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Deep convolutional neural networks (ConvNets) of 3-dimensional kernels allow joint modeling of spatiotemporal features. These networks have improved performance of video and volumetric image analysis, but have been limited in size due to…
Spherical convolutional networks have been introduced recently as tools to learn powerful feature representations of 3D shapes. Spherical CNNs are equivariant to 3D rotations making them ideally suited to applications where 3D data may be…
For many years, it has been shown how much exploiting equivariances can be beneficial when solving image analysis tasks. For example, the superiority of convolutional neural networks (CNNs) compared to dense networks mainly comes from an…
Graph convolutional neural networks (Graph-CNNs) extend traditional CNNs to handle data that is supported on a graph. Major challenges when working with data on graphs are that the support set (the vertices of the graph) do not typically…
Designing effective graph neural networks (GNNs) with message passing has two fundamental challenges, i.e., determining optimal message-passing pathways and designing local aggregators. Previous methods of designing optimal pathways are…
Learning 3D point sets with rotational invariance is an important and challenging problem in machine learning. Through rotational invariant architectures, 3D point cloud neural networks are relieved from requiring a canonical global pose…
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…
Graphs are one of the most important data structures for representing pairwise relations between objects. Specifically, a graph embedded in a Euclidean space is essential to solving real problems, such as physical simulations. A crucial…
Equivariant Graph Neural Networks (GNNs) have significantly advanced the modeling of 3D molecular structure by leveraging group representations. However, their message passing, heavily relying on Clebsch-Gordan tensor product convolutions,…
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…
Subsampling is used in convolutional neural networks (CNNs) in the form of pooling or strided convolutions, to reduce the spatial dimensions of feature maps and to allow the receptive fields to grow exponentially with depth. However, it is…
We propose a method for 3D shape reconstruction from unoriented point clouds. Our method consists of a novel SE(3)-equivariant coordinate-based network (TF-ONet), that parametrizes the occupancy field of the shape and respects the inherent…
We analyze the role of rotational equivariance in convolutional neural networks (CNNs) applied to spherical images. We compare the performance of the group equivariant networks known as S2CNNs and standard non-equivariant CNNs trained with…
Graph neural networks (GNNs) have received tremendous attention due to their superiority in learning node representations. These models rely on message passing and feature transformation functions to encode the structural and feature…
Filter-decomposition-based group equivariant convolutional neural networks (CNNs) have shown promising stability and data efficiency for 3D image feature extraction. However, these networks, which rely on parameter sharing and discrete…
In this paper, we introduce group convolutional neural networks (GCNNs) equivariant to color variation. GCNNs have been designed for a variety of geometric transformations from 2D and 3D rotation groups, to semi-groups such as scale.…
$E(3)$-equivariant neural networks have proven to be effective in a wide range of 3D modeling tasks. A fundamental operation of such networks is the tensor product, which allows interaction between different feature types. Because this…
Three dimensional convolutional neural networks (3DCNNs) have been applied in many tasks, e.g., video and 3D point cloud recognition. However, due to the higher dimension of convolutional kernels, the space complexity of 3DCNNs is generally…
Learning and reasoning about 3D molecular structures with varying size is an emerging and important challenge in machine learning and especially in drug discovery. Equivariant Graph Neural Networks (GNNs) can simultaneously leverage the…
Modeling the complex three-dimensional (3D) dynamics of relational systems is an important problem in the natural sciences, with applications ranging from molecular simulations to particle mechanics. Machine learning methods have achieved…