Related papers: On the Completeness of Invariant Geometric Deep Le…

Graph neural networks (GNNs) and message passing neural networks (MPNNs) have been proven to be expressive for subgraph structures in many applications. Some applications in heterogeneous graphs require explicit edge modeling, such as…

We present two novel generative geometric deep learning frameworks, termed Flow Matching PointNet and Diffusion PointNet, for predicting fluid flow variables on irregular geometries by incorporating PointNet into flow matching and diffusion…

Deep Learning (DL) has attracted a lot of attention for its ability to reach state-of-the-art performance in many machine learning tasks. The core principle of DL methods consists in training composite architectures in an end-to-end…

Graph Neural Networks (GNNs) have achieved remarkable success across diverse applications, yet they remain limited by oversmoothing and poor performance on heterophilic graphs. To address these challenges, we introduce a novel framework…

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…

Graph Neural Networks (GNNs) are a powerful tool for machine learning on graphs.GNNs combine node feature information with the graph structure by recursively passing neural messages along edges of the input graph. However, incorporating…

Self-explaining models are models that reveal decision making parameters in an interpretable manner so that the model reasoning process can be directly understood by human beings. General Linear Models (GLMs) are self-explaining because the…

Matrix completion models are among the most common formulations of recommender systems. Recent works have showed a boost of performance of these techniques when introducing the pairwise relationships between users/items in the form of…

Graph Neural Networks (GNNs) have significant advantages in handling non-Euclidean data and have been widely applied across various areas, thus receiving increasing attention in recent years. The framework of GNN models mainly includes 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…

Graph convolutional networks (GCNs) are a widely used method for graph representation learning. We investigate the power of GCNs, as a function of their number of layers, to distinguish between different random graph models on the basis of…

Driven by the outstanding performance of neural networks in the structured Euclidean domain, recent years have seen a surge of interest in developing neural networks for graphs and data supported on graphs. The graph is leveraged at each…

We present diffusion-convolutional neural networks (DCNNs), a new model for graph-structured data. Through the introduction of a diffusion-convolution operation, we show how diffusion-based representations can be learned from…

Many real-world interactions are group-based rather than pairwise such as papers with multiple co-authors and users jointly engaging with items. Hypergraph neural networks have shown great promise at modeling higher-order relations, but…

3D point clouds deep learning is a promising field of research that allows a neural network to learn features of point clouds directly, making it a robust tool for solving 3D scene understanding tasks. While recent works show that point…

The distance-geometric graph representation adopts a unified scheme (distance) for representing the geometry of three-dimensional(3D) graphs. It is invariant to rotation and translation of the graph and it reflects pair-wise node…

Point clouds are an increasingly relevant data type but they are often corrupted by noise. We propose a deep neural network based on graph-convolutional layers that can elegantly deal with the permutation-invariance problem encountered by…

Motivated by the intuition that one can transform two aligned point clouds to each other more easily and meaningfully than a misaligned pair, we propose CorrNet3D -- the first unsupervised and end-to-end deep learning-based framework -- to…

Graph neural networks (GNNs) excel in graph representation learning by integrating graph structure and node features. Existing GNNs, unfortunately, fail to account for the uncertainty of class probabilities that vary with the depth of the…

Many scientific fields study data with an underlying structure that is a non-Euclidean space. Some examples include social networks in computational social sciences, sensor networks in communications, functional networks in brain imaging,…