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Multiplicative stochasticity such as Dropout improves the robustness and generalizability of deep neural networks. Here, we further demonstrate that always-on multiplicative stochasticity combined with simple threshold neurons are…
Machine-learning (ML) force fields enable large-scale simulations with near-first-principles accuracy at substantially reduced computational cost. Recent work has extended ML force-field approaches to adiabatic dynamical simulations of…
We study the problem of learning equivariant neural networks via gradient descent. The incorporation of known symmetries ("equivariance") into neural nets has empirically improved the performance of learning pipelines, in domains ranging…
Metanetworks are neural architectures designed to operate directly on pretrained weights to perform downstream tasks. However, the parameter space serves only as a proxy for the underlying function class, and the parameter-function mapping…
Graph Neural Networks (GNNs) have emerged as a powerful tool to learn from graph-structured data. A paramount example of such data is the brain, which operates as a network, from the micro-scale of neurons, to the macro-scale of regions.…
Symmetries (transformations by group actions) are present in many datasets, and leveraging them holds considerable promise for improving predictions in machine learning. In this work, we aim to understand when and how deep networks -- with…
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…
We consider solving partial differential equations (PDEs) with Fourier neural operators (FNOs), which operate in the frequency domain. Since the laws of physics do not depend on the coordinate system used to describe them, it is desirable…
Equivariance encodes known symmetries into neural networks, often enhancing generalization. However, equivariant networks cannot break symmetries: the output of an equivariant network must, by definition, have at least the same…
This paper presents a novel framework for non-linear equivariant neural network layers on homogeneous spaces. The seminal work of Cohen et al. on equivariant $G$-CNNs on homogeneous spaces characterized the representation theory of such…
Recently, many works have demonstrated that Symmetric Non-negative Matrix Factorization~(SymNMF) enjoys a great superiority for various clustering tasks. Although the state-of-the-art algorithms for SymNMF perform well on synthetic data,…
Graph neural networks (GNNs) have recently emerged as a dominant paradigm for machine learning with graphs. Research on GNNs has mainly focused on the family of message passing neural networks (MPNNs). Similar to the Weisfeiler-Leman (WL)…
Permutation equivariant neural networks employing parameter-sharing schemes have emerged as powerful models for leveraging a wide range of data symmetries, significantly enhancing the generalization and computational efficiency of the…
Convolutional Neural Networks(CNN) are inherently equivariant under translations, however, they do not have an equivalent embedded mechanism to handle other transformations such as rotations and change in scale. Several approaches exist…
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…
Many machine learning tasks involve learning functions that are known to be invariant or equivariant to certain symmetries of the input data. However, it is often challenging to design neural network architectures that respect these…
Currently, increasingly deeper neural networks have been applied to improve their accuracy. In contrast, We propose a novel wider Convolutional Neural Networks (CNN) architecture, motivated by the Multi-column Deep Neural Networks and the…
The effectiveness of neural processes (NPs) in modelling posterior prediction maps -- the mapping from data to posterior predictive distributions -- has significantly improved since their inception. This improvement can be attributed to two…
Group Convolutional Neural Networks (G-CNNs) constrain learned features to respect the symmetries in the selected group, and lead to better generalization when these symmetries appear in the data. If this is not the case, however,…
Automatic tumor or lesion segmentation is a crucial step in medical image analysis for computer-aided diagnosis. Although the existing methods based on Convolutional Neural Networks (CNNs) have achieved the state-of-the-art performance,…