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Spherical equivariant graph neural networks (EGNNs) provide a principled framework for learning on three-dimensional molecular and biomolecular systems, where predictions must respect the rotational symmetries inherent in physics. These…

Machine Learning · Computer Science 2025-12-17 Sophia Tang

We consider the prediction of the Hamiltonian matrix, which finds use in quantum chemistry and condensed matter physics. Efficiency and equivariance are two important, but conflicting factors. In this work, we propose a SE(3)-equivariant…

Machine Learning · Computer Science 2023-11-09 Haiyang Yu , Zhao Xu , Xiaofeng Qian , Xiaoning Qian , Shuiwang Ji

Graph Hypernetworks (GHN) can predict the parameters of varying unseen CNN architectures with surprisingly good accuracy at a fraction of the cost of iterative optimization. Following these successes, preliminary research has explored the…

Machine Learning · Computer Science 2023-09-26 Stone Yun , Alexander Wong

We introduce a method to train Quantized Neural Networks (QNNs) --- neural networks with extremely low precision (e.g., 1-bit) weights and activations, at run-time. At train-time the quantized weights and activations are used for computing…

Neural and Evolutionary Computing · Computer Science 2016-09-23 Itay Hubara , Matthieu Courbariaux , Daniel Soudry , Ran El-Yaniv , Yoshua Bengio

Efficiency and robustness are increasingly needed for applications on 3D point clouds, with the ubiquitous use of edge devices in scenarios like autonomous driving and robotics, which often demand real-time and reliable responses. The paper…

Computer Vision and Pattern Recognition · Computer Science 2022-09-22 Zhuo Su , Max Welling , Matti Pietikäinen , Li Liu

Quantization of Convolutional Neural Networks (CNNs) is a common approach to ease the computational burden involved in the deployment of CNNs, especially on low-resource edge devices. However, fixed-point arithmetic is not natural to the…

Machine Learning · Computer Science 2024-06-14 Ido Ben-Yair , Gil Ben Shalom , Moshe Eliasof , Eran Treister

Quantization Neural Networks (QNN) have attracted a lot of attention due to their high efficiency. To enhance the quantization accuracy, prior works mainly focus on designing advanced quantization algorithms but still fail to achieve…

Computer Vision and Pattern Recognition · Computer Science 2021-09-29 Mingzhu Shen , Feng Liang , Ruihao Gong , Yuhang Li , Chuming Li , Chen Lin , Fengwei Yu , Junjie Yan , Wanli Ouyang

Graph neural networks (GNNs) have demonstrated strong performance on a wide variety of tasks due to their ability to model non-uniform structured data. Despite their promise, there exists little research exploring methods to make them more…

Machine Learning · Computer Science 2021-03-16 Shyam A. Tailor , Javier Fernandez-Marques , Nicholas D. Lane

SO(3) equivariant graph neural networks have become the dominant paradigm for atomistic foundation models, achieving high accuracy and data efficiency by building rotational symmetry directly into the architecture. Yet the computational…

Machine Learning · Computer Science 2026-05-12 Chen Wang , Siyu Hu , Guangming Tan , Weile Jia

Point cloud registration is a foundational task for 3D alignment and reconstruction applications. While both traditional and learning-based registration approaches have succeeded, leveraging the intrinsic symmetry of point cloud data,…

Computer Vision and Pattern Recognition · Computer Science 2024-10-10 Xueyang Kang , Zhaoliang Luan , Kourosh Khoshelham , Bing Wang

This paper examines the use of Quantized Neural Networks (QNNs) for two resource-constrained scientific applications: automated calibration of semi-conductor quantum bits (qubits) and scientific particle detectors. We evaluate the…

Group equivariant neural networks have been explored in the past few years and are interesting from theoretical and practical standpoints. They leverage concepts from group representation theory, non-commutative harmonic analysis and…

Machine Learning · Computer Science 2020-05-01 Carlos Esteves

Quantum Neural Networks (QNNs) are suggested as one of the quantum algorithms which can be efficiently simulated with a low depth on near-term quantum hardware in the presence of noises. However, their performance highly relies on choosing…

Quantum Physics · Physics 2024-03-14 Su Yeon Chang , Michele Grossi , Bertrand Le Saux , Sofia Vallecorsa

Recent convolutional neural network (CNN) development continues to advance the state-of-the-art model accuracy for various applications. However, the enhanced accuracy comes at the cost of substantial memory bandwidth and storage…

Computer Vision and Pattern Recognition · Computer Science 2021-07-20 Hsu-Hsun Chin , Ren-Song Tsay , Hsin-I Wu

Deep convolutional neural network (CNN) training via iterative optimization has had incredible success in finding optimal parameters. However, modern CNN architectures often contain millions of parameters. Thus, any given model for a single…

Machine Learning · Computer Science 2023-08-21 Stone Yun , Alexander Wong

Most current deep learning models equivariant to $O(n)$ or $SO(n)$ either consider mostly scalar information such as distances and angles or have a very high computational complexity. In this work, we test a few novel message passing graph…

Machine Learning · Computer Science 2024-07-11 Cong Liu , David Ruhe , Patrick Forré

Determining the 3D orientations of an object in an image, known as single-image pose estimation, is a crucial task in 3D vision applications. Existing methods typically learn 3D rotations parametrized in the spatial domain using Euler…

Computer Vision and Pattern Recognition · Computer Science 2024-11-05 Jongmin Lee , Minsu Cho

As edge applications using convolutional neural networks (CNN) models grow, it is becoming necessary to introduce dedicated hardware accelerators in which network parameters and feature-map data are represented with limited precision. In…

Neural and Evolutionary Computing · Computer Science 2018-11-01 Doyun Kim , Han Young Yim , Sanghyuck Ha , Changgwun Lee , Inyup Kang

Convolutional Neural Networks (CNNs) have proven to be a powerful state-of-the-art method for image classification tasks. One drawback however is the high computational complexity and high memory consumption of CNNs which makes them…

Computer Vision and Pattern Recognition · Computer Science 2021-02-04 Rishabh Goyal , Joaquin Vanschoren , Victor van Acht , Stephan Nijssen

Neural networks that incorporate geometric relationships respecting SE(3) group transformations (e.g. rotations and translations) are increasingly important in molecular applications, such as molecular property prediction, protein structure…

Machine Learning · Computer Science 2025-10-21 Jose Siguenza , Bharath Ramsundar