Related papers: AdS-GNN -- a Conformally Equivariant Graph Neural …

Recognizing precise geometrical configurations of groups of objects is a key capability of human spatial cognition, yet little studied in the deep learning literature so far. In particular, a fundamental problem is how a machine can learn…

Graph neural network (GNN) models are increasingly being used for the classification of electroencephalography (EEG) data. However, GNN-based diagnosis of neurological disorders, such as Alzheimer's disease (AD), remains a relatively…

Equivariant Graph Neural Networks (eGNNs) trained on density-functional theory (DFT) data can potentially perform electronic structure prediction at unprecedented scales, enabling investigation of the electronic properties of materials with…

Deep Graph Networks (DGNs) currently dominate the research landscape of learning from graphs, due to their efficiency and ability to implement an adaptive message-passing scheme between the nodes. However, DGNs are typically limited in…

Learning from unordered sets is a fundamental learning setup, recently attracting increasing attention. Research in this area has focused on the case where elements of the set are represented by feature vectors, and far less emphasis has…

Graphs are one of the most important data structures for representing pairwise relations between objects. Specifically, a graph embedded in a Euclidean space is essential to solving real problems, such as physical simulations. A crucial…

Graph neural networks (GNNs) have significantly improved the representation power for graph-structured data. Despite of the recent success of GNNs, the graph convolution in most GNNs have two limitations. Since the graph convolution is…

Geometric deep learning refers to the scenario in which the symmetries of a dataset are used to constrain the parameter space of a neural network and thus, improve their trainability and generalization. Recently this idea has been…

The ability of convolutional neural networks (CNNs) to recognize objects regardless of their position in the image is due to the translation-equivariance of the convolutional operation. Group-equivariant CNNs transfer this equivariance to…

We present a SE(3)-equivariant graph neural network (GNN) approach that directly predicting the formation factor and effective permeability from micro-CT images. FFT solvers are established to compute both the formation factor and effective…

Including covariant information, such as position, force, velocity or spin is important in many tasks in computational physics and chemistry. We introduce Steerable E(3) Equivariant Graph Neural Networks (SEGNNs) that generalise equivariant…

Symmetry is omnipresent in nature and perceived by the visual system of many species, as it facilitates detecting ecologically important classes of objects in our environment. Symmetry perception requires abstraction of long-range spatial…

By recursively summing node features over entire neighborhoods, spatial graph convolution operators have been heralded as key to the success of Graph Neural Networks (GNNs). Yet, despite the multiplication of GNN methods across tasks and…

\Graph similarity computation is an essential task in many real-world graph-related applications such as retrieving the similar drugs given a query chemical compound or finding the user's potential friends from the social network database.…

Graph Neural Networks (GNN) can capture the geometric properties of neural representations in EEG data. Here we utilise those to study how reinforcement-based motor learning affects neural activity patterns during motor planning, leveraging…

Conformal Autoencoders are a neural network architecture that imposes orthogonality conditions between the gradients of latent variables to obtain disentangled representations of data. In this work we show that orthogonality relations…

Convolutional Neural Networks (CNN) have been successful in processing data signals that are uniformly sampled in the spatial domain (e.g., images). However, most data signals do not natively exist on a grid, and in the process of being…

Group equivariance (e.g. SE(3) equivariance) is a critical physical symmetry in science, from classical and quantum physics to computational biology. It enables robust and accurate prediction under arbitrary reference transformations. In…

Quantum neural network architectures that have little-to-no inductive biases are known to face trainability and generalization issues. Inspired by a similar problem, recent breakthroughs in machine learning address this challenge by…

In this paper, we design Graph Neural Networks (GNNs) with attention mechanisms to tackle an important yet challenging nonlinear regression problem: massive network localization. We first review our previous network localization method…