Biomedical engineers at Duke University have developed a new method to improve the effectiveness of machine learning models. By pairing two machine learning models, one to gather data and one to ...

Graph neural networks have become essential for molecular property prediction in drug discovery and materials design. However, graph neural networks face a critical challenge called oversmoothing: ...

Molecular machine learning (ML) underpins critical workflows in drug discovery, material science, and catalyst optimization by rapidly predicting molecular interactions and properties. For instance, ...

This group employs the basic principles and instrumental techniques of the physical and chemical sciences to improve our understanding of complex food systems, thus enabling the production of longer ...