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Full-Text Articles in Physical Sciences and Mathematics

Performance Of 5 Prominent Large Language Models In Surgical Knowledge Evaluation: A Comparative Analysis, Adam M. Ostrovsky, Joshua R. Chen, Vishal N. Shah, Babak Abai Sep 2024

Performance Of 5 Prominent Large Language Models In Surgical Knowledge Evaluation: A Comparative Analysis, Adam M. Ostrovsky, Joshua R. Chen, Vishal N. Shah, Babak Abai

Department of Surgery Faculty Papers

No abstract provided.


Network Resilience Of Plant-Bee Interactions In The Eastern Afromontane Biodiversity Hotspot, Fairo F. Dzekashu, Abdullahi A. Yusuf, Kazuhiro Takemoto, Marcell K. Peters, H. Michael G. Lattorff, Ingolf Steffan-Dewenter, Christian W.W. Pirk Sep 2024

Network Resilience Of Plant-Bee Interactions In The Eastern Afromontane Biodiversity Hotspot, Fairo F. Dzekashu, Abdullahi A. Yusuf, Kazuhiro Takemoto, Marcell K. Peters, H. Michael G. Lattorff, Ingolf Steffan-Dewenter, Christian W.W. Pirk

All Peer-Reviewed Publications

Interaction network resilience can be defined as the ability of interacting organisms to maintain their functions, processes or populations after experiencing a disturbance. Studies on mutualistic interactions between plants and pollinators along environmental gradients are essential to understand the provision of ecosystem services and the mechanisms challenging their network resilience. However, it remains unknown to what level ecological changes along climatic gradients constrain the network resilience of mutualistic organisms, especially along elevation gradients. We surveyed bee species and recorded their interactions with plants throughout the four major seasons (i.e. long and short rainy, and long and short dry) on 50 …


Imaging Photoinduced Dynamics In Gas-Phase Molecules Using Ultrafast Electron And X-Ray Diffraction, Sri Bhavya Muvva Sep 2024

Imaging Photoinduced Dynamics In Gas-Phase Molecules Using Ultrafast Electron And X-Ray Diffraction, Sri Bhavya Muvva

Dissertations and Doctoral Documents, University of Nebraska-Lincoln, 2023–

Investigating the ultrafast structural changes in photoexcited molecules provides essential information on their governing reaction mechanisms and product formation. Time-resolved electron and X-ray diffraction are crucial techniques for capturing the structural information of photoexcited molecules on femtosecond timescales. This thesis presents the investigations of photochemical reactions in gas-phase molecules using ultrafast electron and X-ray diffraction experiments.

Photoexcitation of conjugated diene molecules with ultraviolet (UV) laser pulses can lead to different reaction mechanisms, depending on their double bonds’ positions and molecular rigidity. Chapter 2 of this dissertation discusses the femtosecond time-resolved UV-induced excited-state structural dynamics of cis,cis-1,3-cyclooctadiene, an eight-membered cyclic conjugated …


Asphalt-Binder Mixtures Evaluated By T1 Nmr Relaxometry, Rebecca M. Herndon, Jay Balasubramanian, Magdy Abdelrahman, Klaus Woelk Sep 2024

Asphalt-Binder Mixtures Evaluated By T1 Nmr Relaxometry, Rebecca M. Herndon, Jay Balasubramanian, Magdy Abdelrahman, Klaus Woelk

Civil, Architectural and Environmental Engineering Faculty Research & Creative Works

Asphalt pavements make up a majority of the essential transportation systems in the US. Asphalt mixtures age and degrade over time, reducing the pavement performance. Pavement performance critically depends on the aging of asphalt binder. The aging of asphalt binder during construction is traditionally modeled by rolling thin film oven (RTFO) testing, while aging during service life is modeled by pressure aging vessel (PAV) testing. Comparing these models to the aging of binders in actual pavements is limited because, to be used for current testing, binders must be separated from the pavement's aggregate by solvent extraction. Solvent extraction will, at …


Asphalt-Binder Mixtures Evaluated By T1 Nmr Relaxometry, Rebecca M. Herndon, Jay Balasubramanian, Magdy Abdelrahman, Klaus Woelk Sep 2024

