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This collection contains theses and dissertations of graduate students of the University of Alberta. The collection contains a very large number of theses electronically available that were granted from 1947 to 2009, 90% of theses granted from 2009-2014, and 100% of theses granted from April 2014 to the present (as long as the theses are not under temporary embargo by agreement with the Faculty of Graduate and Postdoctoral Studies). IMPORTANT NOTE: To conduct a comprehensive search of all UofA theses granted and in University of Alberta Libraries collections, search the library catalogue at www.library.ualberta.ca - you may search by Author, Title, Keyword, or search by Department.
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Results for "Probability Distributions on a Circle"

Subject: Machine Learning Departments: Department of Chemical and Materials Engineering

  • Machine Learning Enabled Prediction of Solvent-Based Reaction Energetics

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    Spring 2024

    Mao, Yiren

    locations. A binary relevance 3D CNN-LSTM autoencoder, employing different loss functions, showed marginal improvement but struggled to predict probability locations over a large horizon. Models trained on principal component analysis (PCA)-transformed and dynamic PCA (DPCA)-transformed data showed promise

    in training but failed in testing. Models trained on PDFs without "dead voxels" (zero probability voxels independent of time) and atomic Cartesian coordinates perform well during training but encounter challenges in testing due to teacher forcing. Teacher forcing is a training method that can

    . This work focuses on the development of machine learning (ML) models as proxy models for Car-Parrinello molecular dynamics (CPMD) metadynamics simulations in condensed-phase biomass reactions. Explicit solvation CPMD metadynamics simulation data of HMF undergoing protonation in a solution of dimethyl

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