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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

Understanding and leveraging the 3D structures of proteins is central to a variety of biological and drug discovery tasks. While deep learning has been applied successfully for structure-based protein function prediction tasks, current…

Machine Learning · Computer Science 2024-04-03 Rong Han , Wenbing Huang , Lingxiao Luo , Xinyan Han , Jiaming Shen , Zhiqiang Zhang , Jun Zhou , Ting Chen

We approach the well-studied problem of supervised group invariant and equivariant machine learning from the point of view of geometric topology. We propose a novel approach using a pre-processing step, which involves projecting the input…

Machine Learning · Computer Science 2022-02-07 Benjamin Aslan , Daniel Platt , David Sheard

Molecular modeling, a central topic in quantum mechanics, aims to accurately calculate the properties and simulate the behaviors of molecular systems. The molecular model is governed by physical laws, which impose geometric constraints such…

Machine Learning · Computer Science 2024-06-25 Tianlang Chen , Shengjie Luo , Di He , Shuxin Zheng , Tie-Yan Liu , Liwei Wang

The remote sensing image change detection task is an essential method for large-scale monitoring. We propose HSANet, a network that uses hierarchical convolution to extract multi-scale features. It incorporates hybrid self-attention and…

Computer Vision and Pattern Recognition · Computer Science 2025-04-22 Chengxi Han , Xiaoyu Su , Zhiqiang Wei , Meiqi Hu , Yichu Xu

Machine learning is among the most widely anticipated use cases for near-term quantum computers, however there remain significant theoretical and implementation challenges impeding its scale up. In particular, there is an emerging body of…

Quantum Physics · Physics 2023-09-20 Maxwell T. West , Martin Sevior , Muhammad Usman

In autonomous driving, deep learning enabled motion prediction is a popular topic. A critical gap in traditional motion prediction methodologies lies in ensuring equivariance under Euclidean geometric transformations and maintaining…

Robotics · Computer Science 2025-08-05 Yuping Wang , Jier Chen

While transformers have been at the core of most recent advancements in sequence generative models, their computational cost remains quadratic in sequence length. Several subquadratic architectures have been proposed to address this…

Machine Learning · Computer Science 2025-11-12 Costin-Andrei Oncescu , Sanket Purandare , Stratos Idreos , Sham Kakade

Capturing long-range dependencies in feature representations is crucial for many visual recognition tasks. Despite recent successes of deep convolutional networks, it remains challenging to model non-local context relations between visual…

Computer Vision and Pattern Recognition · Computer Science 2019-05-29 Songyang Zhang , Shipeng Yan , Xuming He

Rotation-invariance is a desired property of machine-learning models for medical image analysis and in particular for computational pathology applications. We propose a framework to encode the geometric structure of the special Euclidean…

Computer Vision and Pattern Recognition · Computer Science 2020-02-21 Maxime W. Lafarge , Erik J. Bekkers , Josien P. W. Pluim , Remco Duits , Mitko Veta

Accurate channel estimation is critical for high-performance Orthogonal Frequency-Division Multiplexing systems such as 5G New Radio, particularly under low signal-to-noise ratio and stringent latency constraints. This letter presents…

Signal Processing · Electrical Eng. & Systems 2026-04-17 Miguel Camelo Botero , Esra Aycan Beyazit , Nina Slamnik-Kriještorac , Johann M. Marquez-Barja

Machine learning interatomic potentials trained on first-principles reference data are becoming valuable tools for computational physics, biology, and chemistry. Equivariant message-passing neural networks, including transformers, achieve…

The principle of translation equivariance (if an input image is translated an output image should be translated by the same amount), led to the development of convolutional neural networks that revolutionized machine vision. Other…

Computer Vision and Pattern Recognition · Computer Science 2025-05-29 Zachary Schlamowitz , Andrew Bennecke , Daniel J. Tward

$G$-equivariant convolutional neural networks (GCNNs) is a geometric deep learning model for data defined on a homogeneous $G$-space $\mathcal{M}$. GCNNs are designed to respect the global symmetry in $\mathcal{M}$, thereby facilitating…

Machine Learning · Computer Science 2022-07-27 Jimmy Aronsson

We present a new latent model of natural images that can be learned on large-scale datasets. The learning process provides a latent embedding for every image in the training dataset, as well as a deep convolutional network that maps the…

Computer Vision and Pattern Recognition · Computer Science 2018-11-06 ShahRukh Athar , Evgeny Burnaev , Victor Lempitsky

Polygon representation learning is essential for diverse applications, encompassing tasks such as shape coding, building pattern classification, and geographic question answering. While recent years have seen considerable advancements in…

Computer Vision and Pattern Recognition · Computer Science 2025-04-10 Dazhou Yu , Yuntong Hu , Yun Li , Liang Zhao

Group-convolutional neural networks (GCNNs) are among the most important methods for introducing symmetry as an inductive bias in deep learning: In each linear layer, GCNNs sample a transformation group $G$ densely and correlate data and…

Computer Vision and Pattern Recognition · Computer Science 2026-05-18 Daniel Franzen , Jean Philip Filling , Michael Wand

Non-local operations are usually used to capture long-range dependencies via aggregating global context to each position recently. However, most of the methods cannot preserve object shapes since they only focus on feature similarity but…

Computer Vision and Pattern Recognition · Computer Science 2020-12-18 Pengju Zhang , Yihong Wu , Jiagang Zhu

We present a novel approach to neural response prediction that incorporates higher-order operations directly within convolutional neural networks (CNNs). Our model extends traditional 3D CNNs by embedding higher-order operations within the…

Computer Vision and Pattern Recognition · Computer Science 2025-05-13 Simone Azeglio , Victor Calbiague Garcia , Guilhem Glaziou , Peter Neri , Olivier Marre , Ulisse Ferrari

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