Data Science Commons^™

Machine Learning For Predictive Energy And Emissions Modeling Of Vehicles And Power Grids In The United States, S M Tanvir Faysal Alam Chowdhoury

Dissertations

The environmental benefits of electric vehicle (EV) adoption depend on more than replacing internal combustion engine vehicles with electric powertrains. EV adoption reshapes electricity demand, interacts with regional generation mixes, and influences travel behavior and congestion, creating a coupled transportation-energy system in which vehicle and power-plant emissions must be evaluated together. This dissertation develops machine-learning frameworks for predicting energy consumption and emissions from vehicles and power grids under rising EV adoption. The first component forecasts grid emissions from EV charging. Using simulation data from NREL's Cambium database, a Prophet-based time-series framework predicts carbon dioxide, nitrous oxide, and methane emission rates …

A Generative Ai-Driven Computational Framework For Industry-Scale Discovery Of Novel Battery Materials, Joy Datta

Dissertations

The growing demand for sustainable, high-energy-density electrochemical storage has motivated the exploration of multivalent-ion batteries based on earth-abundant elements such as aluminum, calcium, magnesium, and zinc. While multivalent charge carriers offer higher theoretical energy density than lithium, their practical deployment is hindered by sluggish ion transport, strong ion-host interactions, and structural degradation of electrode materials. Identifying host materials that can reversibly accommodate multivalent ions while maintaining structural integrity remains a fundamental challenge. The dissertation develops a scalable, end-to-end computational framework that integrates density functional theory (DFT), machine learning (ML), and generative artificial intelligence (GenAI) to accelerate the discovery of next-generation …

Toward Learning-Based Reconstruction And Part Decomposition Of Man-Made 3d Geometry: Neural Implicit Representations And Scalable Supervision, Shen Fan

Dissertations

Digital three-dimensional (3D) models are central to engineering design, analysis, and manufacturing, but learning pipelines for man-made geometry often operate on sampled carriers that do not preserve all of the structure present in exact CAD representations. This dissertation studies learning-based reconstruction and part decomposition for structured man-made 3D geometry, from general object benchmarks to CAD-derived datasets, with a focus on neural implicit representations trained from signed-distance samples, point clouds, and tessellated meshes. The goal is to make these models more accurate, more part-aware, and more consistently supervised.

First, signed distance function (SDF) reconstruction with implicit neural representations is improved through …

Semi-Supervised Learning For Annotation And Representation Of Single-Cell Rna Sequencing And Spatial Transcriptomics Data, Haoran Liu

Dissertations

Semi-supervised learning has emerged as a powerful paradigm for analyzing single-cell RNA sequencing (scRNA-seq) and spatial transcriptomics (ST) data, where full annotation is often costly or impractical. scRNA-seq technologies measure the expression of thousands of genes across tens of thousands of cells, whereas ST additionally captures the spatial coordinates of gene expression within intact tissue sections. Annotation is a key step in both scRNA-seq and ST analysis pipelines, aiming to identify cell types, spatial domains, and latent biological structures. However, most existing annotation approaches rely on separate clustering methods that are typically fully unsupervised and fail to leverage side information …

Beyond Words: A Systematic Multimodal Framework For Text, Images, And Extreme Helpfulness In Online Reviews, Alvaro J. Aguado Marin

Dissertations

Online product reviews have become increasingly multimodal, combining text with media-rich elements such as images. However, academic research has largely examined textual features in isolation, overlooking how visual content and its interaction with text shape perceived helpfulness. This dissertation addresses that gap by developing and empirically validating a comprehensive framework capturing how textual, visual, and contextual features collectively influence review evaluation. Grounded in the Elaboration Likelihood Model (ELM) and extended through the Text-Image Elaboration Likelihood Model (TI-ELM), the framework advances understanding of how consumers process content from both user- and business-generated sources. It also lays the foundation for examining emerging …

Privacy Preserving-Based Artificial Intelligence For Precision Agriculture, Partha P. Sengupta

