Kenneth Atz , Francesca Grisoni , Gisbert Schneider

Graph-structured data consisting of objects (i.e., nodes) and relationships among objects (i.e., edges) are ubiquitous. Graph-level learning is a matter of studying a collection of graphs instead of a single graph. Traditional graph-level…

Machine Learning · Computer Science 2022-06-01 Ge Zhang , Jia Wu , Jian Yang , Shan Xue , Wenbin Hu , Chuan Zhou , Hao Peng , Quan Z. Sheng , Charu Aggarwal

Geometric Deep Learning techniques have become a transformative force in the field of Computer-Aided Design (CAD), and have the potential to revolutionize how designers and engineers approach and enhance the design process. By harnessing…

Computational Geometry · Computer Science 2025-07-08 Negar Heidari , Alexandros Iosifidis

The geometric structure of an optimization landscape is argued to be fundamentally important to support the success of deep neural network learning. A direct computation of the landscape beyond two layers is hard. Therefore, to capture the…

Machine Learning · Computer Science 2021-10-04 Wenxuan Zou , Haiping Huang

We introduce Geometric Neural Operators (GNPs) for accounting for geometric contributions in data-driven deep learning of operators. We show how GNPs can be used (i) to estimate geometric properties, such as the metric and curvatures, (ii)…

Machine Learning · Computer Science 2024-04-18 Blaine Quackenbush , Paul J. Atzberger

Data clustering, the task of grouping observations according to their similarity, is a key component of unsupervised learning -- with real world applications in diverse fields such as biology, medicine, and social science. Often in these…

Machine Learning · Computer Science 2023-09-20 Anne Sophie Riis Damstrup , Sofie Tosti Madsen , Michele Coscia

Deep learning's success has been widely recognized in a variety of machine learning tasks, including image classification, audio recognition, and natural language processing. As an extension of deep learning beyond these domains, graph…

Machine Learning · Computer Science 2021-07-22 Zhiqian Chen , Fanglan Chen , Lei Zhang , Taoran Ji , Kaiqun Fu , Liang Zhao , Feng Chen , Lingfei Wu , Charu Aggarwal , Chang-Tien Lu

Functional magnetic resonance imaging (fMRI) reveals complex brain functional networks with hierarchical topologies crucial for cognitive processing. Standard Euclidean Graph Neural Networks (GNNs) often struggle to represent these…

Computer Vision and Pattern Recognition · Computer Science 2026-03-03 Junhao Jia , Yunyou Liu , Cheng Yang , Yifei Sun , Feiwei Qin , Changmiao Wang , Yong Peng

Geometric deep learning has recently achieved great success in non-Euclidean domains, and learning on 3D structures of large biomolecules is emerging as a distinct research area. However, its efficacy is largely constrained due to the…

Machine Learning · Computer Science 2023-10-31 Fang Wu , Lirong Wu , Dragomir Radev , Jinbo Xu , Stan Z. Li

Geometric deep learning has gained much attention in recent years due to more available data acquired from non-Euclidean domains. Some examples include point clouds for 3D models and wireless sensor networks in communications. Graphs are…

Signal Processing · Electrical Eng. & Systems 2022-10-04 Zhiyang Wang , Luana Ruiz , Alejandro Ribeiro

The scattering transform is a multilayered wavelet-based deep learning architecture that acts as a model of convolutional neural networks. Recently, several works have introduced generalizations of the scattering transform for non-Euclidean…

Machine Learning · Statistics 2023-06-30 Michael Perlmutter , Alexander Tong , Feng Gao , Guy Wolf , Matthew Hirn

Geometry is a ubiquitous tool in computer graphics, design, and engineering. However, the lack of large shape datasets limits the application of state-of-the-art supervised learning methods and motivates the exploration of alternative…

Machine Learning · Computer Science 2025-07-21 Arturs Berzins , Andreas Radler , Eric Volkmann , Sebastian Sanokowski , Sepp Hochreiter , Johannes Brandstetter

Over the past few years, we have seen fundamental breakthroughs in core problems in machine learning, largely driven by advances in deep neural networks. At the same time, the amount of data collected in a wide array of scientific domains…

Machine Learning · Computer Science 2020-03-27 Maithra Raghu , Eric Schmidt

In this position paper, we promote the study of function spaces parameterized by machine learning models through the lens of algebraic geometry. To this end, we focus on algebraic models, such as neural networks with polynomial activations,…

Machine Learning · Computer Science 2025-06-03 Giovanni Luca Marchetti , Vahid Shahverdi , Stefano Mereta , Matthew Trager , Kathlén Kohn

Interest has been rising lately towards methods representing data in non-Euclidean spaces, e.g. hyperbolic or spherical, that provide specific inductive biases useful for certain real-world data properties, e.g. scale-free, hierarchical or…

Machine Learning · Computer Science 2020-05-20 Gregor Bachmann , Gary Bécigneul , Octavian-Eugen Ganea

Despite significant advances in the field of deep learning in ap-plications to various areas, an explanation of the learning pro-cess of neural network models remains an important open ques-tion. The purpose of this paper is a comprehensive…

Machine Learning · Computer Science 2023-06-07 German Magai