44 citations · 88 across the 6 of their papers we have counts for
6 papers
MANDALA: An E(3)-Equivariant Graph Neural Network Framework for Learning Electronic-Structure Operators with Observable Guidance
Bartosz Brzoza, Wiktoria Szopa, Zakaria Elabid +5
Electronic-structure calculations based on Kohn-Sham density functional theory remain indispensable in computational materials science and chemistry. Their computational cost, howe…
Molecules Meet Language: Confound-Aware Representation Learning and Chemical Property Steering in Transformer-VAE Latent Spaces
Zakaria Elabid, Jan Andrzejewski, Bartosz Brzoza +1
Molecular generative models often assume meaningful latent geometry, but apparent property predictability can reflect sequence-level shortcuts rather than chemical organization. We…
TG-PhyNN: An Enhanced Physically-Aware Graph Neural Network framework for forecasting Spatio-Temporal Data
Zakaria Elabid, Lena Sasal, Daniel Busby +1
Accurately forecasting dynamic processes on graphs, such as traffic flow or disease spread, remains a challenge. While Graph Neural Networks (GNNs) excel at modeling and forecastin…
Knowledge-Based Convolutional Neural Network for the Simulation and Prediction of Two-Phase Darcy Flows
Zakaria Elabid, Daniel Busby, Abdenour Hadid
Physics-informed neural networks (PINNs) have gained significant prominence as a powerful tool in the field of scientific computing and simulations. Their ability to seamlessly int…
Knowledge-based Deep Learning for Modeling Chaotic Systems
Zakaria Elabid, Tanujit Chakraborty, Abdenour Hadid
Deep Learning has received increased attention due to its unbeatable success in many fields, such as computer vision, natural language processing, recommendation systems, and most…
W-Transformers : A Wavelet-based Transformer Framework for Univariate Time Series Forecasting
Lena Sasal, Tanujit Chakraborty, Abdenour Hadid
Deep learning utilizing transformers has recently achieved a lot of success in many vital areas such as natural language processing, computer vision, anomaly detection, and recomme…