Related papers: PyTorch Geometric High Order: A Unified Library fo…

As Graph Neural Networks (GNNs) become popular, libraries like PyTorch-Geometric (PyG) and Deep Graph Library (DGL) are proposed; these libraries have emerged as the de facto standard for implementing GNNs because they provide…

We introduce PyTorch Geometric, a library for deep learning on irregularly structured input data such as graphs, point clouds and manifolds, built upon PyTorch. In addition to general graph data structures and processing methods, it…

We introduce pyGSL, a Python library that provides efficient implementations of state-of-the-art graph structure learning models along with diverse datasets to evaluate them on. The implementations are written in GPU-friendly ways, allowing…

Networks are ubiquitous in many real-world applications (e.g., social networks encoding trust/distrust relationships, correlation networks arising from time series data). While many networks are signed or directed, or both, there is a lack…

Higher-order graph neural networks (HOGNNs) and the related architectures from Topological Deep Learning are an important class of GNN models that harness polyadic relations between vertices beyond plain edges. They have been used to…

This paper introduces HyperNOs, a PyTorch library designed to streamline and automate the process of exploring neural operators, with a special focus on hyperparameter optimization for comprehensive and exhaustive exploration. Indeed,…

With the increasing adoption of graph neural networks (GNNs) in the machine learning community, GPUs have become an essential tool to accelerate GNN training. However, training GNNs on very large graphs that do not fit in GPU memory is…

We present PyTorch Geometric Temporal a deep learning framework combining state-of-the-art machine learning algorithms for neural spatiotemporal signal processing. The main goal of the library is to make temporal geometric deep learning…

Torch Geometric Pool (tgp) is a pooling library built on top of PyTorch Geometric. Graph pooling methods differ in how they assign nodes to supernodes, how they handle batches, what they return after pooling, and whether they expose…

Graph Neural Networks (GNNs) excel in node classification tasks but often assume homophily, where connected nodes share similar labels. This assumption does not hold in many real-world heterophilic graphs. Existing models for heterophilic…

Graph Neural Networks (GNNs) are emerging ML models to analyze graph-structure data. Graph Neural Network (GNN) execution involves both compute-intensive and memory-intensive kernels, the latter dominates the total time, being significantly…

From social to biological systems, many real-world systems are characterized by higher-order, non-dyadic interactions. Such systems are conveniently described by hypergraphs, where hyperedges encode interactions among an arbitrary number of…

Hypergraph, an expressive structure with flexibility to model the higher-order correlations among entities, has recently attracted increasing attention from various research domains. Despite the success of Graph Neural Networks (GNNs) for…

Temporal graph is an abstraction for modeling dynamic systems that consist of evolving interaction elements. In this paper, we aim to solve an important yet neglected problem -- how to learn information from high-order neighbors in temporal…

Understanding the halo-galaxy connection is fundamental in order to improve our knowledge on the nature and properties of dark matter. In this work we build a model that infers the mass of a halo given the positions, velocities, stellar…

PyG (PyTorch Geometric) has evolved significantly since its initial release, establishing itself as a leading framework for Graph Neural Networks. In this paper, we present Pyg 2.0 (and its subsequent minor versions), a comprehensive update…

Graph Convolutional Neural Network (GCNN) is a popular class of deep learning (DL) models in material science to predict material properties from the graph representation of molecular structures. Training an accurate and comprehensive GCNN…

Graphs model latent variable relationships in many real-world systems, and Message Passing Neural Networks (MPNNs) are widely used to learn such structures for downstream tasks. While edge-based MPNNs effectively capture local interactions,…

As Graph Neural Networks (GNNs) increase in popularity for scientific machine learning, their training and inference efficiency is becoming increasingly critical. Additionally, the deep learning field as a whole is trending towards wider…

With higher-order neighborhood information of graph network, the accuracy of graph representation learning classification can be significantly improved. However, the current higher order graph convolutional network has a large number of…