Asphalt-Binder Mixtures Evaluated By T1 Nmr Relaxometry, Rebecca M. Herndon, Jay Balasubramanian, Magdy Abdelrahman, Klaus Woelk

Civil, Architectural and Environmental Engineering Faculty Research & Creative Works

Asphalt pavements make up a majority of the essential transportation systems in the US. Asphalt mixtures age and degrade over time, reducing the pavement performance. Pavement performance critically depends on the aging of asphalt binder. the aging of asphalt binder during construction is traditionally modeled by rolling thin film oven (RTFO) testing, while aging during service life is modeled by pressure aging vessel (PAV) testing. Comparing these models to the aging of binders in actual pavements is limited because, to be used for current testing, binders must be separated from the pavement's aggregate by solvent extraction. Solvent extraction will, at …


Nuclear Magnetic Resonance (Nmr) Assessment Of Bio And Crude Oil-Based Rejuvenation, Rebecca M. Herndon, Jay Balasubramanian, Magdy Abdelrahman, Klaus Woelk Sep 2024

Nuclear Magnetic Resonance (Nmr) Assessment Of Bio And Crude Oil-Based Rejuvenation, Rebecca M. Herndon, Jay Balasubramanian, Magdy Abdelrahman, Klaus Woelk

Civil, Architectural and Environmental Engineering Faculty Research & Creative Works

Asphalt binders in pavements lose their stability through aging and eventually fail in the field. Using nuclear magnetic resonance (NMR) to monitor the primary longitudinal relaxation time of asphalt samples and the ratio of material that carries this primary relaxation time has been shown to indicate the impact of ultraviolet (UV) radiation on the aging of asphalt pavements. Longitudinal NMR relaxation was used to investigate two types of proposed asphalt rejuvenators, a bio-oil-based rejuvenator and a crude-oil-based rejuvenator. Two different binders with the performance grades (PG) 64-22 and 76-22 were considered for their interactions with the rejuvenators. After 72 h …


Forgotten Topological Index And Its Properties On Neutrosophic Graphs, G. Vetrivel, M. Mullai, R. Buvaneshwari Sep 2024

Forgotten Topological Index And Its Properties On Neutrosophic Graphs, G. Vetrivel, M. Mullai, R. Buvaneshwari

Neutrosophic Systems with Applications

Topological indices play a significant role in crisp, fuzzy graphs and their real-life application. But to avoid the vagueness in the final result, these indices should be dealt with in the neutrosophic environment since it consolidates the uncertain quantity or values of an event in the name of "indeterminacy membership". Except for the wiener index, no other indices are introduced under the neutrosophic graphical setting. In this article, we consider the forgotten topological index (ToI) and the Edge forgotten index in the 3-valued logic neutrosophic graph and came up with some important theorem results and applications.


A Comparison Of Four Approaches To Modeling Information Insufficiency, Pengya Ai, Sonny Rosenthal Sep 2024

A Comparison Of Four Approaches To Modeling Information Insufficiency, Pengya Ai, Sonny Rosenthal

Research Collection College of Integrative Studies

Information insufficiency, or the disparity between the level of knowledge needed to confidently judge an issue and the perceived level of current knowledge, is a key motivator of risk information seeking and processing. This study compared 4 approaches to modeling information insufficiency within the planned risk information seeking model. These approaches included the raw difference score, regression approach, partial variance score, and direct measure. Statistical modeling used data from large samples in Singapore (n = 2,124) and the United States (n = 2,125). The results of ordinary least squares regression analysis and structural equation modeling pointed to several issues. First, …


Urban Heat And Within-City Residential Sorting, Stefan Borsky, Eric Fesselmeyer, Lennart Vogelsand Sep 2024

Urban Heat And Within-City Residential Sorting, Stefan Borsky, Eric Fesselmeyer, Lennart Vogelsand

Research Collection College of Integrative Studies

This study presents new causal evidence on how urban heat contributes to sorting within a city. We estimate a discrete choice residential sorting model that includes census-tract fixed effects and controls for open space and green coverage to analyze how differences in urban heat at the census-tract level influence the location choices of New York City homeowners given their race, ethnicity, and income. Our results show clear patterns of residential sorting, with whites and high-income households outcompeting other racial/ethnic groups and low-income households for housing in cooler neighborhoods. Our counterfactual exercise, inspired by Cool Neighborhoods NYC, reveals that heat-mitigation policies …


