Numerical Analysis and Scientific Computing Commons^™

Toward Interpretable Multi-Omics Multimodal Biomedical Artificial Intelligence, Yanjun Lyu

Computer Science and Engineering Dissertations

The complexity of human disease arises from biological processes that unfold across multiple scales, from molecular variation through cellular function, tissue organisation, brain phenotypes, each of which is associated with distinct measurement modalities, regularities, and characteristic. Contemporary biomedical artificial intelligence has brought the opportunity to reveal the complexity with in; however, its methodological default, in which models are trained on most readily available modality, does not adequately engage with the multi-scale connected structure by which biological meaning is constituted. The research area of multi-omics and multi-modal AI for biomedicine remains at an early exploratory stage, and the work presented in …

Geovig And Purevig: Geometry-Aware Architectures For Efficient Computer Vision, Omar Ismail

Theses and Dissertations (Comprehensive)

Deploying deep learning models for medical image analysis on mobile devices requires a balance between inference latency, memory footprint, and delineating anatomical boundaries with high accuracy. While Convolutional Neural Networks (CNNs) and mobile Vision Transformers (ViTs) offer efficiency, they often struggle to model the irregular, non-local geometric structures inherent in biological tissues without incurring prohibitive computational costs. In this thesis, we introduce GeoViG (Geometric Vision Graph), an architecture that bridges the gap between efficient grid-based processing and explicit Geometric Deep Learning. GeoViG introduces a novel transition from high-resolution pixel grids to low-resolution dynamic graphs via a SpreadEdgePool operator, a geometry-aware …

Intelligent Electric Vehicle Routing For Goods Delivery Under Real-Time Traffic Conditions: A Comparative Framework For Modular Battery Swapping And Dynamic Wireless Charging, Ranjit Jakharabhai Odedra

Theses and Dissertations (Comprehensive)

Electric vehicles (EVs) are becoming central to sustainable and intelligent transportation systems, particularly in urban logistics, where reducing emissions, congestion, and operating inefficiencies is increasingly important. Despite their environmental advantages, the large-scale deployment of EVs in delivery operations remains constrained by limited driving range, time-consuming energy replenishment, and the difficulty of making routing decisions under dynamic traffic and load-dependent energy consumption. Addressing these challenges is essential for improving the practicality and reliability of EV-based freight transportation.

This thesis investigates optimization frameworks for EV routing in urban delivery systems by studying two complementary energy replenishment strategies: modular battery segment swapping and …

Evaluating Hybrid Quantum-Classical Models For Image Classification In The Nisq Era, Utku Binkanat

Theses and Dissertations

This thesis presents a systematic empirical evaluation of quantum machine learning performance under noisy intermediate-scale quantum (NISQ) era constraints. Through 670 controlled experiments, it evaluated quantum kernel support vector machines and variational quantum classifiers against classical baselines on MNIST binary and multiclass classification tasks with systematic variation of problem difficulty, feature dimensionality (4, 8 qubits), and training set size (n ∈{100, 250, 400, 500, 2000, 4000}). Statistical rigor was ensured through five random seeds per condition and comprehensive significance testing. During the testing with binary datasets, classical methods (SVM, logistic regression, k-NN, neural networks) achieved 85.9% to 99.6% accuracy with …

Toward Efficient And Scalable Scientific Data Management Through Quality-Oriented Data Compression, Pu Jiao

Theses and Dissertations--Computer Science

Scientific simulations and instruments now produce data at rates that overwhelm the storage, memory, and network subsystems of modern high-performance computing (HPC) facilities. Error-bounded lossy compression reduces data movement costs while bounding reconstruction error, yet three barriers limit its adoption in mission-critical workflows: existing compressors cannot guarantee the accuracy of domain-specific quantities of interest (QoIs) derived from compressed data; compression-induced artifacts such as posterization, blocking, and interpolation banding erode user confidence in decompressed fields; and significant compressibility in the quantization index arrays of interpolation-based pipelines remains unexploited. This dissertation addresses all three barriers through four contributions, with the artifact barrier …

Utilizing Computer Modeling To Optimize Electric Fields Within Xenon Time Projection Chambers, Miles Meloni

Honors Theses

XENONnT is a physics experiment designed with the goal of detecting dark matter particles. The detector is a time projection chamber; a series of charged electrodes creates an electric field, surrounding a central body filled with liquid and gaseous xenon. Photomultiplier tubes (PMTs), positioned on either end of the chamber, serve to detect light signals. We seek to minimize the root mean square of the electric field norms experienced by the PMTs. This quantity corresponds to the variance in the electric field observed by the PMTs. Establishing a consistent electric field is important to maintaining these sensitive components. The electric …

A 1d Symmetric Interior Penalty Discontinuous Galerkin Solver In Rust, William Aey

