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Graph Neural Networks (GNNs) have gained popularity in various learning tasks, with successful applications in fields like molecular biology, transportation systems, and electrical grids. These fields naturally use graph data, benefiting…

Machine Learning · Computer Science 2024-09-23 Caio F. Deberaldini Netto , Zhiyang Wang , Luana Ruiz

Learning and reasoning about 3D molecular structures with varying size is an emerging and important challenge in machine learning and especially in drug discovery. Equivariant Graph Neural Networks (GNNs) can simultaneously leverage the…

Machine Learning · Computer Science 2022-03-03 Tuan Le , Frank Noé , Djork-Arné Clevert

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

With the rise of big data analytics, multi-layer neural networks have surfaced as one of the most powerful machine learning methods. However, their theoretical mathematical properties are still not fully understood. Training a neural…

Machine Learning · Computer Science 2021-01-01 Victor Luo , Yazhen Wang , Glenn Fung

Spatially embedded networks (SENs) represent a special type of complex graph, whose topologies are constrained by the networks' embedded spatial environments. The graph representation of such networks is thereby influenced by the embedded…

Machine Learning · Computer Science 2025-12-04 Xudong Fan , Jürgen Hackl

The ubiquity of fluids in the physical world explains the need to accurately simulate their dynamics for many scientific and engineering applications. Traditionally, well established but resource intensive CFD solvers provide such…

Machine Learning · Computer Science 2021-12-21 Lucas Meyer , Louen Pottier , Alejandro Ribes , Bruno Raffin

Feature descriptors play a crucial role in a wide range of geometry analysis and processing applications, including shape correspondence, retrieval, and segmentation. In this paper, we introduce Geodesic Convolutional Neural Networks…

Computer Vision and Pattern Recognition · Computer Science 2018-06-11 Jonathan Masci , Davide Boscaini , Michael M. Bronstein , Pierre Vandergheynst

Graph neural networks (GNNs), which learn the representation of a node by aggregating its neighbors, have become an effective computational tool in downstream applications. Over-smoothing is one of the key issues which limit the performance…

Machine Learning · Computer Science 2020-06-15 Kaixiong Zhou , Xiao Huang , Yuening Li , Daochen Zha , Rui Chen , Xia Hu

Geometric data acquired from real-world scenes, e.g., 2D depth images, 3D point clouds, and 4D dynamic point clouds, have found a wide range of applications including immersive telepresence, autonomous driving, surveillance, etc. Due to…

Computer Vision and Pattern Recognition · Computer Science 2021-09-07 Wei Hu , Jiahao Pang , Xianming Liu , Dong Tian , Chia-Wen Lin , Anthony Vetro

Geometric deep learning (GDL) models have demonstrated a great potential for the analysis of non-Euclidian data. They are developed to incorporate the geometric and topological information of non-Euclidian data into the end-to-end deep…

Machine Learning · Computer Science 2023-06-26 Cong Shen , Xiang Liu , Jiawei Luo , Kelin Xia

Graph convolutional networks (GCNs) are powerful frameworks for learning embeddings of graph-structured data. GCNs are traditionally studied through the lens of Euclidean geometry. Recent works find that non-Euclidean Riemannian manifolds…

Machine Learning · Computer Science 2022-11-10 Bo Xiong , Shichao Zhu , Nico Potyka , Shirui Pan , Chuan Zhou , Steffen Staab

Graph neural networks (GNNs) are fundamental tools in graph machine learning. The performance of GNNs relies crucially on the availability of informative node features, which can be limited or absent in real-life datasets and applications.…

Machine Learning · Computer Science 2025-12-08 Ziyao Cui , Edric Tam

Graph Convolutional Neural Networks (GCNNs) are generalizations of CNNs to graph-structured data, in which convolution is guided by the graph topology. In many cases where graphs are unavailable, existing methods manually construct graphs…

Machine Learning · Computer Science 2019-09-17 Xiang Gao , Wei Hu , Zongming Guo

3D Geometric Graph Neural Networks (GNNs) have emerged as transformative tools for modeling molecular data. Despite their predictive power, these models often suffer from limited interpretability, raising concerns for scientific…

Machine Learning · Computer Science 2025-05-06 Jingxiang Qu , Wenhan Gao , Jiaxing Zhang , Xufeng Liu , Hua Wei , Haibin Ling , Yi Liu

Generative models for 3D geometric data arise in many important applications in 3D computer vision and graphics. In this paper, we focus on 3D deformable shapes that share a common topological structure, such as human faces and bodies.…

Computer Vision and Pattern Recognition · Computer Science 2023-09-26 Giorgos Bouritsas , Sergiy Bokhnyak , Stylianos Ploumpis , Michael Bronstein , Stefanos Zafeiriou

In recent years, deep neural networks have been extensively employed in perceptual systems to learn representations endowed with invariances, aiming to emulate the invariance mechanisms observed in the human brain. However, studies in the…

Machine Learning · Computer Science 2025-10-21 Wei Xu , Xiaoyi Jiang , Lixiang Xu , Dechao Tang

Graph neural networks (GNNs) provide a powerful and scalable solution for modeling continuous spatial data. However, they often rely on Euclidean distances to construct the input graphs. This assumption can be improbable in many real-world…

Machine Learning · Computer Science 2023-02-20 Konstantin Klemmer , Nathan Safir , Daniel B. Neill

The simulation of complex physical systems using a discretized mesh is a cornerstone of applied mechanics, but traditional numerical solvers are often computationally prohibitive for many-query tasks. While Graph Neural Networks (GNNs) have…

Machine Learning · Computer Science 2025-09-24 Kangzheng Liu , Leixin Ma

Geometric deep learning enables the encoding of physical symmetries in modeling 3D objects. Despite rapid progress in encoding 3D symmetries into Graph Neural Networks (GNNs), a comprehensive evaluation of the expressiveness of these…

Machine Learning · Computer Science 2023-04-12 Weitao Du , Yuanqi Du , Limei Wang , Dieqiao Feng , Guifeng Wang , Shuiwang Ji , Carla Gomes , Zhi-Ming Ma

3D shape models are naturally parameterized using vertices and faces, \ie, composed of polygons forming a surface. However, current 3D learning paradigms for predictive and generative tasks using convolutional neural networks focus on a…

Computer Vision and Pattern Recognition · Computer Science 2017-03-14 Ayan Sinha , Asim Unmesh , Qixing Huang , Karthik Ramani
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