TY - GEN
T1 - Generalizing convolutional neural networks for equivariance to lie groups on arbitrary continuous data
AU - Finzi, Marc
AU - Stanton, Samuel
AU - Izmailov, Pavel
AU - Wilson, Andrew Gordon
N1 - Funding Information:
MF, SS, PI and AGW are supported by an Amazon Research Award, Amazon Machine Learning Research Award, Face-book Research, NSF I-DISRE 193471, NIH R01 DA048764-01A1, NSF IIS-1910266, NSF 1922658 NRT-HDR: FUTURE Foundations, Translation, and Responsibility for Data Science, and by the United States Department of Defense through the National Defense Science & Engineering Graduate (NDSEG) Fellowship Program. We thank Alex Wang for useful comments.
Publisher Copyright:
Copyright 2020 by the author(s).
PY - 2020
Y1 - 2020
N2 - The translation equivariance of convolutional layers enables convolutional neural networks to generalize well on image problems. While translation equivariance provides a powerful inductive bias for images, we often additionally desire equivariance to other transformations, such as rotations, especially for non-image data. We propose a general method to construct a convolutional layer that is equivariant to transformations from any specified Lie group with a surjective exponential map. Incorporating equivariance to a new group requires implementing only the group exponential and logarithm maps, enabling rapid prototyping. Showcasing the simplicity and generality of our method, we apply the same model architecture to images, ball-and-stick molecular data, and Hamiltonian dynamical systems. For Hamiltonian systems, the equivariance of our models is especially impactful, leading to exact conservation of linear and angular momentum.
AB - The translation equivariance of convolutional layers enables convolutional neural networks to generalize well on image problems. While translation equivariance provides a powerful inductive bias for images, we often additionally desire equivariance to other transformations, such as rotations, especially for non-image data. We propose a general method to construct a convolutional layer that is equivariant to transformations from any specified Lie group with a surjective exponential map. Incorporating equivariance to a new group requires implementing only the group exponential and logarithm maps, enabling rapid prototyping. Showcasing the simplicity and generality of our method, we apply the same model architecture to images, ball-and-stick molecular data, and Hamiltonian dynamical systems. For Hamiltonian systems, the equivariance of our models is especially impactful, leading to exact conservation of linear and angular momentum.
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M3 - Conference contribution
AN - SCOPUS:85105216282
T3 - 37th International Conference on Machine Learning, ICML 2020
SP - 3146
EP - 3157
BT - 37th International Conference on Machine Learning, ICML 2020
A2 - Daume, Hal
A2 - Singh, Aarti
PB - International Machine Learning Society (IMLS)
T2 - 37th International Conference on Machine Learning, ICML 2020
Y2 - 13 July 2020 through 18 July 2020
ER -