Evaluation Of Transplant Benefits With The Us Scientific Registry Of Transplant Recipients By Semiparametric Regression Of Mean Residual Life, Ge Zhao, Yanyuan Ma, Huazhen Lin, Yi Li Sep 2024

Evaluation Of Transplant Benefits With The Us Scientific Registry Of Transplant Recipients By Semiparametric Regression Of Mean Residual Life, Ge Zhao, Yanyuan Ma, Huazhen Lin, Yi Li

Mathematics and Statistics Faculty Publications and Presentations

Kidney transplantation is the most effective renal replacement therapy for end stage renal disease patients. With the severe shortage of kidney supplies and for the clinical effectiveness of transplantation, patient’s life expectancy posttransplantation is used to prioritize patients for transplantation; however, severe comorbidity conditions and old age are the most dominant factors that negatively impact posttransplantation life expectancy, effectively precluding sick or old patients from receiving transplants. It would be crucial to design objective measures to quantify the transplantation benefit by comparing the mean residual life with and without a transplant, after adjusting for comorbidity and demographic conditions. To address …


The Impact Of Data Recovery Criteria, Data Backup Schedule And Data Backup Prosses On The Efficiency Of Data Recovery Management In Data Centers, Maen T. Alrashdan, Mutaz Abdel Wahed, Emran Aljarrah, Mohammad Tubishat, Malek Alzaqebah, Nader Aljawarneh Sep 2024

The Impact Of Data Recovery Criteria, Data Backup Schedule And Data Backup Prosses On The Efficiency Of Data Recovery Management In Data Centers, Maen T. Alrashdan, Mutaz Abdel Wahed, Emran Aljarrah, Mohammad Tubishat, Malek Alzaqebah, Nader Aljawarneh

All Works

A large-scale cloud data center must have a low failure incidence rate and great service dependability and availability. However, due to several issues, such as hardware and software malfunctions that regularly cause task and job failure, large-scale cloud data centers still have high failure rates. These mistakes can have a substantial impact on cloud service dependability and need a large resource allocation to recover from failures. Therefore, it is important to have an efficient management of data recovery to protect organizations data from loss. This paper aims to study some factors that may improve the management of data recovery by …


A New Fractional Derivative Extending Classical Concepts: Theory And Applications, Mutaz Mohammad, Mohamed Saadaoui Sep 2024

A New Fractional Derivative Extending Classical Concepts: Theory And Applications, Mutaz Mohammad, Mohamed Saadaoui

All Works

In this paper, a novel general definition for the fractional derivative and fractional integral based on an undefined kernel function is introduced. For 0<α≤1, this definition aligns with classical interpretations and is applicable for calculating the derivative in an open negative interval I⊆[a,+∞),a∈R. Additionally, when α=1, the definition coincides with the classical derivative. Fundamental properties of the fractional integral and derivative, including the product rule, quotient rule, chain rule, Rolle's theorem, and the mean value theorem, are derived. These properties are illustrated through various applications to demonstrate their applicability. Furthermore, some applications of solving fractional nonlinear systems of integro-differential equations using framelets are presented.


Probing Effects Of Contextual Bias On Number Magnitude Estimation, Xuehao Du, Ping Ji, Wei Qin, Lei Wang, Yunshi Lan Sep 2024

Probing Effects Of Contextual Bias On Number Magnitude Estimation, Xuehao Du, Ping Ji, Wei Qin, Lei Wang, Yunshi Lan

Research Collection School Of Computing and Information Systems

The semantic understanding of numbers requires association with context. However, powerful neural networks overfit spurious correlations between context and numbers in training corpus can lead to the occurrence of contextual bias, which may affect the network's accurate estimation of number magnitude when making inferences in real-world data. To investigate the resilience of current methodologies against contextual bias, we introduce a novel out-of- distribution (OOD) numerical question-answering (QA) dataset that features specific correlations between context and numbers in the training data, which are not present in the OOD test data. We evaluate the robustness of different numerical encoding and decoding methods …


