no code implementations • 16 Feb 2024 • David Buterez, Jon Paul Janet, Dino Oglic, Pietro Lio
Graph neural networks (GNNs) and variations of the message passing algorithm are the predominant means for learning on graphs, largely due to their flexibility, speed, and satisfactory performance.
1 code implementation • 9 Nov 2022 • David Buterez, Jon Paul Janet, Steven J. Kiddle, Dino Oglic, Pietro Liò
We argue that in some problems such as binding affinity prediction where molecules are typically presented in a canonical form it might be possible to relax the constraints on permutation invariance of the hypothesis space and learn a more effective model of the affinity by employing an adaptive readout function.
1 code implementation • 19 Feb 2021 • David Buterez
Deoxyribonucleic acid (DNA) has shown great promise in enabling computational applications, most notably in the fields of DNA digital data storage and DNA computing.