相关论文: Reducing SO(3) Convolutions to SO(2) for Efficient…

We consider the task of predicting Hamiltonian matrices to accelerate electronic structure calculations, which plays an important role in physics, chemistry, and materials science. Motivated by the inherent relationship between the…

In this paper, we aim at improving the computational efficiency of graph convolutional networks (GCNs) for learning on point clouds. The basic graph convolution that is typically composed of a $K$-nearest neighbor (KNN) search and a…

Equivariant Graph Neural Networks (GNNs) that incorporate E(3) symmetry have achieved significant success in various scientific applications. As one of the most successful models, EGNN leverages a simple scalarization technique to perform…

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…

Triangular meshes are widely used to represent three-dimensional objects. As a result, many recent works have address the need for geometric deep learning on 3D mesh. However, we observe that the complexities in many of these architectures…

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…

We propose a framework for rotation and translation covariant deep learning using $SE(2)$ group convolutions. The group product of the special Euclidean motion group $SE(2)$ describes how a concatenation of two roto-translations results in…

With the advent of group equivariant convolutions in deep networks literature, spherical CNNs with $\mathsf{SO}(3)$-equivariant layers have been developed to cope with data that are samples of signals on the sphere $S^2$. One can implicitly…

We introduce the SE(3)-Transformer, a variant of the self-attention module for 3D point clouds and graphs, which is equivariant under continuous 3D roto-translations. Equivariance is important to ensure stable and predictable performance in…

3D Convolutional Neural Networks are sensitive to transformations applied to their input. This is a problem because a voxelized version of a 3D object, and its rotated clone, will look unrelated to each other after passing through to the…

No existing spherical convolutional neural network (CNN) framework is both computationally scalable and rotationally equivariant. Continuous approaches capture rotational equivariance but are often prohibitively computationally demanding.…

A symmetry on rigid motion is one of the salient factors in efficient learning of 3D point cloud problems. Group convolution has been a representative method to extract equivariant features, but its realizations have struggled to retain…

The convolutional layers of standard convolutional neural networks (CNNs) are equivariant to translation. However, the convolution and fully-connected layers are not equivariant or invariant to other affine geometric transformations.…

Graph Convolutional Networks (GCNs) have been widely studied. The core of GCNs is the definition of convolution operators on graphs. However, existing Graph Convolution (GC) operators are mainly defined on adjacency matrix and node features…

We present the Topology Transformation Equivariant Representation learning, a general paradigm of self-supervised learning for node representations of graph data to enable the wide applicability of Graph Convolutional Neural Networks…

We present a convolutional network that is equivariant to rigid body motions. The model uses scalar-, vector-, and tensor fields over 3D Euclidean space to represent data, and equivariant convolutions to map between such representations.…

We present Roto-Translation Equivariant Spherical Deconvolution (RT-ESD), an $E(3)\times SO(3)$ equivariant framework for sparse deconvolution of volumes where each voxel contains a spherical signal. Such 6D data naturally arises in…

Despite their widespread success in various domains, Transformer networks have yet to perform well across datasets in the domain of 3D atomistic graphs such as molecules even when 3D-related inductive biases like translational invariance…

Convolutional Neural Networks (CNNs) traditionally encode translation equivariance via the convolution operation. Generalization to other transformations has recently received attraction to encode the knowledge of the data geometry in group…

Despite their simple intuition, convolutions are more tedious to analyze than dense layers, which complicates the transfer of theoretical and algorithmic ideas to convolutions. We simplify convolutions by viewing them as tensor networks…