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We present a new class of equivariant neural networks, hereby dubbed Lattice-Equivariant Neural Networks (LENNs), designed to satisfy local symmetries of a lattice structure. Our approach develops within a recently introduced framework…

Computational Physics · Physics 2025-04-30 Giulio Ortali , Alessandro Gabbana , Imre Atmodimedjo , Alessandro Corbetta

Data augmentation is a powerful mechanism in equivariant machine learning, encouraging symmetry by training networks to produce consistent outputs under transformed inputs. Yet, effective augmentation typically requires the underlying…

Machine Learning · Computer Science 2026-02-13 Eduardo Santos-Escriche , Ya-Wei Eileen Lin , Stefanie Jegelka

Many learning tasks, including learning potential energy surfaces from ab initio calculations, involve global spatial symmetries and permutational symmetry between atoms or general particles. Equivariant graph neural networks are a standard…

Machine Learning · Computer Science 2024-05-24 Zimu Li , Zihan Pengmei , Han Zheng , Erik Thiede , Junyu Liu , Risi Kondor

Many types of neural network layers rely on matrix properties such as invertibility or orthogonality. Retaining such properties during optimization with gradient-based stochastic optimizers is a challenging task, which is usually addressed…

Machine Learning · Statistics 2020-12-02 Andreas Krämer , Jonas Köhler , Frank Noé

Real-world geometry and 3D vision tasks are replete with challenging symmetries that defy tractable analytical expression. In this paper, we introduce Neural Isometries, an autoencoder framework which learns to map the observation space to…

Computer Vision and Pattern Recognition · Computer Science 2024-10-31 Thomas W. Mitchel , Michael Taylor , Vincent Sitzmann

Assumptions about invariances or symmetries in data can significantly increase the predictive power of statistical models. Many commonly used models in machine learning are constraint to respect certain symmetries in the data, such as…

Machine Learning · Statistics 2022-08-03 Tycho F. A. van der Ouderaa , Mark van der Wilk

Recently, a variety of new equivariant neural network model architectures have been proposed that generalize better over rotational and reflectional symmetries than standard models. These models are relevant to robotics because many…

Robotics · Computer Science 2021-11-01 Dian Wang , Robin Walters , Xupeng Zhu , Robert Platt

Equivariance guarantees that a model's predictions capture key symmetries in data. When an image is translated or rotated, an equivariant model's representation of that image will translate or rotate accordingly. The success of…

Machine Learning · Computer Science 2024-06-19 Nate Gruver , Marc Finzi , Micah Goldblum , Andrew Gordon Wilson

Equivariant neural networks are neural networks with symmetry. Motivated by the theory of group representations, we decompose the layers of an equivariant neural network into simple representations. The nonlinear activation functions lead…

Machine Learning · Computer Science 2026-03-30 Joel Gibson , Daniel Tubbenhauer , Geordie Williamson

Machine learning pipelines that include a combinatorial optimization layer can give surprisingly efficient heuristics for difficult combinatorial optimization problems. Three questions remain open: which architecture should be used, how…

Robotics · Computer Science 2023-02-07 Axel Parmentier

Deep learning models are often considered black boxes due to their complex hierarchical transformations. Identifying suitable architectures is crucial for maximizing predictive performance with limited data. Understanding the geometric…

Machine Learning · Computer Science 2025-03-11 Michael Wienczkowski , Addisu Desta , Paschal Ugochukwu

Convolutional neural networks revolutionized computer vision and natrual language processing. Their efficiency, as compared to fully connected neural networks, has its origin in the architecture, where convolutions reflect the translation…

Machine Learning · Computer Science 2023-01-10 Patrick Krüger , Hanno Gottschalk

Many scientific problems require to process data in the form of geometric graphs. Unlike generic graph data, geometric graphs exhibit symmetries of translations, rotations, and/or reflections. Researchers have leveraged such inductive bias…

Machine Learning · Computer Science 2022-02-23 Jiaqi Han , Yu Rong , Tingyang Xu , Wenbing Huang

The principle of equivariance to symmetry transformations enables a theoretically grounded approach to neural network architecture design. Equivariant networks have shown excellent performance and data efficiency on vision and medical…

Machine Learning · Computer Science 2019-05-15 Taco S. Cohen , Maurice Weiler , Berkay Kicanaoglu , Max Welling

Recent works have highlighted scale invariance or symmetry present in the weight space of a typical deep network and the adverse effect it has on the Euclidean gradient based stochastic gradient descent optimization. In this work, we show…

Machine Learning · Computer Science 2015-11-04 Vijay Badrinarayanan , Bamdev Mishra , Roberto Cipolla

Little is known about the training dynamics of equivariant neural networks, in particular how it compares to data augmented training of their non-equivariant counterparts. Recently, neural tangent kernels (NTKs) have emerged as a powerful…

Machine Learning · Computer Science 2025-02-03 Philipp Misof , Pan Kessel , Jan E. Gerken

(Non-)robustness of neural networks to small, adversarial pixel-wise perturbations, and as more recently shown, to even random spatial transformations (e.g., translations, rotations) entreats both theoretical and empirical understanding.…

Machine Learning · Computer Science 2021-11-11 Sandesh Kamath , Amit Deshpande , K V Subrahmanyam , Vineeth N Balasubramanian

Many successful deep learning architectures are equivariant to certain transformations in order to conserve parameters and improve generalization: most famously, convolution layers are equivariant to shifts of the input. This approach only…

Machine Learning · Computer Science 2021-03-31 Allan Zhou , Tom Knowles , Chelsea Finn

The optimisation of neural networks can be sped up by orthogonalising the gradients before the optimisation step, ensuring the diversification of the learned representations. We orthogonalise the gradients of the layer's components/filters…

Machine Learning · Computer Science 2022-02-16 Mark Tuddenham , Adam Prügel-Bennett , Jonathan Hare

The set of functions parameterized by a linear fully-connected neural network is a determinantal variety. We investigate the subvariety of functions that are equivariant or invariant under the action of a permutation group. Examples of such…

Machine Learning · Computer Science 2025-01-13 Kathlén Kohn , Anna-Laura Sattelberger , Vahid Shahverdi