Efficient Cascaded Multiscale Adaptive Network For Image Restoration, Yichen Zhou, Pan Zhou, Teck Khim Ng Sep 2024

Efficient Cascaded Multiscale Adaptive Network For Image Restoration, Yichen Zhou, Pan Zhou, Teck Khim Ng

Research Collection School Of Computing and Information Systems

Image restoration, encompassing tasks such as deblurring, denoising, and super-resolution, remains a pivotal area in computer vision. However, efficiently addressing the spatially varying artifacts of various low-quality images with local adaptiveness and handling their degradations at different scales poses significant challenges. To efficiently tackle these issues, we propose the novel Efficient Cascaded Multiscale Adaptive (ECMA) Network. ECMA employs Local Adaptive Module, LAM, which dynamically adjusts convolution kernels across local image regions to efficiently handle varying artifacts. Thus, LAM addresses the local adaptiveness challenge more efficiently than costlier mechanisms like self-attention, due to its less computationally intensive convolutions. To construct a …


Quantum Relaxation For Solving Multiple Knapsack Problems, Monit Sharma, Jin Yan, Hoong Chuin Lau, Rudy Raymond Sep 2024

Quantum Relaxation For Solving Multiple Knapsack Problems, Monit Sharma, Jin Yan, Hoong Chuin Lau, Rudy Raymond

Research Collection School Of Computing and Information Systems

Combinatorial problems are a common challenge in business, requiring finding optimal solutions under specified constraints. While significant progress has been made with variational approaches such as QAOA, most problems addressed are unconstrained (such as Max-Cut). In this study, we investigate a hybrid quantum-classical method for constrained optimization problems, particularly those with knapsack constraints that occur frequently in financial and supply chain applications. Our proposed method relies firstly on relaxations to local quantum Hamiltonians, defined through commutative maps. Drawing inspiration from quantum random access code (QRAC) concepts, particularly Quantum Random Access Optimizer (QRAO), we explore QRAO's potential in solving large constrained …


Granular3d: Delving Into Multi-Granularity 3d Scene Graph Prediction, Kaixiang Huang, Jingru Yang, Jin Wang, Shengfeng He, Zhan Wang, Haiyan He, Qifeng Zhang, Guodong Lu Sep 2024

Granular3d: Delving Into Multi-Granularity 3d Scene Graph Prediction, Kaixiang Huang, Jingru Yang, Jin Wang, Shengfeng He, Zhan Wang, Haiyan He, Qifeng Zhang, Guodong Lu

Research Collection School Of Computing and Information Systems

This paper addresses the significant challenges in 3D Semantic Scene Graph (3DSSG) prediction, essential for understanding complex 3D environments. Traditional approaches, primarily using PointNet and Graph Convolutional Networks, struggle with effectively extracting multi-grained features from intricate 3D scenes, largely due to a focus on global scene processing and single-scale feature extraction. To overcome these limitations, we introduce Granular3D, a novel approach that shifts the focus towards multi-granularity analysis by predicting relation triplets from specific sub-scenes. One key is the Adaptive Instance Enveloping Method (AIEM), which establishes an approximate envelope structure around irregular instances, providing shape-adaptive local point cloud sampling, thereby …


Neuron Sensitivity Guided Test Case Selection, Dong Huang, Qingwen Bu, Yichao Fu, Yuhao Qing, Xiaofei Xie, Junjie Chen, Heming Cui Sep 2024

Neuron Sensitivity Guided Test Case Selection, Dong Huang, Qingwen Bu, Yichao Fu, Yuhao Qing, Xiaofei Xie, Junjie Chen, Heming Cui

Research Collection School Of Computing and Information Systems

Deep Neural Networks (DNNs) have been widely deployed in software to address various tasks (e.g., autonomous driving, medical diagnosis). However, they can also produce incorrect behaviors that result in financial losses and even threaten human safety. To reveal and repair incorrect behaviors in DNNs, developers often collect rich, unlabeled datasets from the natural world and label them to test DNN models. However, properly labeling a large number of datasets is a highly expensive and time-consuming task. To address the above-mentioned problem, we propose NSS, Neuron Sensitivity Guided Test Case Selection, which can reduce the labeling time by selecting valuable test …


