Numerical Analysis and Scientific Computing Commons^™

Development And Application Of Computational Tools For Data-Driven Materials Science., Logan L. Lang

Graduate Theses, Dissertations, and Problem Reports (ETD)

Modern materials science generates vast amounts of data from computational simulations and experiments, creating significant challenges for data processing and analysis. This thesis addresses these challenges through the development and application of computational tools within the framework of Material Data Science (MDS). Contributions span the four pillars of MDS: Material/Molecular Data, Algorithms, Databases, and High-Throughput Processes—with a primary focus on the Algorithm, Data, Database pillars.

For the Algorithm pillar, two Python libraries were developed to streamline common analysis tasks. PyProcar simplifies the post-processing and visualization of electronic structure data (band structures, density of states, Fermi surfaces) obtained from various Density …

Modeling Relativistic Fluids In Dynamical Spacetimes, Terrence Alphonse Pierre Jacques

Graduate Theses, Dissertations, and Problem Reports (ETD)

Multi-messenger astrophysics opens a new era in our understanding of the most dynamic and energetic systems in the Universe. Correlating gravitational-wave and electromagnetic signals in space and time enables stringent tests of models for core-collapse supernovae, merging supermassive black-hole binaries with accretion disks and jets, and mergers of compact object binaries such as binary neutron stars (BNS) and white dwarfs. Comparisons between models and multi-messenger observations may be used to constrain the neutron-star equation of state (EOS), formation channels for compact-object binaries, and emission mechanisms behind short gamma-ray bursts.

In modeling such astrophysical systems, great success has been achieved by …

Personalized Physics Learning Through Ai: Insights From Problem Generation, Chatbot Dialogues, And Intelligent Tutoring Systems, Atharva Dange

Physics Dissertations - Archive

Artificial intelligence (AI) is poised to transform science education, yet questions remain on how best to integrate these technologies into teaching and learning. This dissertation investigates the use of AI-driven tools in university physics courses through three complementary studies. In the first study, a generative language model (ChatGPT) was used to create novel physics homework problems aligned with course objectives. Analysis showed that, after expert vetting, AI-generated questions can foster higher-order problem-solving and reduce student reliance on solution memorization, though careful instructor oversight is required to ensure accuracy. The second study embedded an AI chatbot as a learning aid in …

Last Digit Tendency: Lucky Number And Psychological Rounding In Mobile Transactions, Hai Wang, Tian Lu, Yingjie Zhang, Yue Wu, Yiheng Sun, Jingran Dong, Wen Huang

Research Collection School Of Computing and Information Systems

The distribution of digits in numbers obtained from different sources reveals interesting patterns. The well-known Benford’s law states that the first digits in many real-life numerical data sets have an asymmetric, logarithmic distribution in which small digits are more common; this asymmetry diminishes for subsequent digits, and the last digit tends to be uniformly distributed. In this paper, we investigate the digit distribution of numbers in a large mobile transaction data set with 835 million mobile transactions and payments made by approximately 460,000 users in more than 300 cities. Although the first digits of the numbers in these mobile transactions …

The Presence Of Outer Giant Planets And Their Role In Inner Planet Formation With And Without Their Influence, Mateo E. Guerra Toro

Graduate Theses/Dissertations

We performed dynamical simulations of the giant impact phase of planet formation to investigate the formation of inner terrestrial planets under the influence of 4 solar system-like outer giant planets. We developed a new code using the N-body simulation suite REBOUND and REBOUNDx (Rein et al. (2019) and Tamayo et al. (2019)) to simulate 2 stages of planetary formation: a residual gaseous protoplanetary disk phase and subsequent dynamical evolution after the disk photoevaporates. The initial conditions for the inner planetary embryos were taken by Morrison et al. (2020) based on a range of solid surface densities that produced Super-Earth terrestrial …

Simulation Of Annpet For Neural Network Training And System Performance Benchmarking, Pete Martone

Graduate Theses, Dissertations, and Problem Reports (ETD)

Monte Carlo (MC) simulations are often used to provide insight into complex physical phenomenon. They can generate realistic results without the necessity to construct costly and complex apparatus. The ultimate value of these simulations depend on how accurately the physics can be modeled and if a sufficient volume can be produced to account for statistical variance. In medical imaging device development, MC simulations of Positron Emission Tomography (PET) scanners have typically been used to model the performance of new systems. The imaging group in the Department of Radiology have developed a unique detector design for a pre- clinical PET scanner …

Linking Empirical Data And Numerical Simulation To Characterize Dynamic Fire Behavior Associated With Interacting Firelines, Marta Sergeevna Jerebets

Graduate Student Theses, Dissertations, & Professional Papers

Understanding fuel pattern-fire process relationships is key for predicting fire behavior and effects with follow-on benefits to proactive fire management and model validation. To characterize dynamic fire behavior, this thesis leverages empirical data and numerical simulation through two complementary studies.

