Engineering Commons^™

Machine Learning For Electronic Structure Prediction, Shashank Pathrudkar

Dissertations, Master's Theses and Master's Reports

Kohn-Sham density functional theory is the work horse of computational material science research. The core of Kohn-Sham density functional theory, the Kohn-Sham equations, output charge density, energy levels and wavefunctions. In principle, the electron density can be used to obtain several other properties of interest including total potential energy of the system, atomic forces, binding energies and electric constants. In this work we present machine learning models designed to bypass the Kohn-Sham equations by directly predicting electron density. Two distinct models were developed: one tailored to predict electron density for quasi one-dimensional materials under strain, while the other is applicable …

Machine Learning And Deep Learning Approaches For Gene Regulatory Network Inference In Plant Species, Sai Teja Mummadi

Dissertations, Master's Theses and Master's Reports

The construction of gene regulatory networks (GRNs) is vital for understanding the regulation of metabolic pathways, biological processes, and complex traits during plant growth and responses to environmental cues and stresses. The increasing availability of public databases has facilitated the development of numerous methods for inferring gene regulatory relationships between transcription factors and their targets. However, there is limited research on supervised learning techniques that utilize available regulatory relationships of plant species in public databases.

This study investigates the potential of machine learning (ML), deep learning (DL), and hybrid approaches for constructing GRNs in plant species, specifically Arabidopsis thaliana, …

Estimation Of Multi-Directional Ankle Impedance As A Function Of Lower Extremity Muscle Activation, Lauren Knop

Dissertations, Master's Theses and Master's Reports

The purpose of this research is to investigate the relationship between the mechanical impedance of the human ankle and the corresponding lower extremity muscle activity. Three experimental studies were performed to measure the ankle impedance about multiple degrees of freedom (DOF), while the ankle was subjected to different loading conditions and different levels of muscle activity. The first study determined the non-loaded ankle impedance in the sagittal, frontal, and transverse anatomical planes while the ankle was suspended above the ground. The subjects actively co-contracted their agonist and antagonistic muscles to various levels, measured using electromyography (EMG). An Artificial Neural Network …