Williams Honors College, Honors Research Projects

This honors project will build a 1D Symmetric Interior Discontinuous Galerkin (SIPDG) solver in Rust for Stum-Liouville type problems such as the Poisson equation, with Robin, Dirichlet, and Neumann boundary conditions. The work will cover the full pipeline: starting from the strong form of the PDE, deriving the DG weak form, implementing element and interface operators, and assembling or apply the discrete operator. Rust's safety and concurrency (e.g, via Rayon) will be used to explore serial and parallel performance. A test-driven development approach will be used to maintain a strong suite of tests. The project will result in a documented …

Multi-Timescale Monitoring And Modeling For Resilient Smart Grids: Pmu Anomaly Detection And Battery Digital Twins, Muhammad Imran Hossain

Graduate Theses, Dissertations, and Problem Reports (ETD)

Modern power systems face failures at very different timescales. Cyber-physical disturbances may emerge within seconds, while battery degradation develops over hundreds of operating cycles. Both monitoring problems share the same underlying difficulty: power systems produce measurement data in abundance, but reliably labeled examples of abnormal or degraded operation are scarce. Rare grid events are difficult to label, and battery degradation data are heterogeneous across cells, cycling protocols, and chemistries. This thesis addresses these challenges through two complementary domain-informed learning frameworks that constrain representation learning using information specific to each physical problem.

First, at the system level, T-BiGAN, a Transformer-augmented bidirectional …

Decentralized Linear Solvers: Communication Cost And Privacy, Nelson G. Brasil, Vinay A. Vaishampayan

Publications and Research

We consider the problem of multiple parties iteratively solving a system of linear equations in a decentralized manner. Specifically, we solve for $\negr{x} \in \R^n$, the $n \times n$ system of linear equations $M\negr{x} = \negr{b}$ when each party only knows their row of the matrix $M$ and a single component of $\negr{b} \in \R^n$. Our objective is to determine the tradeoff between the accuracy of the solution and the total communication cost measured in bits. A fully connected, reliable mesh network is assumed to connect the different parties. We develop a general formulation that applies to a large class …

Swimming In Uncertainty: Filling Data Gaps And Providing An Educational Platform For Beach Water Quality At Tybee Island, Georgia, Lukas Roberson

College of Graduate Studies: Theses & Dissertations

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Swimming in beaches water contaminated with high levels of bacteria can make you sick. Current monitoring at the public beaches on Tybee Island consists of weekly monitoring and enumeration of fecal indicator bacteria that takes 24 hours for results. If the number of bacteria exceed regulatory limits, a public health advisory is issued, and affected waters are retested until …

Basis Design For Electronic Structure And Beyond, Weishi Wang

Dartmouth College Ph.D Dissertations

At the intersection of quantum physics, quantum chemistry, and materials science, electronic structure is the study of electrons in solid-state and molecular systems. Electronic-structure computation relies on discretizing the many-electron Hamiltonian with a finite single-particle basis set. However, basis-set construction is conventionally treated as an ad hoc preprocessing step. This thesis develops an expressive and flexible framework for active, system-oriented basis-set design and numerical modeling strategies that treat basis functions as tunable representations to encode electronic ground-state information.

We first introduce a multi-layered, differentiable basis-construction framework that embeds a set of primitive parameters into mixed-contracted Gaussian-type orbitals. We then develop …

Machine Learning For Recession Prediction, Ethan Reusser

Williams Honors College, Honors Research Projects

Macroeconomic predictions present challenges in machine learning due to the rarity of economic recessions, the constantly-changing matter of global markets, and severe class imbalance in historical data. This project focuses on predicting the onset of United States economic recessions within a 12-month window using Python and Jupyter Notebook. A machine learning pipeline was developed utilizing multiple models: Logistic Regression, Random Forest, XGBoost, and Long Short-Term Memory (LSTM) neural networks. For class imbalance, the Synthetic Minority Over-sampling Technique (SMOTE) was applied strictly to training data, paired with Platt scaling for calibration on thresholds. The resulting models were evaluated in the 2005 …

Data Defines Success: Algorithm For Dataset Quality Assessment In Deep Learning For Malware Detection, Matei Ionescu

Theses and Dissertations

The field of artificial intelligence is based upon the premise of constructing architectures through which to propagate training data. However, the majority of existing research literature is focused on architecture. While necessary, the attention devoted to the architecture should not so precipitously exceed that of the data. It should be noted that this disparity is not without reasonable cause. Data quality is often exceedingly difficult to verify due to particularities of the field or subfield; LLM repositories of text are distinct from image recognition pictures of dog breeds which are distinct from EEG waveforms of human brains which are distinct …

Performance Of Numerical Methods Applied To The Black–Scholes Model, Scott Cameron Williams

UNF Graduate Theses and Dissertations

We compare five numerical approaches for approximating solutions to the Black–Scholes partial differential equation for pricing European call options: FTCS, BTCS, Crank– Nicolson, Monte Carlo simulation, and a physics–informed neural network (PINN). These methods span finite difference techniques, probabilistic simulation, and machine learning. Performance is evaluated based on computational efficiency and accuracy relative to the analytical Black–Scholes solution.