Dissertations

The research work finds a solution to precision agriculture of cotton cultivation using artificial intelligence (AI) models. Two sets of model performance based on the application are selected namely a low resource and a high resource setting. This is because using drone surveys to capture images identifying the classes of stressed and unstressed cotton plantation requires limited model architecture and CPU based computation. Thus, traditional AI models were selected for low resource settings. Again, for high computation intensive models like transfer learning-convolution neural network (CNN) based architectures were grouped into high resource settings. There was another issue of class imbalance …

Harnessing Graphs For Knowledge Representation In Natural Language Processing, Uras Varolgunes

Dissertations

This work proposes innovative methods for integrating domain-specific knowledge into natural language processing tasks through the use of graphs, aiming to enhance the performance of models across various domains, including finance and healthcare. Several novel approaches are proposed that fuse graph structures with modern deep learning techniques, addressing the challenges of missing word embeddings, label prediction, and graph representation learning for large language models.

First, a powerful embedding method built on top of the recent advances in latent graph learning is introduced to address the critical problem of word embedding imputation. Second, a graph-enhanced label attention model designed for medical …

Machine Learning And Optimization For Intelligent Decision-Making, Elson Cibaku

Dissertations

This dissertation presents a series of innovative machine learning and optimization model designs that address complex operational challenges across logistics and power systems. By integrating advanced neural architectures with robust optimization techniques, the work delivers scalable solutions designed to improve efficiency, reliability, and decision-making in dynamic and real-world environments. The first study introduces a two-stage approach to effective vaccine distribution. This framework tackles the capacitated vehicle routing problem by combining adaptive clustering techniques with reinforcement learning and a simulated annealing pickup policy. Through extensive computational experiments, the approach demonstrates substantial improvements in routing efficiency, reducing both computational time and logistical …

Towards Explainable Ai On Graph Neural Networks: Xaig, Jiaxing Zhang

Dissertations

In the evolving landscape of artificial intelligence (AI), Graph Neural Networks (GNNs) have garnered growing prominence for their adeptness in processing graph-structured data. Despite this, the interpretability of their predictions often remains elusive. The demand for transparency and explainability in complex prediction models has reached unprecedented levels. To address this, post-hoc instance-level explanation techniques have emerged, aiming to unveil the rationale behind GNN predictions. These techniques endeavor to unearth substructures that elucidate the predictive behavior of trained GNNs.

This dissertation embarks on an exploration of Explainable AI (XAI) technologies within the realm of GNNs. Amid the challenges posed by the …

Interactive Visualization Workflows For Mitigating Analytical Uncertainty, Kaustav Bhattacharjee

Dissertations

This dissertation takes a process-centric and stakeholder-first perspective for handling analytical uncertainty: the form of uncertainty that confronts data analysts' insight-generation processes in high-consequence decision-making scenarios. The cost of an incorrect decision when data is used for movie recommendations as opposed to when personal data is used to drive insights or when data-driven modeling is used to drive real-time decisions for maintaining the health of a grid are vastly different in terms of consequences. This dissertation looks at analytical uncertainty in two real-world scenarios: i) how sensitive information leakage can be prevented during the open data release process with data …

Visual Analytic Techniques For Interpretable Algorithmic Ranking Systems, Jun Yuan

Dissertations

Rankings have a profound impact on the increasingly data-driven society. From leisurely activities like the movies to watch, the restaurants to patronize; to highly consequential decisions, like making educational and occupational choices or getting hired by companies— these are all driven by sophisticated yet mostly opaque algorithmic rankers. A small change in how these rankers order the data items can have profound consequences, like deterioration of the prestige of a university or a job applicant missing out on being on the list of the top candidates for an organization. These scenarios necessitate data-driven and human-centered innovation to make rankers accessible, …

Data Driven Decision Making For Sustainable Planning And Operations Of Large Scale Networks, Bahareh Kargar

