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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

Machine learning has revolutionized the high-dimensional representations for molecular properties such as potential energy. However, there are scarce machine learning models targeting tensorial properties, which are rotationally covariant.…

Chemical Physics · Physics 2020-08-11 Yaolong Zhang , Sheng Ye , Jinxiao Zhang , Ce Hu , Jun Jiang , Bin Jiang

We introduce a general method for achieving robust group-invariance in group-equivariant convolutional neural networks ($G$-CNNs), which we call the $G$-triple-correlation ($G$-TC) layer. The approach leverages the theory of the…

Machine Learning · Computer Science 2024-01-29 Sophia Sanborn , Nina Miolane

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

Capsule networks were proposed as an alternative approach to Convolutional Neural Networks (CNNs) for learning object-centric representations, which can be leveraged for improved generalization and sample complexity. Unlike CNNs, capsule…

Computer Vision and Pattern Recognition · Computer Science 2022-06-07 Fabio De Sousa Ribeiro , Kevin Duarte , Miles Everett , Georgios Leontidis , Mubarak Shah

The ability to store and manipulate information is a hallmark of computational systems. Whereas computers are carefully engineered to represent and perform mathematical operations on structured data, neurobiological systems perform…

Disordered Systems and Neural Networks · Physics 2020-05-05 Jason Z. Kim , Zhixin Lu , Erfan Nozari , George J. Pappas , Danielle S. Bassett

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

Graph spectra are an important class of structural features on graphs that have shown promising results in enhancing Graph Neural Networks (GNNs). Despite their widespread practical use, the theoretical understanding of the power of…

Machine Learning · Computer Science 2025-03-04 Jingchu Gai , Yiheng Du , Bohang Zhang , Haggai Maron , Liwei Wang

We propose a learning paradigm for the numerical approximation of differential invariants of planar curves. Deep neural-networks' (DNNs) universal approximation properties are utilized to estimate geometric measures. The proposed framework…

Computer Vision and Pattern Recognition · Computer Science 2023-03-08 Roy Velich , Ron Kimmel

Perceptual learning enables humans to recognize and represent stimuli invariant to various transformations and build a consistent representation of the self and physical world. Such representations preserve the invariant physical relations…

Neural and Evolutionary Computing · Computer Science 2020-07-02 Du Xiaorui , Yavuzhan Erdem , Immanuel Schweizer , Cristian Axenie

The paper discusses the limitations of deep learning models in identifying and utilizing features that remain invariant under a bijective transformation on the data entries, which we refer to as combinatorial patterns. We argue that the…

Machine Learning · Computer Science 2023-03-30 Karen Sargsyan

We prove an impossibility result, which in the context of function learning says the following: under certain conditions, it is impossible to simultaneously learn symmetries and functions equivariant under them using an ansatz consisting of…

Machine Learning · Statistics 2022-10-19 Vasco Portilheiro

We explain equivariant neural networks, a notion underlying breakthroughs in machine learning from deep convolutional neural networks for computer vision to AlphaFold 2 for protein structure prediction, without assuming knowledge of…

Machine Learning · Computer Science 2022-11-18 Lek-Heng Lim , Bradley J. Nelson

Many learning problems involve symmetries, and while invariance can be built into neural architectures, it can also emerge implicitly when training on group-structured data. We study this phenomenon in classical Hopfield networks and show…

Machine Learning · Computer Science 2026-01-21 Michael Murray , Tenzin Chan , Kedar Karhadker , Christopher J. Hillar

This paper introduces a novel deep learning based method, named bridge neural network (BNN) to dig the potential relationship between two given data sources task by task. The proposed approach employs two convolutional neural networks that…

Machine Learning · Computer Science 2019-06-27 Yao Xu , Xueshuang Xiang , Meiyu Huang

Bayesian neural networks (BNNs) allow rigorous uncertainty quantification in deep learning, but often come at a prohibitive computational cost. We propose three different innovative architectures of partial trace-class Bayesian neural…

Machine Learning · Statistics 2025-11-04 Arran Carter , Torben Sell

Bayesian neural networks (BNNs) are a principled approach to modeling predictive uncertainties in deep learning, which are important in safety-critical applications. Since exact Bayesian inference over the weights in a BNN is intractable,…

Machine Learning · Statistics 2024-01-02 Tim Z. Xiao , Weiyang Liu , Robert Bamler

Change detection is one of the central problems in earth observation and was extensively investigated over recent decades. In this paper, we propose a novel recurrent convolutional neural network (ReCNN) architecture, which is trained to…

Computer Vision and Pattern Recognition · Computer Science 2019-03-27 Lichao Mou , Lorenzo Bruzzone , Xiao Xiang Zhu

Spurious correlation caused by subgroup underrepresentation has received increasing attention as a source of bias that can be perpetuated by deep neural networks (DNNs). Distributionally robust optimization has shown success in addressing…

Computer Vision and Pattern Recognition · Computer Science 2023-08-15 Nilesh Kumar , Ruby Shrestha , Zhiyuan Li , Linwei Wang

Convolutional Neural Networks define an exceptionally powerful class of models, but are still limited by the lack of ability to be spatially invariant to the input data in a computationally and parameter efficient manner. In this work we…

Computer Vision and Pattern Recognition · Computer Science 2016-02-05 Max Jaderberg , Karen Simonyan , Andrew Zisserman , Koray Kavukcuoglu