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Leveraging 2D molecular graph pretraining for improved 3D conformer generation with graph neural networks
Predicting stable 3D molecular conformations from 2D molecular graphs is a challenging and resource-intensive task, yet it is critical …
Kumail Alhamoud, Yasir Ghunaim, Abdulelah Alshehri, Guohao Li, Bernard Ghanem, Fengqi You
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Generalizability of Adversarial Robustness Under Distribution Shifts
We study the generalizability of adversarial robustness to unseen domains.
Kumail Alhamoud, Hasan Abed Al Kader Hammoud, Motasem Alfarra, Bernard Ghanem
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Hybrid Classical-Quantum Optimization Techniques for Solving Mixed-Integer Programming Problems in Production Scheduling
Quantum computing (QC) holds great promise to open up a new era of computing and has been receiving significant attention recently. To …
Akshay Ajagekar, Kumail Alhamoud, Fengqi You
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Hybrid Classical-Quantum Optimization Techniques for Solving Mixed-Integer Programming Problems in Production Scheduling