5 papers
A Givens-exchange ansatz for molecular variational eigensolvers
Azadeh Alavi, Fatemeh Kouchmeshki, Muhammad Usman +4
Molecular ground-state energies help determine conformer rankings, reaction energetics, and electronic effects in computational drug discovery, but accurate calculations become dif…
QBioFusion-QSAR: Morgan-Anchored Quantum Multiple Kernel Learning for Small-Data Ligand Classification
Azadeh Alavi, Fatemeh Kouchmeshki, Muhammad Usman +1
Small quantitative structure-activity relationship (QSAR) studies are difficult when close molecular analogues have different activity labels. This paper asks whether a quantum ker…
Geometric and Quantum Kernel Methods for Predicting Skeletal Muscle Outcomes in chronic obstructive pulmonary disease
Azadeh Alavi, Hamidreza Khalili, Stanley H. Chan +3
Chronic obstructive pulmonary disease (COPD) affects hundreds of millions of people worldwide, and skeletal-muscle dysfunction is clinically important. Quantum machine learning is…
Quantum Kernel Learning for Small Dataset Modeling in Semiconductor Fabrication: Application to Ohmic Contact
Zeheng Wang, Fangzhou Wang, Liang Li +5
Modeling complex semiconductor fabrication processes such as Ohmic contact formation remains challenging due to high-dimensional parameter spaces and limited experimental data. Whi…
Self-Adaptive Quantum Kernel Principal Components Analysis for Compact Readout of Chemiresistive Sensor Arrays
Zeheng Wang, Timothy van der Laan, Muhammad Usman
The rapid growth of Internet of Things (IoT) devices necessitates efficient data compression techniques to handle the vast amounts of data generated by these devices. Chemiresistiv…