Dissertations

This dissertation explores data-driven decision-making networks, focusing on sustainable planning and operations for large-scale systems such as healthcare supply chains and power systems. One significant application in healthcare is the optimization of vaccine supply chains. An agent-based simulation-optimization modeling framework is developed to enhance the efficiency and sustainability of vaccine distribution. First, an agent-based epidemiological model of COVID-19 is extended to capture disease transmission dynamics and forecast the number of susceptible individuals and infections. Then, a sustainable vaccine supply chain considering the impacts of greenhouse gases is developed and integrated with the simulation model to minimize total costs and environmental …

A Methodological Framework For Ontology Development, Enrichment, And Application In Natural Language Processing Tasks, Navya Martin Kollapally

Dissertations

Electronic Health Records (EHRs) have been widely used in healthcare to record demographics, vital signs, test results, immunizations, medical imaging reports, differential diagnoses, etc. It is now accepted that non-clinical (e.g., social) factors have a substantial influence on health outcomes. Hence, it is desirable to record these Social and Commercial Determinants of Health (SDoH & CDoH) in an EHR. The "non-text parts" of EHR notes (e.g., data tables) rely on coded terms from underlying ontologies or terminologies to facilitate semantic interoperability. Ontologies help define concepts, the relationships between them, and instances that can be utilized in research.

The first accomplishment …

Machine Learning-Based Design Of Doppler Tolerant Radar, Kyle Peter Wensell

Dissertations

In this work, machine learning theory is applied to the design of a radar detector in order to train a machine learning-based detector that is robust against Doppler shifts. The radar system is designed to work with data that would be otherwise intractable to conventional optimal detector design, such as transmitted noise waveforms and the effects of one-bit quantization at the receiver. The detection performance of the one-bit receiver is shown to match the performance of the derived square-law sign correlator detector. The resulting learning-based detector also introduces Doppler tolerance to the system, which allows for the successful detection of …

Financial Time Series Fusion, Completion, And Prediction With Deep Neural Networks, Dan Zhou

Dissertations

Time-series analysis is essential for a wide range of financial applications, including but not limited to bond valuation, firm earnings forecasts, firm fundamentals predictions, and firm characteristics imputations. Given its considerable value, the financial community has shown a strong interest in refining and advancing time-series analysis techniques. The study in this dissertation contributes to this field by employing advanced machine learning approaches, specifically graph neural networks, deep neural networks, and matrix/tensor methods. The primary objectives are twofold: first, to reveal complex correlations within financial time series to improve prediction accuracy, and second, to enhance the process of integrating and imputing …

A Holistic And Collaborative Behavioral Health Detection Framework Using Sensitive Police Narratives, Martin Keagan Wynne Brown

Dissertations

Identifying behavioral health is paramount for law enforcement officers to provide appropriate follow-up community care. In the current practice, law enforcement offices manually identify these behavioral health cases to allow the designation of the relevant follow-up resources. Police reports generated by officers' response to 911 calls remain an untapped resource for identifying such incidents. Therefore, we advocate for the incorporation of manual annotations from experts, natural language processing (NLP), active learning, advanced machine learning, and ensemble techniques to detect behavioral health cases within police reports. In this dissertation, we develop tools and frameworks to automatically detect behavioral health cases from …

Multi-Modality Transformer For E-Commerce: Inferring User Purchase Intention To Bridge The Query-Product Gap, Srivatsa Mallapragada

Dissertations

The rapid growth of e-commerce has necessitated the development of sophisticated product retrieval systems that can effectively match user queries with relevant products. However, the semantic gap between queries and products remains a significant challenge, as traditional retrieval methods often fail to capture the nuances of user purchase intentions. E-commerce click-stream data and product catalogs offer critical user behavior insights and product knowledge that are untapped in the current product search algorithms. This dissertation presents learning strategies that leverage the query-product transaction logs to enrich the pipeline of our proposed multi-modal transformer model, which transforms initial user queries into pseudo …

How Can A Cloud Computing It Framework Be Created And Applied Effectively In The Online Printing Industry?, Stefan Meissner