Drying Techniques For Precooked Hybrid Rice To Ensure Quality Of Instantized Rice, Anne Adhiambo Okeyo, Kaushik Luthra, Justin Siebenmorgen, Alan R. Vazquez, Griffiths Atungulu Sep 2024

Drying Techniques For Precooked Hybrid Rice To Ensure Quality Of Instantized Rice, Anne Adhiambo Okeyo, Kaushik Luthra, Justin Siebenmorgen, Alan R. Vazquez, Griffiths Atungulu

Food Science Faculty Publications and Presentations

Background and Objectives

Due to the emergence of new hybrid rice cultivars, rice processors must refine their processing protocols to maintain the production of high-quality products. This is crucial for the instant rice processing industry. Therefore, this study aims to refine current convective heated air-drying processing methods to suit the new hybrid rice cultivars intended for instant rice production. New strategies to dry cooked rice were investigated. These included drying in a stepwise manner with high (230–200°C) and medium (190–160°C) air temperatures and drying at constant high (200°C) and medium (160°C) air temperatures. Changes in quality attributes of two new …


Cyclic And Acyclic Acetals As Safe, Nonaqueous Formaldehyde Equivalents For The Synthesis Of Pillararenes, Babitha Machireddy, Maggie He Sep 2024

Cyclic And Acyclic Acetals As Safe, Nonaqueous Formaldehyde Equivalents For The Synthesis Of Pillararenes, Babitha Machireddy, Maggie He

Chemistry & Biochemistry Faculty Publications and Presentations

Pillar[5]arene was synthesized using acyclic acetals diethoxymethane and dimethoxymethane, and cyclic acetals 1,3-dioxolane and 1,3,5-trioxane as an alternative to paraformaldehyde. Both Lewis and Brønsted acids were effective in catalyzing the hydrolysis of acetal and initiating the Friedel–Crafts reaction in pillararene synthesis.


Claying To Ameliorate Soil Water Repellence, Department Of Primary Industries And Regional Development, Western Australia Sep 2024

Claying To Ameliorate Soil Water Repellence, Department Of Primary Industries And Regional Development, Western Australia

Natural resources factsheets

Claying involves adding and incorporating clay-rich subsoil into water repellent topsoil to overcome the repellence. Adding clay-rich soil provides a long-term solution to soil water repellence, and increases soil water holding capacity, reduces wind erosion risk, and may reduce frost risk.

Claying is best suited to medium to high rainfall environments in Western Australia, with higher crop and pasture yield potential.


Ord River Irrigation Area Strategy 2024-34, Department Of Primary Industries And Regional Development, Western Australia Sep 2024

Ord River Irrigation Area Strategy 2024-34, Department Of Primary Industries And Regional Development, Western Australia

Natural resources published reports

The ORIA Strategy 2024–34 sets a collective 10-year vision, identifying key areas for focus as well as defining key roles and responsibilities to drive the achievement of this vision.

It provides direction for government to continue to work alongside and support industry and the community to achieve positive development outcomes. As such, it has been developed in consultation with key stakeholders across local industry, Traditional Owners and community groups.


Exact Solutions Of Stochastic Burgers–Korteweg De Vries Type Equation With Variable Coefficients, Kolade Adjibi, Allan Martinez, Miguel Mascorro, Carlos Montes, Tamer Oraby, Rita Sandoval, Erwin Suazo Sep 2024

Exact Solutions Of Stochastic Burgers–Korteweg De Vries Type Equation With Variable Coefficients, Kolade Adjibi, Allan Martinez, Miguel Mascorro, Carlos Montes, Tamer Oraby, Rita Sandoval, Erwin Suazo

School of Mathematical & Statistical Sciences Faculty Publications

We will present exact solutions for three variations of the stochastic Korteweg de Vries–Burgers (KdV–Burgers) equation featuring variable coefficients. In each variant, white noise exhibits spatial uniformity, and the three categories include additive, multiplicative, and advection noise. Across all cases, the coefficients are time-dependent functions. Our discovery indicates that solving certain deterministic counterparts of KdV–Burgers equations and composing the solution with a solution of stochastic differential equations leads to the exact solution of the stochastic Korteweg de Vries–Burgers (KdV–Burgers) equations.


