Related papers: Frame Averaging for Invariant and Equivariant Netw…

Equivariant graph neural networks force fields (EGraFFs) have shown great promise in modelling complex interactions in atomic systems by exploiting the graphs' inherent symmetries. Recent works have led to a surge in the development of…

The universal approximation theorem establishes that neural networks can approximate any continuous function on a compact set. Later works in approximation theory provide quantitative approximation rates for ReLU networks on the class of…

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,…

We present group equivariant capsule networks, a framework to introduce guaranteed equivariance and invariance properties to the capsule network idea. Our work can be divided into two contributions. First, we present a generic routing by…

Invariant and equivariant networks are useful in learning data with symmetry, including images, sets, point clouds, and graphs. In this paper, we consider invariant and equivariant networks for symmetries of finite groups. Invariant and…

Equivariant Graph Neural Networks (GNNs) have demonstrated significant success across various applications. To achieve completeness -- that is, the universal approximation property over the space of equivariant functions -- the network must…

Equivariance of neural networks to transformations helps to improve their performance and reduce generalization error in computer vision tasks, as they apply to datasets presenting symmetries (e.g. scalings, rotations, translations). The…

We introduce a machine-learning framework termed coarse-grained all-atom force field (CGAA-FF), which incorporates coarse-grained message passing within an all-atom force field using equivariant nature of graph models. The CGAA-FF model…

Graph neural networks (GNNs) have become a prevalent framework for graph tasks. Many recent studies have proposed the use of graph convolution methods over the numerous subgraphs of each graph, a concept known as subgraph graph neural…

Group equivariance (e.g. SE(3) equivariance) is a critical physical symmetry in science, from classical and quantum physics to computational biology. It enables robust and accurate prediction under arbitrary reference transformations. In…

Quantum neural network architectures that have little-to-no inductive biases are known to face trainability and generalization issues. Inspired by a similar problem, recent breakthroughs in machine learning address this challenge by…

Various classes of Graph Neural Networks (GNN) have been proposed and shown to be successful in a wide range of applications with graph structured data. In this paper, we propose a theoretical framework able to compare the expressive power…

The inclusion of symmetries as an inductive bias, known as equivariance, often improves generalization on geometric data (e.g. grids, sets, and graphs). However, equivariant architectures are usually highly constrained, designed for…

Graph neural networks (GNNs), which capture graph structures via a feature aggregation mechanism following the graph embedding framework, have demonstrated a powerful ability to support various tasks. According to the topology properties…

Surface parameterization plays an essential role in numerous computer graphics and geometry processing applications. Traditional parameterization approaches are designed for high-quality meshes laboriously created by specialized 3D…

Euclidean deep learning is often inadequate for addressing real-world signals where the representation space is irregular and curved with complex topologies. Interpreting the geometric properties of such feature spaces has become paramount…

This paper introduces a generative model equivariant to Euclidean symmetries: E(n) Equivariant Normalizing Flows (E-NFs). To construct E-NFs, we take the discriminative E(n) graph neural networks and integrate them as a differential…

We develop a Mean-Field (MF) view of the learning dynamics of overparametrized Artificial Neural Networks (NN) under data symmetric in law wrt the action of a general compact group $G$. We consider for this a class of generalized shallow…

We devise a new type of feedforward neural network. It is equivariant with respect to the unitary group $U(n)$. The input and output can be vectors in $\mathbb{C}^n$ with arbitrary dimension $n$. No convolution layer is required in our…

Graph Neural Network (GNN) is a powerful tool to perform standard machine learning on graphs. To have a Euclidean representation of every node in the Non-Euclidean graph-like data, GNN follows neighbourhood aggregation and combination of…