Dissertations

This research aims to design a cloud computing IT framework for the online printing industry based on a detailed literature review, the development of proof of concepts (PoC), and the conduction of a focus group. The framework can be adopted by the online printing industry or by vendors of print-specific applications to optimize their products for the online printing industry. The author has been working in the online printing process optimization and automation since 2007. During this time, he got deep insight into many industry-specific applications, their architectural design, and their challenges being used in the context of online printing. …

Making Data Meaningful: Stakeholder Perceptions On Data Visualization And Data Management Practices Within A Multi-Tiered System Of Supports (Mtss), Domenick Saia

Dissertations

Data-driven decision-making and collaboration are core pillars of a multi-tiered system of supports (MTSS); however, timely and accessible data use, as well as data literacy and visualization literacy skills, are challenges school leaders and educators face related to implementing such frameworks. I hypothesized efficient data management systems and data visualization tools enable school teams to predict student learning outcomes, readily communicate, and better understand student data. The purpose of this study design was to highlight a need for more efficient data structures that allow school stakeholders to balance their roles within an MTSS framework more effectively. The context of this …

Human-Ai Complex Task Planning, Sepideh Nikookar

Dissertations

The process of complex task planning is ubiquitous and arises in a variety of compelling applications. A few leading examples include designing a personalized course plan or trip plan, designing music playlists/work sessions in web applications, or even planning routes of naval assets to collaboratively discover an unknown destination. For all of these aforementioned applications, creating a plan requires satisfying a basic construct, i.e., composing a sequence of sub-tasks (or items) that optimizes several criteria and satisfies constraints. For instance, in course planning, sub-tasks or items are core and elective courses, and degree requirements capture their complex dependencies as constraints. …

Data-Driven 2d Materials Discovery For Next-Generation Electronics, Zeyu Zhang

Dissertations

The development of material discovery and design has lasted centuries in human history. After the concept of modern chemistry and material science was established, the strategy of material discovery relies on the experiments. Such a strategy becomes expensive and time-consuming with the increasing number of materials nowadays. Therefore, a novel strategy that is faster and more comprehensive is urgently needed. In this dissertation, an experiment-guided material discovery strategy is developed and explained using metal-organic frameworks (MOFs) as instances. The advent of 7r-stacked layered MOFs, which offer electrical conductivity on top of permanent porosity and high surface area, opened up new …

On Explainability Of Neural Networks, Cem Benar

Dissertations

It is widely reported that deep neural networks outperform most competitors for a range of applications. The state-of-the-art neural networks have built-in inductive bias of architectural choices, regularizations, optimizer types, and initialization methods. Using inductive bias is intuitive to enhance the model approximation. Deep neural networks are mostly dense and heavily overparameterized. They tend to be biased towards low-rank solutions to reduce complexity and improve generalization performance, known as implicit regularization. The implicit regularization as observed in specific architectures and various real-world data sets suggests to overparameterize neural networks judiciously and learn compressed representations (lower rank approximation) with improved performance. …

Missing Value Imputation For Single Omics And Multi-Omics Data, Meng Song

Dissertations

The integration analyses of multi-omics data have the advantages of extending our understanding of biological system across multiple omics layers, unraveling the functional mechanism of complex disease development, and refining the discovery of novel drug targets. However, multi-omics studies often face challenges such as data heterogeneity, missing values problem, interpretability, and imbalance classes. Among these challenges, the missing values problem is a critical issue for large cohort studies as not all samples will get a complete measurement for all the omics layers. To address the problem of missing values in multi-omics data, I focused on the imputation of completely missing …

Topological Data Analysis Of Convolutional Neural Networks Using Depthwise Separable Convolutions, Eliot Courtois

Dissertations

In this dissertation, we present our contribution to a growing body of work combining the fields of Topological Data Analysis (TDA) and machine learning. The object of our analysis is the Convolutional Neural Network, or CNN, a predictive model with a large number of parameters organized using a grid-like geometry. This geometry is engineered to resemble patches of pixels in an image, and thus CNNs are a conventional choice for an image-classifying model.

