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ORCIDHatem Helal
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2020 – today
- 2024
[j2]Hatem Helal, Jesun Firoz, Jenna A. Bilbrey, Henry Sprueill, Kristina M. Herman
, Mario Michael Krell, Tom Murray, Manuel Lopez Roldan, Mike Kraus, Ang Li, Payel Das, Sotiris S. Xantheas, Sutanay Choudhury:
Acceleration of Graph Neural Network-Based Prediction Models in Chemistry via Co-Design Optimization on Intelligence Processing Units. J. Chem. Inf. Model. 64(5): 1568-1580 (2024)- [i8]Alexander Mathiasen, Hatem Helal, Paul Balanca, Adam Krzywaniak, Ali Parviz, Frederik Hvilshøj, Blazej Banaszewski, Carlo Luschi, Andrew William Fitzgibbon:
Reducing the Cost of Quantum Chemical Data By Backpropagating Through Density Functional Theory. CoRR abs/2402.04030 (2024) - [i7]Hatem Helal, Andrew W. Fitzgibbon:
MESS: Modern Electronic Structure Simulations. CoRR abs/2406.03121 (2024) - 2023
- [j1]Dominic Masters, Josef Dean, Kerstin Kläser, Zhiyi Li, Samuel Maddrell-Mander, Adam Sanders, Hatem Helal, Deniz Beker, Andrew W. Fitzgibbon, Shenyang Huang, Ladislav Rampásek, Dominique Beaini:
GPS++: Reviving the Art of Message Passing for Molecular Property Prediction. Trans. Mach. Learn. Res. 2023 (2023) - [c1]Alexander Mathiasen, Hatem Helal, Kerstin Klaser, Paul Balanca, Josef Dean, Carlo Luschi, Dominique Beaini, Andrew W. Fitzgibbon, Dominic Masters:
Generating QM1B with PySCFIPU. NeurIPS 2023 - [i6]Dominic Masters, Josef Dean, Kerstin Klaser, Zhiyi Li, Sam Maddrell-Mander, Adam Sanders, Hatem Helal, Deniz Beker, Andrew W. Fitzgibbon, Shenyang Huang, Ladislav Rampásek, Dominique Beaini:
GPS++: Reviving the Art of Message Passing for Molecular Property Prediction. CoRR abs/2302.02947 (2023) - [i5]Alexander Mathiasen, Hatem Helal, Kerstin Klaser, Paul Balanca, Josef Dean, Carlo Luschi, Dominique Beaini, Andrew W. Fitzgibbon, Dominic Masters:
Generating QM1B with PySCFIPU. CoRR abs/2311.01135 (2023) - 2022
- [i4]Mario Michael Krell, Manuel Lopez Roldan, Sreenidhi Anand, Hatem Helal, Andrew William Fitzgibbon:
Tuple Packing: Efficient Batching of Small Graphs in Graph Neural Networks. CoRR abs/2209.06354 (2022) - [i3]Jenna A. Bilbrey, Kristina M. Herman, Henry Sprueill, Sotiris S. Xantheas, Payel Das, Manuel Lopez Roldan, Mike Kraus, Hatem Helal, Sutanay Choudhury:
Reducing Down(stream)time: Pretraining Molecular GNNs using Heterogeneous AI Accelerators. CoRR abs/2211.04598 (2022) - [i2]Hatem Helal, Jesun Firoz, Jenna A. Bilbrey, Mario Michael Krell, Tom Murray, Ang Li, Sotiris S. Xantheas, Sutanay Choudhury:
Extreme Acceleration of Graph Neural Network-based Prediction Models for Quantum Chemistry. CoRR abs/2211.13853 (2022) - [i1]Dominic Masters, Josef Dean, Kerstin Klaser, Zhiyi Li, Sam Maddrell-Mander, Adam Sanders, Hatem Helal, Deniz Beker, Ladislav Rampásek, Dominique Beaini:
GPS++: An Optimised Hybrid MPNN/Transformer for Molecular Property Prediction. CoRR abs/2212.02229 (2022)
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