Twisted Spatiotemporal Optical Vortex Beams In Dispersive Media, Milo W. Hyde Iv Sep 2024

Twisted Spatiotemporal Optical Vortex Beams In Dispersive Media, Milo W. Hyde Iv

Faculty Publications

We derive a closed-form expression for the mutual coherence function (MCF) of a twisted spatiotemporal optical vortex (STOV) beam after propagating a distance in a linear dispersive medium. A twisted STOV beam is a partially coherent optical field that possesses a coherent STOV and a stochastic twist coupling its space and time dimensions. These beams belong to a special class of space–time-coupled light fields that carry transverse (to the direction of propagation) orbital angular momentum, making them potentially useful in numerous applications including quantum optics, optical manipulation, and optical communications. After presenting the derivation, we validate our new general MCF …


From Stars To Moons: Investigating Stellar Rotations, Planetary Interactions, And Exoplanetary Prospects, Rosario Cecilio-Flores-Elie Sep 2024

From Stars To Moons: Investigating Stellar Rotations, Planetary Interactions, And Exoplanetary Prospects, Rosario Cecilio-Flores-Elie

Dissertations, Theses, and Capstone Projects

The thesis is divided into two key sections. The first chapter presents the results of analyzing TESS light curves for 99 targets within the Carina-Near moving group. By deriving rotational periods, this analysis supports stellar age estimation, contributing to the broader efforts of the Backyard Worlds: Planet 9 citizen project in determining age parameters for 89 newly identified systems, including ultracool dwarf companions. These findings enhance our understanding of stellar rotation and evolution, offering new insights into the development of secondary co-moving objects like brown dwarfs.

The second chapter investigates planet-moon interactions within our solar system by examining mass ratios, …


Shear Viscosity Of Quasi One-Dimensional Bec Tubes And Entanglement Negativity Conditions, Camilla Polvara Sep 2024

Shear Viscosity Of Quasi One-Dimensional Bec Tubes And Entanglement Negativity Conditions, Camilla Polvara

Dissertations, Theses, and Capstone Projects

Shear Viscosity of Quasi One-dimensional BEC Tubes

We consider layered Bose-Einstein condensates interacting via contact intra-condensate interacions and dipolar inter-condensate potentials, both of which dominate intercondensate tunneling (which we neglect for simplicity). For this system, we compute the normal modes, we study its localization properties by numerically computing the inverse participation ratio, and we compute the inter-tube shear viscosity.

Entanglement Negativity Conditions

This project explores bounds on entanglement negativity using operator inequalities, building on the results of [1]. We are looking for a way to quantify entanglement, as an alternative to calculating the full negativity, which would otherwise require the …


Image-Guided Patient-Specific Optimization Of Catheter Placement For Convection-Enhanced Nanoparticle Delivery In Recurrent Glioblastoma, Chengyue Wu, David A Hormuth, Chase D Christenson, Ryan T Woodall, Michael R A Abdelmalik, Thomas J R Hughes, Thomas E Yankeelov Sep 2024

Image-Guided Patient-Specific Optimization Of Catheter Placement For Convection-Enhanced Nanoparticle Delivery In Recurrent Glioblastoma, Chengyue Wu, David A Hormuth, Chase D Christenson, Ryan T Woodall, Michael R A Abdelmalik, Thomas J R Hughes, Thomas E Yankeelov

Faculty, Staff and Student Publications

Background: Proper catheter placement for convection-enhanced delivery (CED) is required to maximize tumor coverage and minimize exposure to healthy tissue. We developed an image-based model to patient-specifically optimize the catheter placement for rhenium-186 (186Re)-nanoliposomes (RNL) delivery to treat recurrent glioblastoma (rGBM).

