Hardware Acceleration of Graph Neural Networks

Author(s):  
Adam Auten ◽  
Matthew Tomei ◽  
Rakesh Kumar
2022 ◽  
Vol 54 (9) ◽  
pp. 1-38
Author(s):  
Sergi Abadal ◽  
Akshay Jain ◽  
Robert Guirado ◽  
Jorge López-Alonso ◽  
Eduard Alarcón

Graph Neural Networks (GNNs) have exploded onto the machine learning scene in recent years owing to their capability to model and learn from graph-structured data. Such an ability has strong implications in a wide variety of fields whose data are inherently relational, for which conventional neural networks do not perform well. Indeed, as recent reviews can attest, research in the area of GNNs has grown rapidly and has lead to the development of a variety of GNN algorithm variants as well as to the exploration of ground-breaking applications in chemistry, neurology, electronics, or communication networks, among others. At the current stage research, however, the efficient processing of GNNs is still an open challenge for several reasons. Besides of their novelty, GNNs are hard to compute due to their dependence on the input graph, their combination of dense and very sparse operations, or the need to scale to huge graphs in some applications. In this context, this article aims to make two main contributions. On the one hand, a review of the field of GNNs is presented from the perspective of computing. This includes a brief tutorial on the GNN fundamentals, an overview of the evolution of the field in the last decade, and a summary of operations carried out in the multiple phases of different GNN algorithm variants. On the other hand, an in-depth analysis of current software and hardware acceleration schemes is provided, from which a hardware-software, graph-aware, and communication-centric vision for GNN accelerators is distilled.


2020 ◽  
Author(s):  
Artur Schweidtmann ◽  
Jan Rittig ◽  
Andrea König ◽  
Martin Grohe ◽  
Alexander Mitsos ◽  
...  

<div>Prediction of combustion-related properties of (oxygenated) hydrocarbons is an important and challenging task for which quantitative structure-property relationship (QSPR) models are frequently employed. Recently, a machine learning method, graph neural networks (GNNs), has shown promising results for the prediction of structure-property relationships. GNNs utilize a graph representation of molecules, where atoms correspond to nodes and bonds to edges containing information about the molecular structure. More specifically, GNNs learn physico-chemical properties as a function of the molecular graph in a supervised learning setup using a backpropagation algorithm. This end-to-end learning approach eliminates the need for selection of molecular descriptors or structural groups, as it learns optimal fingerprints through graph convolutions and maps the fingerprints to the physico-chemical properties by deep learning. We develop GNN models for predicting three fuel ignition quality indicators, i.e., the derived cetane number (DCN), the research octane number (RON), and the motor octane number (MON), of oxygenated and non-oxygenated hydrocarbons. In light of limited experimental data in the order of hundreds, we propose a combination of multi-task learning, transfer learning, and ensemble learning. The results show competitive performance of the proposed GNN approach compared to state-of-the-art QSPR models making it a promising field for future research. The prediction tool is available via a web front-end at www.avt.rwth-aachen.de/gnn.</div>


2020 ◽  
Author(s):  
Zheng Lian ◽  
Jianhua Tao ◽  
Bin Liu ◽  
Jian Huang ◽  
Zhanlei Yang ◽  
...  

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