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MSU Graduate Theses

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Machine learning

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Machine Learning Strategies For Potential Development In High-Entropy Driven Nickel-Based Superalloys, Marium Mostafiz Mou Jan 2023

Machine Learning Strategies For Potential Development In High-Entropy Driven Nickel-Based Superalloys, Marium Mostafiz Mou

MSU Graduate Theses

In this study, I developed Deep Learning interatomic potentials to model a multi-phase and multi-component system of Ni-based Superalloys. The system has up to three major phase constituents, namely Gamma, Gamma Prime, and Transition-metal rich Carbide. I utilized invariant scalar-based and/or equivariant, tensor-based neural network (NN) approach as implemented in DEEPMD, NEQUIP/ALLEGRO codes, respectively, and Moment Tensor Potential (MTP). For the training and validation sets, I employed the ab-initio molecular dynamics (AIMD) trajectory results and ground state DFT calculations, including the energy, force, and virial database from highly diverse compositions, temperatures, and pressures following a “High Entropy Strategy.” The Deep …


Modeling Of Argon Bombardment And Densification Of Low Temperature Organic Precursors Using Reactive Md Simulations And Machine Learning, Kwabena Asante-Boahen Aug 2021

Modeling Of Argon Bombardment And Densification Of Low Temperature Organic Precursors Using Reactive Md Simulations And Machine Learning, Kwabena Asante-Boahen

MSU Graduate Theses

In this study, an important aspect of the synthesis process for a-BxC:Hy was systematically modeled by utilizing the Reactive Molecular Dynamics (MD) in modeling the argon bombardment from the orthocarborane molecules as the precursor. The MD simulations are used to assess the dynamics associated with the free radicals that result from the ion bombardment. By applying the Data Mining/Machine Learning analysis into the datasets generated from the large reactive MD simulations, I was able to identify and quality the kinetics of these radicals. Overall, this approach allows for a better understanding of the overall mechanism at the atomistic level of …


Cloud Resource Prediction Using Explainable And Cooperative Artificial Neural Networks, Nathan R. Nelson Aug 2020

Cloud Resource Prediction Using Explainable And Cooperative Artificial Neural Networks, Nathan R. Nelson

MSU Graduate Theses

This work proposes a system for predicting cloud resource utilization by using runtime assembled cooperative artificial neural networks (RACANN). RACANN breaks up the problem into smaller contexts, each represented by a small-scale artificial neural network (ANN). The relevant ANNs are joined together at runtime when the context is present in the data for training and predictions. By analyzing the structure of a complete ANN, the influence of inputs is calculated and used to create linguistic descriptions (LD) of model behavior, so RACANN becomes explainable (eRACANN). The predictive results of eRACANN are compared against its prototype and a single deep ANN …


Applications Of Artificial Intelligence And Graphy Theory To Cyberbullying, Jesse D. Simpson Aug 2020

Applications Of Artificial Intelligence And Graphy Theory To Cyberbullying, Jesse D. Simpson

MSU Graduate Theses

Cyberbullying is an ongoing and devastating issue in today's online social media. Abusive users engage in cyber-harassment by utilizing social media to send posts, private messages, tweets, or pictures to innocent social media users. Detecting and preventing cases of cyberbullying is crucial. In this work, I analyze multiple machine learning, deep learning, and graph analysis algorithms and explore their applicability and performance in pursuit of a robust system for detecting cyberbullying. First, I evaluate the performance of the machine learning algorithms Support Vector Machine, Naïve Bayes, Random Forest, Decision Tree, and Logistic Regression. This yielded positive results and obtained upwards …