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Graph Neural Networks (GNNs) are key tools for graph representation learning, demonstrating strong results across diverse prediction tasks. In this paper, we present Convexified Message-Passing Graph Neural Networks (CGNNs), a novel and…

Machine Learning · Computer Science 2026-01-27 Saar Cohen , Noa Agmon , Uri Shaham

Recent advances in deep convolutional neural networks (CNNs) have motivated researchers to adapt CNNs to directly model points in 3D point clouds. Modeling local structure has been proven to be important for the success of convolutional…

Computer Vision and Pattern Recognition · Computer Science 2018-11-20 Shiyi Lan , Ruichi Yu , Gang Yu , Larry S. Davis

Stress prediction in porous materials and structures is challenging due to the high computational cost associated with direct numerical simulations. Convolutional Neural Network (CNN) based architectures have recently been proposed as…

Computational Engineering, Finance, and Science · Computer Science 2023-11-07 Vasilis Krokos , Stéphane P. A. Bordas , Pierre Kerfriden

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

We propose a novel approach for performing convolution of signals on curved surfaces and show its utility in a variety of geometric deep learning applications. Key to our construction is the notion of directional functions defined on the…

Graphics · Computer Science 2018-10-05 Adrien Poulenard , Maks Ovsjanikov

Graph Neural Networks (GNNs) are emerging as powerful tools for nonlinear Model Order Reduction (MOR) of time-dependent parameterized Partial Differential Equations (PDEs). However, existing methodologies struggle to combine geometric…

Machine Learning · Computer Science 2026-01-19 Lorenzo Tomada , Federico Pichi , Gianluigi Rozza

Geometric deep learning has attracted significant attention in recent years, in part due to the availability of exotic data types for which traditional neural network architectures are not well suited. Our goal in this paper is to…

Computer Vision and Pattern Recognition · Computer Science 2020-03-09 Jose J. Bouza , Chun-Hao Yang , David Vaillancourt , Baba C. Vemuri

In the recent years, the domain of fast flow field prediction has been vastly dominated by pixel-based convolutional neural networks. Yet, the recent advent of graph convolutional neural networks (GCNNs) have attracted a considerable…

Fluid Dynamics · Physics 2021-12-22 Junfeng Chen , Elie Hachem , Jonathan Viquerat

We present GeGnn, a learning-based method for computing the approximate geodesic distance between two arbitrary points on discrete polyhedra surfaces with constant time complexity after fast precomputation. Previous relevant methods either…

Computer Vision and Pattern Recognition · Computer Science 2023-10-05 Bo Pang , Zhongtian Zheng , Guoping Wang , Peng-Shuai Wang

Graphs are ubiquitous in social networks and biochemistry, where Graph Neural Networks (GNN) are the state-of-the-art models for prediction. Graphs can be evolving and it is vital to formally model and understand how a trained GNN responds…

Machine Learning · Computer Science 2024-03-12 Yazheng Liu , Xi Zhang , Sihong Xie

Nowadays the development of new functional materials/chemical compounds using machine learning (ML) techniques is a hot topic and includes several crucial steps, one of which is the choice of chemical structure representation. Classical…

Computational Physics · Physics 2020-06-11 Vadim Korolev , Artem Mitrofanov , Alexandru Korotcov , Valery Tkachenko

Graph neural networks (GNNs) demonstrate a robust capability for representation learning on graphs with complex structures, showcasing superior performance in various applications. The majority of existing GNNs employ a graph convolution…

Machine Learning · Computer Science 2025-02-19 Jinlu Wang , Jipeng Guo , Yanfeng Sun , Junbin Gao , Shaofan Wang , Yachao Yang , Baocai Yin

Deep learning techniques have become prominent in modern fault diagnosis for complex processes. In particular, convolutional neural networks (CNNs) have shown an appealing capacity to deal with multivariate time-series data by converting…

Computer Vision and Pattern Recognition · Computer Science 2022-10-04 Saif S. S. Al-Wahaibi , Qiugang Lu

Many scientific and engineering processes produce spatially unstructured data. However, most data-driven models require a feature matrix that enforces both a set number and order of features for each sample. They thus cannot be easily…

Machine Learning · Computer Science 2021-09-30 Francis Ogoke , Kazem Meidani , Amirreza Hashemi , Amir Barati Farimani

Geodesic distances on manifolds have numerous applications in image processing, computer graphics and computer vision. In this work, we introduce an approach called `LGGD' (Learned Generalized Geodesic Distances). This method involves…

Machine Learning · Computer Science 2025-03-10 Amitoz Azad , Yuan Fang

A common approach to define convolutions on meshes is to interpret them as a graph and apply graph convolutional networks (GCNs). Such GCNs utilize isotropic kernels and are therefore insensitive to the relative orientation of vertices and…

Machine Learning · Computer Science 2021-11-22 Pim de Haan , Maurice Weiler , Taco Cohen , Max Welling

In a number of disciplines, the data (e.g., graphs, manifolds) to be analyzed are non-Euclidean in nature. Geometric deep learning corresponds to techniques that generalize deep neural network models to such non-Euclidean spaces. Several…

Convolutional neural networks (CNNs) are being applied to an increasing number of problems and fields due to their superior performance in classification and regression tasks. Since two of the key operations that CNNs implement are…

Machine Learning · Computer Science 2018-02-27 Fernando Gama , Geert Leus , Antonio G. Marques , Alejandro Ribeiro

Graph Convolutional Neural Networks (GCNN) are becoming a preferred model for data processing on irregular domains, yet their analysis and principles of operation are rarely examined due to the black box nature of NNs. To this end, we…

Machine Learning · Computer Science 2021-08-25 Ljubisa Stankovic , Danilo Mandic

Spectral graph convolutional neural networks (GCNNs) have been producing encouraging results in graph classification tasks. However, most spectral GCNNs utilize fixed graphs when aggregating node features, while omitting edge feature…

Computer Vision and Pattern Recognition · Computer Science 2022-10-06 Yang Yi , Xuequan Lu , Shang Gao , Antonio Robles-Kelly , Yuejie Zhang