Nature

Transfer learning with graph neural networks for improved molecular property prediction in the multi-fidelity setting

We investigate the potential of graph neural networks (GNNs) for transfer learning and improved molecular property prediction in the context of funnels or screening cascades characteristic of drug ...
Nature

Attention mechanism-enhanced graph convolutional neural network for unbalanced lithology identification

In this study, we propose a novel method for identifying lithology using an attention mechanism-enhanced graph convolutional neural network (AGCN). The aim of this method is to address the limitations ...

Interpretable AI in materials discovery: Uncovering how models make predictions

A method to interpret artificial intelligence (AI) models used in materials discovery by analyzing their learned features has ...
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Nvidia Acquires Kumo AI in ~$400M Push Into Enterprise Predictive Models

Nvidia acquires Kumo AI for $400M, boosting enterprise predictive models with graph neural networks and automation for global business data.