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Graph neural networks (GNNs) are powerful models that have been successful in various graph representation learning tasks. Whereas gradient boosted decision trees (GBDT) often outperform other machine learning methods when faced with…
Gaussian processes (GPs) are an attractive class of machine learning models because of their simplicity and flexibility as building blocks of more complex Bayesian models. Meanwhile, graph neural networks (GNNs) emerged recently as a…
We present a neural network architecture, Bispectral Neural Networks (BNNs) for learning representations that are invariant to the actions of compact commutative groups on the space over which a signal is defined. The model incorporates the…
Graph Convolutional Networks (GCNs) are a class of general models that can learn from graph structured data. Despite being general, GCNs are admittedly inferior to convolutional neural networks (CNNs) when applied to vision tasks, mainly…
Graph Neural Networks (GNNs) are widely used on a variety of graph-based machine learning tasks. For node-level tasks, GNNs have strong power to model the homophily property of graphs (i.e., connected nodes are more similar) while their…
Devising and analyzing learning models for spatiotemporal network data is of importance for tasks including forecasting, anomaly detection, and multi-agent coordination, among others. Graph Convolutional Neural Networks (GCNNs) are an…
Graph neural networks (GNNs) demonstrate a robust capability for representation learning on graphs with complex structures, showcasing superior performance in various applications. The majority of existing GNNs employ a graph convolution…
This paper introduces a new model to learn graph neural networks equivariant to rotations, translations, reflections and permutations called E(n)-Equivariant Graph Neural Networks (EGNNs). In contrast with existing methods, our work does…
Equivariant network architectures are a well-established tool for predicting invariant or equivariant quantities. However, almost all learning problems considered in this context feature a global symmetry, i.e. each point of the underlying…
Heterogeneous Graph Neural Networks (HGNNs) are a class of deep learning models designed specifically for heterogeneous graphs, which are graphs that contain different types of nodes and edges. This paper investigates the application of…
Group convolutional neural networks (G-CNNs) have been shown to increase parameter efficiency and model accuracy by incorporating geometric inductive biases. In this work, we investigate the properties of representations learned by regular…
Geometric quantum machine learning uses the symmetries inherent in data to design tailored machine learning tasks with reduced search space dimension. The field has been well-studied recently in an effort to avoid barren plateau issues…
Graph Neural Networks (GNNs) have emerged as a prominent research topic in the field of machine learning. Existing GNN models are commonly categorized into two types: spectral GNNs, which are designed based on polynomial graph filters, and…
Applications of machine learning techniques for materials modeling typically involve functions known to be equivariant or invariant to specific symmetries. While graph neural networks (GNNs) have proven successful in such tasks, they…
Subsampling is used in convolutional neural networks (CNNs) in the form of pooling or strided convolutions, to reduce the spatial dimensions of feature maps and to allow the receptive fields to grow exponentially with depth. However, it is…
Graph convolution networks (GCNs) have been enormously successful in learning representations over several graph-based machine learning tasks. Specific to learning rich node representations, most of the methods have solely relied on the…
In this work, we present and study Continuous Generative Neural Networks (CGNNs), namely, generative models in the continuous setting: the output of a CGNN belongs to an infinite-dimensional function space. The architecture is inspired by…
We introduce the framework of continuous-depth graph neural networks (GNNs). Neural graph differential equations (Neural GDEs) are formalized as the counterpart to GNNs where the input-output relationship is determined by a continuum of GNN…
Conformal symmetries, i.e.\ coordinate transformations that preserve angles, play a key role in many fields, including physics, mathematics, computer vision and (geometric) machine learning. Here we build a neural network that is…
Graph Neural Networks (GNNs) are key tools for graph representation learning, demonstrating strong results across diverse prediction tasks. In this paper, we present Convexified Message-Passing Graph Neural Networks (CGNNs), a novel and…