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Geometric deep learning extends deep learning to incorporate information about the geometry and topology data, especially in complex domains like graphs. Despite the popularity of message passing in this field, it has limitations such as…

Machine Learning · Computer Science 2024-03-18 Kelly Maggs , Celia Hacker , Bastian Rieck

Molecular "fingerprints" encoding structural information are the workhorse of cheminformatics and machine learning in drug discovery applications. However, fingerprint representations necessarily emphasize particular aspects of the…

Machine Learning · Statistics 2016-08-26 Steven Kearnes , Kevin McCloskey , Marc Berndl , Vijay Pande , Patrick Riley

Although deep learning (DL) has already become a state-of-the-art technology for various data processing tasks, data security and computational overload problems often arise due to their high data and computational power dependency. To…

Quantum Physics · Physics 2022-04-08 Yunseok Kwak , Won Joon Yun , Jae Pyoung Kim , Hyunhee Cho , Minseok Choi , Soyi Jung , Joongheon Kim

This paper is the first attempt to use geometric deep learning and Sobolev training to incorporate non-Euclidean microstructural data such that anisotropic hyperelastic material machine learning models can be trained in the finite…

Machine Learning · Computer Science 2020-10-12 Nikolaos Vlassis , Ran Ma , WaiChing Sun

We present GDLNN, a new graph machine learning architecture, for graph classification tasks. GDLNN combines a domain-specific programming language, called GDL, with neural networks. The main strength of GDLNN lies in its GDL layer, which…

Machine Learning · Computer Science 2025-10-02 Minseok Jeon , Seunghyun Park

The reconstruction of a high resolution image given a low resolution observation is an ill-posed inverse problem in imaging. Deep learning methods rely on training data to learn an end-to-end mapping from a low-resolution input to a…

Image and Video Processing · Electrical Eng. & Systems 2023-07-19 Iman Marivani , Evaggelia Tsiligianni , Bruno Cornelis , Nikos Deligiannis

Deep metric learning (DML) is a cornerstone of many computer vision applications. It aims at learning a mapping from the input domain to an embedding space, where semantically similar objects are located nearby and dissimilar objects far…

Computer Vision and Pattern Recognition · Computer Science 2021-09-10 Artsiom Sanakoyeu , Pingchuan Ma , Vadim Tschernezki , Björn Ommer

All industries are trying to leverage Artificial Intelligence (AI) based on their existing big data which is available in so called tabular form, where each record is composed of a number of heterogeneous continuous and categorical columns…

Manifold learning methods are an invaluable tool in today's world of increasingly huge datasets. Manifold learning algorithms can discover a much lower-dimensional representation (embedding) of a high-dimensional dataset through non-linear…

Machine Learning · Computer Science 2021-08-24 Andrew Lensen , Bing Xue , Mengjie Zhang

Integrating invariance into data representations is a principled design in intelligent systems and web applications. Representations play a fundamental role, where systems and applications are both built on meaningful representations of…

Artificial Intelligence · Computer Science 2024-12-09 Shuren Qi , Fei Wang , Tieyong Zeng , Fenglei Fan

Point cloud data is ubiquitous in scientific fields. Recently, geometric deep learning (GDL) has been widely applied to solve prediction tasks with such data. However, GDL models are often complicated and hardly interpretable, which poses…

Machine Learning · Computer Science 2023-03-03 Siqi Miao , Yunan Luo , Mia Liu , Pan Li

Due to a huge volume of information in many domains, the need for classification methods is imperious. In spite of many advances, most of the approaches require a large amount of labeled data, which is often not available, due to costs and…

Computer Vision and Pattern Recognition · Computer Science 2023-04-26 Lucas Pascotti Valem , Daniel Carlos Guimarães Pedronette , Longin Jan Latecki

With recent success of deep learning in 2D visual recognition, deep learning-based 3D point cloud analysis has received increasing attention from the community, especially due to the rapid development of autonomous driving technologies.…

Computer Vision and Pattern Recognition · Computer Science 2023-02-13 Cheng Wen , Jianzhi Long , Baosheng Yu , Dacheng Tao

Deep learning models are often considered black boxes due to their complex hierarchical transformations. Identifying suitable architectures is crucial for maximizing predictive performance with limited data. Understanding the geometric…

Machine Learning · Computer Science 2025-03-11 Michael Wienczkowski , Addisu Desta , Paschal Ugochukwu

Spectrum prediction is considered to be a promising technology that enhances spectrum efficiency by assisting dynamic spectrum access (DSA) in cognitive radio networks (CRN). Nonetheless, the highly nonlinear nature of spectrum data across…

Signal Processing · Electrical Eng. & Systems 2024-12-16 Guangliang Pan , David K. Y. Yau , Bo Zhou , Qihui Wu

We study multigrade deep learning (MGDL) as a principled framework for structured error refinement in deep neural networks. While the approximation power of neural networks is now relatively well understood, training very deep architectures…

Machine Learning · Computer Science 2026-04-03 Shijun Zhang , Zuowei Shen , Yuesheng Xu

Graph Representation Learning (GRL) has become essential for modern graph data mining and learning tasks. GRL aims to capture the graph's structural information and exploit it in combination with node and edge attributes to compute…

Machine Learning · Computer Science 2021-09-08 Marinos Poiitis , Pavlos Sermpezis , Athena Vakali

Graph convolutional networks(GCNs) have become the most popular approaches for graph data in these days because of their powerful ability to extract features from graph. GCNs approaches are divided into two categories, spectral-based and…

Machine Learning · Computer Science 2019-07-23 Yi Ma , Jianye Hao , Yaodong Yang , Han Li , Junqi Jin , Guangyong Chen

Convolutional Neural Networks (CNNs) are a class of artificial neural networks whose computational blocks use convolution, together with other linear and non-linear operations, to perform classification or regression. This paper explores…

Computer Vision and Pattern Recognition · Computer Science 2018-10-09 Victor Stamatescu , Mark D. McDonnell

Understanding how deep neural networks learn useful internal representations from data remains a central open problem in the theory of deep learning. We introduce Neural Low-Degree Filtering (Neural LoFi), a stylized limit of gradient-based…

Machine Learning · Computer Science 2026-05-14 Yatin Dandi , Matteo Vilucchio , Luca Arnaboldi , Hugo Tabanelli , Florent Krzakala
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