E (n) equivariant graph neural networks

VG Satorras, E Hoogeboom… - … conference on machine …, 2021 - proceedings.mlr.press
This paper introduces a new model to learn graph neural networks equivariant to rotations,
translations, reflections and permutations called E (n)-Equivariant Graph Neural Networks …

Simulation intelligence: Towards a new generation of scientific methods

A Lavin, D Krakauer, H Zenil, J Gottschlich… - arXiv preprint arXiv …, 2021 - arxiv.org
The original" Seven Motifs" set forth a roadmap of essential methods for the field of scientific
computing, where a motif is an algorithmic method that captures a pattern of computation …

Coordinate Independent Convolutional Networks--Isometry and Gauge Equivariant Convolutions on Riemannian Manifolds

M Weiler, P Forré, E Verlinde, M Welling - arXiv preprint arXiv:2106.06020, 2021 - arxiv.org
Motivated by the vast success of deep convolutional networks, there is a great interest in
generalizing convolutions to non-Euclidean manifolds. A major complication in comparison …

Geometric deep learning and equivariant neural networks

JE Gerken, J Aronsson, O Carlsson, H Linander… - Artificial Intelligence …, 2023 - Springer
We survey the mathematical foundations of geometric deep learning, focusing on group
equivariant and gauge equivariant neural networks. We develop gauge equivariant …

EDGI: Equivariant diffusion for planning with embodied agents

J Brehmer, J Bose, P De Haan… - Advances in Neural …, 2024 - proceedings.neurips.cc
Embodied agents operate in a structured world, often solving tasks with spatial, temporal,
and permutation symmetries. Most algorithms for planning and model-based reinforcement …

[HTML][HTML] Deep learning for molecules and materials

AD White - Living journal of computational molecular science, 2022 - ncbi.nlm.nih.gov
Deep learning is becoming a standard tool in chemistry and materials science. Although
there are learning materials available for deep learning, none cover the applications in …

Spin-weighted spherical cnns

C Esteves, A Makadia… - Advances in Neural …, 2020 - proceedings.neurips.cc
Learning equivariant representations is a promising way to reduce sample and model
complexity and improve the generalization performance of deep neural networks. The …

[PDF][PDF] Equivariant convolutional networks

T Cohen - 2021 - pure.uva.nl
Deep neural networks can solve many kinds of learning problems, but only if a lot of data is
available. For many problems (eg in medical imaging), it is expensive to acquire a large …

Geometry-complete perceptron networks for 3d molecular graphs

A Morehead, J Cheng - Bioinformatics, 2024 - academic.oup.com
Motivation The field of geometric deep learning has recently had a profound impact on
several scientific domains such as protein structure prediction and design, leading to …

Equivariance versus augmentation for spherical images

J Gerken, O Carlsson, H Linander… - International …, 2022 - proceedings.mlr.press
We analyze the role of rotational equivariance in convolutional neural networks (CNNs)
applied to spherical images. We compare the performance of the group equivariant …