CNNs belong to a larger class of neural network models, which, starting at a random initialization state, undergo a gradual fitting (or training) process, often a …

Trustworthy Machine Learning Through The Lens Of Privacy And Security, Thi Kim Phung Lai

Dissertations

Nowadays, machine learning (ML) becomes ubiquitous and it is transforming society. However, there are still many incidents caused by ML-based systems when ML is deployed in real-world scenarios. Therefore, to allow wide adoption of ML in the real world, especially in critical applications such as healthcare, finance, etc., it is crucial to develop ML models that are not only accurate but also trustworthy (e.g., explainable, privacy-preserving, secure, and robust). Achieving trustworthy ML with different machine learning paradigms (e.g., deep learning, centralized learning, federated learning, etc.), and application domains (e.g., computer vision, natural language, human study, malware systems, etc.) is challenging, …

Ai Approaches To Understand Human Deceptions, Perceptions, And Perspectives In Social Media, Chih-Yuan Li

Dissertations

Social media platforms have created virtual space for sharing user generated information, connecting, and interacting among users. However, there are research and societal challenges: 1) The users are generating and sharing the disinformation 2) It is difficult to understand citizens' perceptions or opinions expressed on wide variety of topics; and 3) There are overloaded information and echo chamber problems without overall understanding of the different perspectives taken by different people or groups.

This dissertation addresses these three research challenges with advanced AI and Machine Learning approaches. To address the fake news, as deceptions on the facts, this dissertation presents Machine …

Deep Hybrid Modeling Of Neuronal Dynamics Using Generative Adversarial Networks, Soheil Saghafi

Dissertations

Mechanistic modeling and machine learning methods are powerful techniques for approximating biological systems and making accurate predictions from data. However, when used in isolation these approaches suffer from distinct shortcomings: model and parameter uncertainty limit mechanistic modeling, whereas machine learning methods disregard the underlying biophysical mechanisms. This dissertation constructs Deep Hybrid Models that address these shortcomings by combining deep learning with mechanistic modeling. In particular, this dissertation uses Generative Adversarial Networks (GANs) to provide an inverse mapping of data to mechanistic models and identifies the distributions of mechanistic model parameters coherent to the data.

Chapter 1 provides background information on …

Special Education: Inclusion And Exclusion In The K-12 U.S. Educational System, Erik Brault

Dissertations

The U.S. Department of Education defines students with disabilities as those having a physical or mental impairment that substantially limits one or more life activities. Previous research has found that students with disabilities placed in inclusive environments perform better academically and socially compared to students with disabilities who are placed in segregated environments. Yet, we know that inclusion in K-12 general education classrooms across the country is not consistently implemented.

The purpose of this study was to better understand the effects, if any, of general education high school teachers’ personal and professional experiences and knowledge on their attitudes toward educating …

Utilizing New Technologies To Measure Therapy Effectiveness For Mental And Physical Health, Jonathan Ossie

Dissertations

Mental health is quickly becoming a major policy concern, with recent data reporting increasing and disproportionately worse mental health outcomes, including anxiety, depression, increased substance abuse, and elevated suicidal ideation. One specific population that is especially high risk for these issues is the military community because military conflict, deployment stressors, and combat exposure contribute to the risk of mental health problems.

Although several pharmacological approaches have been employed to combat this epidemic, their efficacy is mixed at best, which has led to novel nonpharmacological approaches. One such approach is Operation Surf, a nonprofit that provides nature-based programs advocating the restorative …

Topological Data Analysis Of Weight Spaces In Convolutional Neural Networks, Adam Wagenknecht

Dissertations

Convolutional Neural Networks (CNNs) have become one of the most commonly used tools for performing image classification. Unfortunately, as with most machine learning algorithms, CNNs suffer from a lack of interpretability. CNNs are trained by using a training data set and a loss function to tune a set of parameters known as the layer weights. This tuning process is based on the classical method of gradient descent, but it relies on a strong stochastic component, which makes the weight behavior during training difficult to understand. However, since CNNs are governed largely by the weights that make up each of the …