In the first study, longwave thermal sensors aboard unmanned aerial systems (UAS) were used to capture fine-scale fire behavior in two experimental grass burns. A novel paired design was used to quantify the effects of fuel arrangement on fire behavior with 3.66 m diameter treatments cut to a height of 0.15 m. The treatments ephemerally reduced fire rate of spread …

A Universal Implementation Of Radiative Effects In Neutrino Event Generators, Júlia Tena-Vidal, Adi Ashkkenazi, Lawrence B. Weinstein, Peter Blunden, Steven Dytman, Noah Steinberg

Physics Faculty Publications

Due to the similarities between electron-nucleus (eA) and neutrino-nucleus scattering (νA), eA data can contribute key information to improve cross-section modeling in eA and hence in νA event generators. However, to compare data and generated events, either the data must be radiatively corrected or radiative effects need to be included in the event generators. We implemented a universal radiative corrections program that can be used with all reaction mechanisms and any eA event generator. Our program includes real photon radiation by the incident and scattered electrons, and virtual photon exchange and photon vacuum polarization diagrams. It …

State Preparation Of Lattice Field Theories Using Quantum Optimal Control, Jack Y. Araz, Siddhanth Bhowmick, Matt Grau, Thomas J. Mcentire, Felix Ringer

Physics Faculty Publications

We explore the application of quantum optimal control (QOC) techniques to state preparation of lattice field theories on quantum computers. As a first example, we focus on the Schwinger model, quantum electrodynamics in 1 + 1 dimensions. We demonstrate that QOC can significantly speed up the ground state preparation compared to gate-based methods, even for models with long-range interactions. Using classical simulations, we explore the dependence on the interqubit coupling strength and the device connectivity, and we study the optimization in the presence of noise. While our simulations indicate potential speedups, the results strongly depend on the device specifications. In …

Bi-Objective Dynamic Tugboat Scheduling With Speed Optimization Under Stochastic And Time-Varying Service Demands, Xiaoyang Wei, Hoong Chuin Lau, Zhe Xiao, Xiuju Fu, Xiaocai Zhang, Zheng Qin

Research Collection School Of Computing and Information Systems

With the growing emphasis on green shipping to reduce the environmental impact of maritime transportation, optimizing fuel consumption with maintaining high service quality has become critical in port operations. Ports are essential nodes in global supply chains, where tugboats play a pivotal role in the safe and efficient maneuvering of ships within constrained environments. However, existing literature lacks approaches that address tugboat scheduling under realistic operational conditions. To fill the research gap, this is the first work to propose the bi-objective dynamic tugboat scheduling problem that optimizes speed under stochastic and time-varying demands, aiming to minimize fuel consumption and manage …

Dims: Distributed Index For Similarity Search In Metric Spaces, Yifan Zhu, Chengyang Luo, Tang Qian, Lu Chen, Yunjun Gao, Baihua Zheng

Research Collection School Of Computing and Information Systems

Similarity search finds objects that are similar to a given query object based on a similarity metric. As the amount and variety of data continue to grow, similarity search in metric spaces has gained significant attention. Metric spaces can accommodate any type of data and support flexible distanc e metrics, making similarity search in metric spaces beneficial for many real-world applications, such as multimedia retrieval, personalized recommendation, trajectory analytics, data mining, decision planning, and distributed servers. However, existing studies mostly focus on indexing metric spaces on a single machine, which faces efficiency and scalability limitations with increasing data volume and …

Your Cursor Reveals: On Analyzing Workers’ Browsing Behavior And Annotation Quality In Crowdsourcing Tasks, Pei-Chi Lo, Ee-Peng Lim

Research Collection School Of Computing and Information Systems

In this work, we investigate the connection between browsing behavior and task quality of crowdsourcing workers performing annotation tasks that require information judgements. Such information judgements are often required to derive ground truth answers to information retrieval queries. We explore the use of workers’ browsing behavior to directly determine their annotation result quality. We hypothesize user attention to be the main factor contributing to a worker’s annotation quality. To predict annotation quality at the task level, we model two aspects of task-specific user attention, also known as general and semantic user attentions . Both aspects of user attention can be …

Empowering Crisis Information Extraction Through Actionability Event Schemata And Domain-Adaptive Pre-Training, Yuhao Zhang, Siaw Ling Lo, Phyo Yi Win Myint

Research Collection School Of Computing and Information Systems

One of the persistent challenges in crisis detection is inferring actionable information to support emergency response. Existing methods focus on situational awareness but often lack actionable insights. This study proposes a holistic approach to implementing an actionability extraction system on social media, including requirement gathering, selection of machine learning tasks, data preparation, and integration with existing resources, providing guidance for governments, civil services, emergency workers, and researchers on supplementing existing channels with actionable information from social media. Our solution leverages an actionability schema and domain-adaptive pre-training, improving upon the state-of-the-art model by 5.5% and 10.1% in micro and macro F1 …

Applying Machine Learning And Optimization Algorithms To Perform Feature Selection, Shizhao Yu

Theses and Dissertations (Comprehensive)

The objective of feature selection in the realms of machine learning and data mining is integral, serving as an efficient mechanism to eradicate redundant or irrelevant features, and subsequently augmenting the performance of predictive models. In the contemporary landscape of big data, with the escalating dimensionality of datasets, the efficacy of traditional feature selection methodologies is compromised, due to their computational complexity and ineptitude in addressing the curse of dimensionality. This thesis posits a pioneering feature selection framework that amalgamates machine learning with advanced optimization algorithms. The methodology employs a Support Vector Machine (SVM), in conjunction with a cutting-edge metaheuristic …

