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Designing machine learning architectures for processing neural networks in their raw weight matrix form is a newly introduced research direction. Unfortunately, the unique symmetry structure of deep weight spaces makes this design very…

Machine Learning · Computer Science 2023-06-02 Aviv Navon , Aviv Shamsian , Idan Achituve , Ethan Fetaya , Gal Chechik , Haggai Maron

Convolutional networks are successful, but they have recently been outperformed by new neural networks that are equivariant under rotations and translations. These new networks work better because they do not struggle with learning each…

Computer Vision and Pattern Recognition · Computer Science 2021-02-16 Philip Müller , Vladimir Golkov , Valentina Tomassini , Daniel Cremers

The recent introduction of Graph Neural Networks (GNNs) and their growing popularity in the past few years has enabled the application of deep learning algorithms to non-Euclidean, graph-structured data. GNNs have achieved state-of-the-art…

Machine Learning · Computer Science 2020-10-27 Tuomas P. Oikarinen , Daniel C. Hannah , Sohrob Kazerounian

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

Many learning tasks, including learning potential energy surfaces from ab initio calculations, involve global spatial symmetries and permutational symmetry between atoms or general particles. Equivariant graph neural networks are a standard…

Machine Learning · Computer Science 2024-05-24 Zimu Li , Zihan Pengmei , Han Zheng , Erik Thiede , Junyu Liu , Risi Kondor

Metasurfaces have become a promising means for manipulating optical wavefronts in flat and high-performance optical devices. Conventional metasurface device design relies on trial-and-error methods to obtain target electromagnetic (EM)…

Graph neural networks that model 3D data, such as point clouds or atoms, are typically desired to be $SO(3)$ equivariant, i.e., equivariant to 3D rotations. Unfortunately equivariant convolutions, which are a fundamental operation for…

Machine Learning · Computer Science 2023-06-16 Saro Passaro , C. Lawrence Zitnick

We present a morphological-symmetry-equivariant heterogeneous graph neural network, namely MS-HGNN, for robotic dynamics learning, that integrates robotic kinematic structures and morphological symmetries into a single graph network. These…

Robotics · Computer Science 2026-03-11 Fengze Xie , Sizhe Wei , Yue Song , Yisong Yue , Lu Gan

Neural networks that process the parameters of other neural networks find applications in domains as diverse as classifying implicit neural representations, generating neural network weights, and predicting generalization errors. However,…

Deep learning has achieved a remarkable performance breakthrough in several fields, most notably in speech recognition, natural language processing, and computer vision. In particular, convolutional neural network (CNN) architectures…

Computer Vision and Pattern Recognition · Computer Science 2016-12-08 Federico Monti , Davide Boscaini , Jonathan Masci , Emanuele Rodolà , Jan Svoboda , Michael M. Bronstein

Networks are a powerful tool to model complex systems, and the definition of many Graph Neural Networks (GNN), Deep Learning algorithms that can handle networks, has opened a new way to approach many real-world problems that would be hardly…

Machine Learning · Computer Science 2021-09-28 Marco Grassia , Manlio De Domenico , Giuseppe Mangioni

Heterogeneous graph neural networks (HGNNs) were proposed for representation learning on structural data with multiple types of nodes and edges. To deal with the performance degradation issue when HGNNs become deep, researchers combine…

Machine Learning · Computer Science 2023-11-27 Xinyu Fu , Irwin King

In recent years, neural implicit representations have made remarkable progress in modeling of 3D shapes with arbitrary topology. In this work, we address two key limitations of such representations, in failing to capture local 3D geometric…

Computer Vision and Pattern Recognition · Computer Science 2022-04-01 Yunlu Chen , Basura Fernando , Hakan Bilen , Matthias Nießner , Efstratios Gavves

Invariant and equivariant networks have been successfully used for learning images, sets, point clouds, and graphs. A basic challenge in developing such networks is finding the maximal collection of invariant and equivariant linear layers.…

Machine Learning · Computer Science 2019-05-01 Haggai Maron , Heli Ben-Hamu , Nadav Shamir , Yaron Lipman

State-of-the-art deep learning systems often require large amounts of data and computation. For this reason, leveraging known or unknown structure of the data is paramount. Convolutional neural networks (CNNs) are successful examples of…

Computer Vision and Pattern Recognition · Computer Science 2020-12-07 Carlos Esteves

Graph neural networks (GNNs) have become a core paradigm for learning on relational data. In materials science, equivariant GNNs (EGNNs) have emerged as a compelling backbone for crystalline-structure prediction, owing to their ability to…

Machine Learning · Computer Science 2025-10-08 Yang Cao , Zhao Song , Jiahao Zhang , Jiale Zhao

Graph Neural Networks (GNNs) play a fundamental role in many deep learning problems, in particular in cheminformatics. However, typical GNNs cannot capture the concept of chirality, which means they do not distinguish between the 3D graph…

Machine Learning · Computer Science 2023-07-11 Piotr Gaiński , Michał Koziarski , Jacek Tabor , Marek Śmieja

The usage of 3D vision algorithms, such as shape reconstruction, remains limited because they require inputs to be at a fixed canonical rotation. Recently, a simple equivariant network, Vector Neuron (VN) has been proposed that can be…

Computer Vision and Pattern Recognition · Computer Science 2024-05-09 Dongwon Son , Jaehyung Kim , Sanghyeon Son , Beomjoon Kim

In the past few years, convolutional neural nets (CNN) have shown incredible promise for learning visual representations. In this paper, we use CNNs for the task of predicting surface normals from a single image. But what is the right…

Computer Vision and Pattern Recognition · Computer Science 2014-11-19 Xiaolong Wang , David F. Fouhey , Abhinav Gupta

Geometric graph neural networks (GNNs) that respect E(3) symmetries have achieved strong performance on small molecule modeling, but they face scalability and expressiveness challenges when applied to large biomolecules such as RNA and…

Biomolecules · Quantitative Biology 2025-06-26 Junjie Xu , Jiahao Zhang , Mangal Prakash , Xiang Zhang , Suhang Wang
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