Among the methods, Crank–Nicolson and the PINN demonstrated the strongest overall performance. Crank–Nicolson achieved the highest accuracy but exhibited increased runtime as the number of underlying stock price grid points grew. In contrast, the PINN produced slightly less accurate results but with …

A General Algorithm For Assortment Optimization Under Random Utility Choice Models, Tien Mai, Andrea Lodi

Research Collection School Of Computing and Information Systems

This work concerns the assortment optimization problem that refers to selecting a subset of items that maximizes the expected revenue in the presence of the substitution behavior of consumers specified by a random utility choice model. The key challenge lies in the computational difficulty of finding the best subset solution, which often requires exhaustive search. The literature on constrained assortment optimization lacks a practically efficient method that is general to deal with different types of customer choice models (e.g., the multinomial logit, mixed logit or general multivariate extreme value models). In this work, we propose a new approach that allows …

Learning-Based Graph Shrinking For Quantum Optimization Of Constrained Combinatorial Problems, Monit Sharma, Hoong Chuin Lau

Research Collection School Of Computing and Information Systems

Graph shrinking has recently emerged as a powerful preprocessing technique for hybrid classical–quantum optimization, enabling variable and constraint reduction before quantum solving. Conventional approaches rely on Semi-Definite Programming (SDP) relaxations to compute vertex correlations, but these methods suffer from high computational overhead, instance-specific tuning, and limited generalizability. In this work, we replace the handcrafted SDP correlation stage with a reinforcement learning (RL) based correlation estimator, trained to predict merge quality directly from graph structure. We reformulate the graph shrinking process as a Markov Decision Process (MDP), design a Graph Neural Network (GNN) policy to guide vertex merging, and integrate the …

Hybrid Learning And Optimization Methods For Solving Capacitated Vehicle Routing Problem, Monit Sharma, Hoong Chuin Lau

Research Collection School Of Computing and Information Systems

We propose a hybrid quantum–classical framework for the Capacitated Vehicle Routing Problem (CVRP) that integrates the Augmented Lagrangian Method (ALM) with deep reinforcement learning (RL). Directly solving CVRP via Variational Quantum Eigensolver (VQE) requires a slack-based QUBO formulation, where converting inequalities to equalities greatly increases the qubit count. To circumvent this, we employ an ALM-based reformulation that enforces constraints through Lagrange terms instead of slack variables, drastically reducing quantum resource demands. An RL agent, trained with Soft Actor–Critic, adaptively tunes the Lagrange penalties to improve convergence and feasibility. Experiments show that RL-Q-ALM outperforms static-penalty and plain VQE baselines in both …

Dynamic Characteristic Simulation And Optimization Of Ground Test System For Airborne Launch Rack, Yuguang Bai, Sheng Zhang, Yushun Cao, Xiaoshi Zhang, Hu Huang

Journal of System Simulation

Abstract: To solve the ground equivalent test problem of the airborne launch system, an optimization method for the dynamic characteristics of the ground launch rack test system based on a multi-variable optimization approach was proposed. Through the discussion on the boundary conditions of the foundation, an effective dynamic simulation model of the ground launch test system was established. By comparing the dynamic characteristics of the launch rack structure in the airborne state and the ground test state, the objectives and constraints of the optimization design were determined. The dynamic characteristics of the ground test system were optimized and designed. …

Scheduling Method For Virtual Power Plants Based On Analysis And Forecasting Of Heterogeneous Load Characteristics, Runzhao Zhang, Yanbo Chen, Tao Huang, Haoxin Tian, Tuben Qiang, Zhi Zhang

Journal of System Simulation

Abstract: To improve the electricity supply-demand situation by rationally utilizing demand response resources, a two-layer optimal scheduling model for virtual power plants (VPPs) based on the analysis and forecasting of heterogeneous load characteristics was proposed. With the differences in response characteristics of multi-type loads considered, a demand response model for multi-type loads was constructed by using a customer baseline load (CBL) curve forecasting method that integrated dynamic scenario generation and K-means++ clustering. A two-layer optimal scheduling model for VPPs that incorporated load aggregators and demand response was established. In this model, the upper layer conducted optimal scheduling targeting maximizing the …

Spatiotemporal Graph Convolution-Based Demand Forecasting And Simulation Analysis For Automotive Parts Supply Chain, Xiaobin Li, Bing Hu, Chao Yin, Bo Li, Jun Ma

Journal of System Simulation

Abstract: To address complex automotive after-sales parts supply network operations with insufficient demand forecasting accuracy, slow response, and low service efficiency, this study proposed a spatiotemporal graph convolution-based method for automotive parts supply chain demand forecasting. Sales network data of the automotive parts sales network was constructed as a heterogeneous graph, integrating node features like parts sales volume and value to build multi-dimensional node dependencies. A node update mechanism of the graph convolutional neural network was designed, combined with long short-term memory neural networks to capture temporal features, using spatiotemporal attention to integrate temporal and spatial features into updated nodes …