Coarse-grained crystal graph neural networks for reticular materials design

V Korolev, A Mitrofanov - Journal of Chemical Information and …, 2024 - ACS Publications
Reticular materials, including metal–organic frameworks and covalent organic frameworks,
combine the relative ease of synthesis and an impressive range of applications in various …

Are hybrid approaches combining EKF-UKF and artificial neural networks key to unlocking the full potential of sustainable energy technologies and reducing …

WF Liang, M Maesoumi, A Basem, DJ Jasim, AJ Sultan… - Heliyon, 2024 - cell.com
The integration of traditional state estimation techniques like the Extended Kalman Filter
(EKF) and Unscented Kalman Filter (UKF) with modern artificial neural networks (ANNs) …

Analysis of static and dynamic batching algorithms for graph neural networks

D Speckhard, T Bechtel, S Kehl, J Godwin… - arxiv preprint arxiv …, 2025 - arxiv.org
Graph neural networks (GNN) have shown promising results for several domains such as
materials science, chemistry, and the social sciences. GNN models often contain millions of …