2024
On the Scalability of GNNs for Molecular Graphs
Maciej Sypetkowski, Frederik Wenkel, Farimah Poursafaei, Nia Dickson, Karush Suri, Philip Fradkin +1
NeurIPS 2024poster
Scaling deep learning models has been at the heart of recent revolutions in language modelling and image generation. Practitioners have observed a strong relationship between model size, dataset size, and performance. However, structure-based architectures such as Graph Neural Networks (GNNs) are ye…