An Analytical Review Of Preprocessing Techniques In Bengali Natural Language Processing, Sovon Chakraborty, Protiva Das, Shakib Mahmud Dipto, Md Aktaruzzaman Pramanik, Jannatun Noor

Computer Science Faculty Publications

Research in Bengali Natural Language Processing (BNLP) is rapidly expanding. Despite being one of the most widely spoken languages in the world, BNLP research remains insufficient, particularly in Bengali speech recognition. The languages rich morphology, agglutinative structure, and diverse dialects make text and speech processing especially challenging. However, these challenges can be addressed with effective preprocessing techniques. Various organizations in Bangladesh and West Bengal are integrating Natural Language Processing (NLP) into their services, but without a thorough understanding of preprocessing, these implementations remain incomplete. Applying proper preprocessing techniques to the Bengali language will serve as a foundation for developing robust …

Geometric Gnns For Charged Particle Tracking At Gluex, Ahmed Hossam Mohammed, Kishansingh Rajput, Simon Taylor, Denis Furletov, Sergey Furletov, Malachi Schram

Computer Science Faculty Publications

Nuclear physics experiments are aimed at uncovering the fundamental building blocks of matter. The experiments involve high-energy collisions that produce complex events with many particle trajectories. Tracking charged particles resulting from collisions in the presence of a strong magnetic field is critical to enable the reconstruction of particle trajectories and precise determination of interactions. It is traditionally achieved through combinatorial approaches that scale worse than linearly as the number of hits grows. Since particle hit data naturally form a point cloud and can be structured as graphs, graph neural networks (GNNs) emerge as an intuitive and effective choice for this …

A Bibliographic And Topic Modeling Analysis Of The P-Adic Theory Literature Using Latent Dirichlet Allocation, Humberto Llinás, Ismael Gutiérrez, Anselmo Torresblanca, Javier De La Hoz, Brian Llinás

Computer Science Faculty Publications

P-adic analysis, introduced by Kurt Hensel in the early 20th century, has developed into a fundamental area of mathematical research with broad applications in number theory, algebraic geometry, and mathematical physics. This study aims to examine the thematic evolution and scholarly impact of p-adic research through a comprehensive topic modeling and bibliometric analysis. Using classical bibliometric techniques (e.g., performance analysis, co-authorship, and co-citation networks) combined with Latent Dirichlet Allocation (LDA), we analyzed 7388 peer-reviewed documents published between 1965 and 2024. The computational workflow was conducted using R (version 4.4.1) and VOSviewer (version 1.6.20), which enabled the identification of 20 distinct …

Can Llms Beat Humans On Discerning Human-Written And Llm-Generated Science News, Dominik Soós, Meng Jiang, Jian Wu

Computer Science Faculty Publications

Science news is increasingly important in connecting scientists and the public by sharing discoveries and innovations. With the rise of large language models (LLMs), there is potential to automate science news creation, but concerns exist about the quality of LLM-generated news versus human-written news. This paper explores whether LLMs can outperform humans in distinguishing between human-written and LLM-generated news. Inspired by the Chain-of-Thought prompting method, we designed a simple yet effective variant called Guided Few-shot (GFS), which encodes the characteristics of news of two types with examples. Our experiments indicated that GFS with just a single example effectively boosted the …

From Philosophy To Nlu: Evolving Definitions Of Research Hypotheses, Jian Wu, Sarah Rajtmajer

Computer Science Faculty Publications

Over the past decades, alongside advancements in natural language processing, significant attention has been paid to training models to automatically extract, understand, test, and generate hypotheses in open and scientific domains. However, interpretations of the term hypothesis for various natural language understanding (NLU) tasks have migrated from traditional definitions in the natural, social, and formal sciences. Even within NLU, we observe differences defining hypotheses across literature. In this paper, we overview and delineate various definitions of hypothesis. Especially, we discern the nuances of definitions across recently published NLU tasks. We highlight the importance of well-structured and well-defined hypotheses, particularly as …

Impact Of Urban Development On Uv Exposure: A Clustering And Machine Learning Assessment, Taufik Roni Sahroni Mr., Verdi Yasin, Lulut Alfaris, Reza Ariefka, Ruben Cornelius Siagian, Mohammad Alfin Karim, Nana Rahdiana, Ade Suhara

Journal of Environmental Science and Sustainable Development

The relocation of Indonesia's capital city is anticipated to promote inclusive economic growth while embracing cultural diversity. However, this transition may affect ultraviolet (UV) radiation exposure patterns. The study investigated variations in UV exposure in the IKN region, focusing on urban development factors such as land use and population density that affect public health, sun protection, and skin cancer prevention. The research hypothesized that UV radiation is significantly correlated with these factors. UV Index data from 2010-2023, a hierarchical clustering method, identifies complex data patterns without determining the number of clusters. XGBoost, a machine learning model, was used for handling …