Adaptive Sampling for Continuous Group Equivariant Neural Networks

Steerable networks, which process data with intrinsic symmetries, often use Fourier-based nonlinearities that require sampling from the entire group, leading to a need for discretization in continuous groups. As the number of samples increases, both performance and equivariance improve, yet this also leads to higher computational costs. To address this, we introduce an adaptive sampling approach that dynamically adjusts the sampling process to the symmetries in the data, reducing the number of required group samples and lowering the computational demands. We explore various implementations and their effects on model performance, equivariance, and computational efficiency. Our findings demonstrate improved model performance, and a marginal increase in memory efficiency.

A Probabilistic Approach to Learning the Degree of Equivariance in Steerable CNNs

Steerable convolutional neural networks (SCNNs) enhance task performance by modelling geometric symmetries through equivariance constraints on weights. Yet, unknown or varying symmetries can lead to overconstrained weights and decreased performance. To address this, this paper introduces a probabilistic method to learn the degree of equivariance in SCNNs. We parameterise the degree of equivariance as a likelihood distribution over the transformation group using Fourier coefficients, offering the option to model layer-wise and shared equivariance. These likelihood distributions are regularised to ensure an interpretable degree of equivariance across the network. Advantages include the applicability to many types of equivariant networks through the flexible framework of SCNNs and the ability to learn equivariance with respect to any subgroup of any compact group without requiring additional layers. Our experiments reveal competitive performance on datasets with mixed symmetries, with learnt likelihood distributions that are representative of the underlying degree of equivariance.

Equivariant amortized inference of poses for cryo-EM

Cryo-EM is a vital technique for determining 3D structure of biological molecules such as proteins and viruses. The cryo-EM reconstruction problem is challenging due to the high noise levels, the missing poses of particles, and the computational demands of processing large datasets. A promising solution to these challenges lies in the use of amortized inference methods, which have shown particular efficacy in pose estimation for large datasets. However, these methods also encounter convergence issues, often necessitating sophisticated initialization strategies or engineered solutions for effective convergence. Building upon the existing cryoAI pipeline, which employs a symmetric loss function to address convergence problems, this work explores the emergence and persistence of these issues within the pipeline. Additionally, we explore the impact of equivariant amortized inference on enhancing convergence. Our investigations reveal that, when applied to simulated data, a pipeline incorporating an equivariant encoder not only converges faster and more frequently than the standard approach but also demonstrates superior performance in terms of pose estimation accuracy and the resolution of the reconstructed volume. Notably, $D_4$-equivariant encoders make the symmetric loss superfluous and, therefore, allow for a more efficient reconstruction pipeline.

Algebraic Topological Networks via the Persistent Local Homology Sheaf

In this work, we introduce a novel approach based on algebraic topology to enhance graph convolution and attention modules by incorporating local topological properties of the data. To do so, we consider the framework of sheaf neural networks, which has been previously leveraged to incorporate additional structure into graph neural networks' features and construct more expressive, non-isotropic messages. Specifically, given an input simplicial complex (e.g. generated by the cliques of a graph or the neighbors in a point cloud), we construct its local homology sheaf, which assigns to each node the vector space of its local homology. The intermediate features of our networks live in these vector spaces and we leverage the associated sheaf Laplacian to construct more complex linear messages between them. Moreover, we extend this approach by considering the persistent version of local homology associated with a weighted simplicial complex (e.g., built from pairwise distances of nodes embeddings). This i) solves the problem of the lack of a natural choice of basis for the local homology vector spaces and ii) makes the sheaf itself differentiable, which enables our models to directly optimize the topology of their intermediate features.

Neural Lattice Reduction: A Self-Supervised Geometric Deep Learning Approach

Lattice reduction is a combinatorial optimization problem aimed at finding the most orthogonal basis in a given lattice. In this work, we address lattice reduction via deep learning methods. We design a deep neural model outputting factorized unimodular matrices and train it in a self-supervised manner by penalizing non-orthogonal lattice bases. We incorporate the symmetries of lattice reduction into the model by making it invariant and equivariant with respect to appropriate continuous and discrete groups.

Implicit Neural Convolutional Kernels for Steerable CNNs

Steerable convolutional neural networks (CNNs) provide a general framework for building neural networks equivariant to translations and other transformations belonging to an origin-preserving group $G$, such as reflections and rotations. They rely on standard convolutions with $G$-steerable kernels obtained by analytically solving the group-specific equivariance constraint imposed onto the kernel space. As the solution is tailored to a particular group $G$, the implementation of a kernel basis does not generalize to other symmetry transformations, which complicates the development of group equivariant models. We propose using implicit neural representation via multi-layer perceptrons (MLPs) to parameterize $G$-steerable kernels. The resulting framework offers a simple and flexible way to implement Steerable CNNs and generalizes to any group $G$ for which a $G$-equivariant MLP can be built. We apply our method to point cloud (ModelNet-40) and molecular data (QM9) and demonstrate a significant improvement in performance compared to standard Steerable CNNs.

A PAC-Bayesian Generalization Bound for Equivariant Networks

Equivariant networks capture the inductive bias about the symmetry of the learning task by building those symmetries into the model. In this paper, we study how equivariance relates to generalization error utilizing PAC Bayesian analysis for equivariant networks, where the transformation laws of feature spaces are determined by group representations. By using perturbation analysis of equivariant networks in Fourier domain for each layer, we derive norm-based PAC-Bayesian generalization bounds. The bound characterizes the impact of group size, and multiplicity and degree of irreducible representations on the generalization error and thereby provide a guideline for selecting them. In general, the bound indicates that using larger group size in the model improves the generalization error substantiated by extensive numerical experiments.

A Data and Compute Efficient Design for Limited-Resources Deep Learning

Thanks to their improved data efficiency, equivariant neural networks have gained increased interest in the deep learning community. They have been successfully applied in the medical domain where symmetries in the data can be effectively exploited to build more accurate and robust models. To be able to reach a much larger body of patients, mobile, on-device implementations of deep learning solutions have been developed for medical applications. However, equivariant models are commonly implemented using large and computationally expensive architectures, not suitable to run on mobile devices. In this work, we design and test an equivariant version of MobileNetV2 and further optimize it with model quantization to enable more efficient inference. We achieve close-to state of the art performance on the Patch Camelyon (PCam) medical dataset while being more computationally efficient.

General $E(2)$-Equivariant Steerable CNNs

The big empirical success of group equivariant networks has led in recent years to the sprouting of a great variety of equivariant network architectures. A particular focus has thereby been on rotation and reflection equivariant CNNs for planar images. Here we give a general description of $E(2)$-equivariant convolutions in the framework of Steerable CNNs. The theory of Steerable CNNs thereby yields constraints on the convolution kernels which depend on group representations describing the transformation laws of feature spaces. We show that these constraints for arbitrary group representations can be reduced to constraints under irreducible representations. A general solution of the kernel space constraint is given for arbitrary representations of the Euclidean group $E(2)$ and its subgroups. We implement a wide range of previously proposed and entirely new equivariant network architectures and extensively compare their performances. $E(2)$-steerable convolutions are further shown to yield remarkable gains on CIFAR-10, CIFAR-100 and STL-10 when used as a drop-in replacement for non-equivariant convolutions.