Methods: The model consists of the 1) fluid fields generated via catheter infusion, 2) dynamic transport of RNL, and 3) transforming RNL concentration to the SPECT signal. Patient-specific tissue geometries were assigned from pre-delivery MRIs. Model parameters were personalized with either 1) individual-based calibration with longitudinal SPECT images, or 2) population-based assignment via leave-one-out cross-validation. The concordance correlation coefficient …


Limit Theorems For L-Functions In Analytic Number Theory, Asher Roberts Sep 2024

Limit Theorems For L-Functions In Analytic Number Theory, Asher Roberts

Dissertations, Theses, and Capstone Projects

We use the method of Radziwill and Soundararajan to prove Selberg’s central limit theorem for the real part of the logarithm of the Riemann zeta function on the critical line in the multivariate case. This gives an alternate proof of a result of Bourgade. An upshot of the method is to determine a rate of convergence in the sense of the Dudley distance. This is the same rate Selberg claims using the Kolmogorov distance. We also achieve the same rate of convergence in the case of Dirichlet L-functions. Assuming the Riemann hypothesis, we improve the rate of convergence by using …


Multi-Scale Variational Autoencoder For Imputation Of Missing Values In Untargeted Metabolomics Using Whole-Genome Sequencing Data, Chen Zhao, Kuan-Jui Su, Chong Wu, Xuewei Cao, Qiuying Sha, Zhe Luo, Chuan Qiu, Lan Juan Zhao, Anqi Liu, Lindong Jiang, Xiao Zhang, Hui Shen, Weihua Zhou, Hong-Wen Deng Sep 2024

Multi-Scale Variational Autoencoder For Imputation Of Missing Values In Untargeted Metabolomics Using Whole-Genome Sequencing Data, Chen Zhao, Kuan-Jui Su, Chong Wu, Xuewei Cao, Qiuying Sha, Zhe Luo, Chuan Qiu, Lan Juan Zhao, Anqi Liu, Lindong Jiang, Xiao Zhang, Hui Shen, Weihua Zhou, Hong-Wen Deng

Faculty, Staff and Student Publications

Background: Missing data is a common challenge in mass spectrometry-based metabolomics, which can lead to biased and incomplete analyses. The integration of whole-genome sequencing (WGS) data with metabolomics data has emerged as a promising approach to enhance the accuracy of data imputation in metabolomics studies.

Method: In this study, we propose a novel method that leverages the information from WGS data and reference metabolites to impute unknown metabolites. Our approach utilizes a multi-scale variational autoencoder to jointly model the burden score, polygenetic risk score (PGS), and linkage disequilibrium (LD) pruned single nucleotide polymorphisms (SNPs) for feature extraction and missing metabolomics …


Design, Fabrication, And Spectroscopy Of Photocatalytic Materials In Visible Spectrum, Yamuna Paudel Sep 2024

Design, Fabrication, And Spectroscopy Of Photocatalytic Materials In Visible Spectrum, Yamuna Paudel

Dissertations, Theses, and Capstone Projects

Heterogeneous photocatalysis has attracted research interest in sustainable energy technologies. However, achieving high photocatalytic efficiency from visible light-absorbing semiconductors is challenging due to their weak absorption, transport losses, and low activity. While multilayer approaches have been developed to enhance the surface reactivity and stability independent of electronic factors, a comprehensive framework for optimizing light-matter interactions has not yet been established. Here, we introduce a photonic strategy using semiconductor metasurfaces, which is highly effective in enhancing the photocatalytic activity of GaAs, a high-performance semiconductor with a near-infrared bandgap. Our engineered pillar arrays with heights of ~150 nm exhibit Mie resonances near …


Protein And Water Modeling In Computer-Aided Drug Discovery, Mossa Ghattas Sep 2024

Protein And Water Modeling In Computer-Aided Drug Discovery, Mossa Ghattas

Dissertations, Theses, and Capstone Projects

The field of Computer-Aided Drug Design (CADD) is continuously evolving to improve protein modeling, a crucial step in the drug discovery process. However, limitations exist in how CADD accounts for the various configurations a protein can adopt due to different rotamer and protonation states of its residues. This thesis explores advancements in CADD to address this challenge, focusing on protein modeling and water interactions.

In Chapter 1, I introduce the drug discovery process with a brief overview of its history, the purpose of FDA clinical trials, and the cost and time duration for bringing a drug to the market. I …