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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…

Machine Learning · Computer Science 2021-06-23 Michael Poli , Stefano Massaroli , Clayton M. Rabideau , Junyoung Park , Atsushi Yamashita , Hajime Asama , Jinkyoo Park

Graph neural network (GNN)'s success in graph classification is closely related to the Weisfeiler-Lehman (1-WL) algorithm. By iteratively aggregating neighboring node features to a center node, both 1-WL and GNN obtain a node representation…

Machine Learning · Computer Science 2021-10-27 Muhan Zhang , Pan Li

We present Graph Random Neural Features (GRNF), a novel embedding method from graph-structured data to real vectors based on a family of graph neural networks. The embedding naturally deals with graph isomorphism and preserves the metric…

Machine Learning · Computer Science 2020-06-03 Daniele Zambon , Cesare Alippi , Lorenzo Livi

We introduce BN-Pool, the first clustering-based pooling method for Graph Neural Networks that adaptively determines the number of supernodes in a coarsened graph. BN-Pool leverages a generative model based on a Bayesian nonparametric…

Machine Learning · Computer Science 2026-04-02 Daniele Castellana , Filippo Maria Bianchi

There has been tremendous success in the field of graph neural networks (GNNs) as a result of the development of the message-passing (MP) layer, which updates the representation of a node by combining it with its neighbors to address…

Machine Learning · Computer Science 2022-02-11 Hyeokjin Kwon , Jong-Min Lee

Graph Neural Networks (GNNs) have emerged as a powerful and flexible framework for representation learning on irregular data. As they generalize the operations of classical CNNs on grids to arbitrary topologies, GNNs also bring much of the…

Machine Learning · Computer Science 2021-03-31 Mehdi Bahri , Gaétan Bahl , Stefanos Zafeiriou

This article presents a graph neural network (GNN) based surrogate modeling approach for fluid-acoustic shape optimization. The GNN model transforms mesh-based simulations into a computational graph, enabling global prediction of pressure…

Fluid Dynamics · Physics 2024-12-24 Farnoosh Hadizadeh , Wrik Mallik , Rajeev K. Jaiman

Graph neural networks are a versatile machine learning architecture that received a lot of attention recently. In this technical report, we present an implementation of convolution and pooling layers for TensorFlow-Keras models, which…

Machine Learning · Computer Science 2023-10-12 Patrick Reiser , Andre Eberhard , Pascal Friederich

Probabilistic graphical models provide a powerful tool to describe complex statistical structure, with many real-world applications in science and engineering from controlling robotic arms to understanding neuronal computations. A major…

Artificial Intelligence · Computer Science 2023-05-04 Yicheng Fei , Xaq Pitkow

The recent introduction of Graph Neural Networks (GNNs) and their growing popularity in the past few years has enabled the application of deep learning algorithms to non-Euclidean, graph-structured data. GNNs have achieved state-of-the-art…

Machine Learning · Computer Science 2020-10-27 Tuomas P. Oikarinen , Daniel C. Hannah , Sohrob Kazerounian

Convolutional neural networks (CNN) are limited by the lack of capability to handle geometric information due to the fixed grid kernel structure. The availability of depth data enables progress in RGB-D semantic segmentation with CNNs.…

Computer Vision and Pattern Recognition · Computer Science 2018-03-20 Weiyue Wang , Ulrich Neumann

Advancing research in the emerging field of deep graph learning requires new tools to support tensor computation over graphs. In this paper, we present the design principles and implementation of Deep Graph Library (DGL). DGL distills the…

Graph Neural Networks (GNNs) typically scale with the number of graph edges, making them well suited for sparse graphs but less efficient on dense graphs, such as point clouds or molecular interactions. A common remedy is to sparsify the…

Machine Learning · Computer Science 2025-12-03 Shiyu Chen , Ningyuan Huang , Soledad Villar

The graph coloring problem asks for an assignment of the minimum number of distinct colors to vertices in an undirected graph with the constraint that no pair of adjacent vertices share the same color. The problem is a thoroughly studied…

Machine Learning · Computer Science 2024-08-12 Kenneth Langedal , Fredrik Manne

Graph Neural Networks (GNNs) are deep-learning architectures designed for graph-type data, where understanding relationships among individual observations is crucial. However, achieving promising GNN performance, especially on unseen data,…

Machine Learning · Computer Science 2024-05-22 Lequan Lin , Dai Shi , Andi Han , Zhiyong Wang , Junbin Gao

Classifying whole images is a classic problem in machine learning, and graph neural networks are a powerful methodology to learn highly irregular geometries. It is often the case that certain parts of a point cloud are more important than…

Computer Vision and Pattern Recognition · Computer Science 2020-03-19 Lindsey Gray , Thomas Klijnsma , Shamik Ghosh

Generating graph structures is a challenging problem due to the diverse representations and complex dependencies among nodes. In this paper, we introduce Graph Variational Recurrent Neural Network (GraphVRNN), a probabilistic autoregressive…

Machine Learning · Computer Science 2019-10-07 Shih-Yang Su , Hossein Hajimirsadeghi , Greg Mori

Recognizing objects and scenes are two challenging but essential tasks in image understanding. In particular, the use of RGB-D sensors in handling these tasks has emerged as an important area of focus for better visual understanding.…

Computer Vision and Pattern Recognition · Computer Science 2022-01-12 Ali Caglayan , Nevrez Imamoglu , Ahmet Burak Can , Ryosuke Nakamura

Graph Neural Networks (GNNs) bring the power of deep representation learning to graph and relational data and achieve state-of-the-art performance in many applications. GNNs compute node representations by taking into account the topology…

Machine Learning · Computer Science 2021-09-10 Maria Kalantzi , George Karypis

Graph Neural Networks (GNNs) have been widely used for the representation learning of various structured graph data. While promising, most existing GNNs oversimplified the complexity and diversity of the edges in the graph, and thus…

Machine Learning · Computer Science 2021-10-07 Hao Peng , Ruitong Zhang , Yingtong Dou , Renyu Yang , Jingyi Zhang , Philip S. Yu