Physical Sciences and Mathematics Commons^™

Reliable And Interpretable Machine Learning For Modeling Physical And Cyber Systems, Daniel L. Marino Lizarazo

Theses and Dissertations

Over the past decade, Machine Learning (ML) research has predominantly focused on building extremely complex models in order to improve predictive performance. The idea was that performance can be improved by adding complexity to the models. This approach proved to be successful in creating models that can approximate highly complex relationships while taking advantage of large datasets. However, this approach led to extremely complex black-box models that lack reliability and are difficult to interpret. By lack of reliability, we specifically refer to the lack of consistent (unpredictable) behavior in situations outside the training data. Lack of interpretability refers to the …

Information Architecture For A Chemical Modeling Knowledge Graph, Adam R. Luxon

Theses and Dissertations

Machine learning models for chemical property predictions are high dimension design challenges spanning multiple disciplines. Free and open-source software libraries have streamlined the model implementation process, but the design complexity remains. In order better navigate and understand the machine learning design space, model information needs to be organized and contextualized. In this work, instances of chemical property models and their associated parameters were stored in a Neo4j property graph database. Machine learning model instances were created with permutations of dataset, learning algorithm, molecular featurization, data scaling, data splitting, hyperparameters, and hyperparameter optimization techniques. The resulting graph contains over 83,000 nodes …

Methods For Developing A Machine Learning Framework For Precise 3d Domain Boundary Prediction At Base-Level Resolution, Spiro C. Stilianoudakis

Theses and Dissertations

High-throughput chromosome conformation capture technology (Hi-C) has revealed extensive DNA looping and folding into discrete 3D domains. These include Topologically Associating Domains (TADs) and chromatin loops, the 3D domains critical for cellular processes like gene regulation and cell differentiation. The relatively low resolution of Hi-C data (regions of several kilobases in size) prevents precise mapping of domain boundaries by conventional TAD/loop-callers. However, high resolution genomic annotations associated with boundaries, such as CTCF and members of cohesin complex, suggest a computational approach for precise location of domain boundaries.

We developed preciseTAD, an optimized machine learning framework that leverages a random …

Learning From Multi-Class Imbalanced Big Data With Apache Spark, William C. Sleeman Iv

Theses and Dissertations

With data becoming a new form of currency, its analysis has become a top priority in both academia and industry, furthering advancements in high-performance computing and machine learning. However, these large, real-world datasets come with additional complications such as noise and class overlap. Problems are magnified when with multi-class data is presented, especially since many of the popular algorithms were originally designed for binary data. Another challenge arises when the number of examples are not evenly distributed across all classes in a dataset. This often causes classifiers to favor the majority class over the minority classes, leading to undesirable results …

Applied Machine Learning In Extrusion-Based Bioprinting, Shuyu Tian

Theses and Dissertations

Optimization of extrusion-based bioprinting (EBB) parameters have been systematically conducted through experimentation. However, the process is time and resource-intensive and not easily translatable across different laboratories. A machine learning (ML) approach to EBB parameter optimization can accelerate this process for laboratories across the field through training using data collected from published literature. In this work, regression-based and classification-based ML models were investigated for their abilities to predict printing outcomes of cell viability and filament diameter for cell-containing alginate and gelatin composite hydrogels. Regression-based models were investigated for their ability to predict suitable extrusion pressure given desired cell viability when keeping …