Data Science Commons^™

Molecular Quantum Particle Algorithm (Mqpa): Hybrid Quantum-Classical Learning For Molecular Property Prediction, Jessica T. Mcphaul, Bivin Sadler Ph.D.

SMU Data Science Review

Classical machine learning models and quantum kernel methods often struggle to capture quantum-coherent molecular features under the constraints of noisy intermediate-scale quantum (NISQ) hardware, limiting both predictive accuracy and scalability.

This paper introduces the Molecular Quantum Particle Algorithm (MQPA), a hybrid quantum–classical framework designed to achieve chemically accurate property prediction by integrating handcrafted molecular descriptors with parameterized quantum circuits. Molecular inputs, expressed as SMILES strings, are processed via RDKit and encoded through angle-based quantum gates with entangling layers in Qiskit [1]. Quantum parameters are optimized using simultaneous perturbation stochastic approximation (SPSA) [2], while classical regression layers leverage Adam [3] with …

Keynote - Data? We Don't Have Time For Data: A Realistic Look At Law Enforcement Use Of And Need For Human Trafficking Data, Doug Gilmer Phd

SMU Human Trafficking Data Conference

Drawing on over 35 years of law enforcement experience (25 years with the Department of Homeland Security), Dr. Gilmer will speak from a government and law enforcement perspective on the need and use for human trafficking data. Some agencies and components of the U.S. government, and individual states, are heavily invested in collecting data to satisfy their reporting requirements. From a law enforcement perspective, however, big human trafficking data sets are rarely examined. Data science in law enforcement is a relatively new phenomenon, and most law enforcement officers do not have the time, resources, or background to collect or analyze …

Data Encoding, Compilation, And Algorithms For Quantum Machine Learning, Aviraj Sinha

Computer Science and Engineering Theses and Dissertations

Quantum computing enables new approaches to data processing, especially in quantum machine learning. Unlike classical systems, quantum data must be synthesized through operations and can exist in superposition. Encoding choices affect efficiency, noise resilience, and trainability—key factors in quantum machine learning models. This dissertation enhances quantum data encodings by extending quantum read-only memory (QROM) beyond binary representations, improving efficiency and parallelism. It introduces new compilation methods for quantum random number generators (QRNGs), supporting non-parametric distributions for post-quantum cryptography. Additionally, it explores Cayley graph-based encodings to extract spectral features for quantum machine learning.

Hybrid Graph-Recurrent Architecture For Citation Recommendation Via Future Embedding Forecasting, Mohammad Ausaf Ali Haqqani

Computer Science and Engineering Theses and Dissertations

The rapid expansion of scientific literature has intensified the challenge of identifying relevant citations, particularly for newly published or under-cited papers. Traditional citation recommendation systems typically model static relationships or respond to past citation activity, offering limited predictive power for emerging works. In response, this thesis presents a temporal modeling framework for citation recommendation that anticipates future scholarly relevance by forecasting the latent representations of academic papers.

Building on prior work that utilized Temporal Graph Networks (TGNs) to model dynamic citation flows, we propose Graph-Time, a hybrid architecture that integrates a Graph Transformer with a GRU-based time series predictor. The …

Application For Prediction Of Heart Failure; The Next Step In Machine Learning For Healthcare, Amy Adyanthaya, Dawn Bowerman, Rachel Liercke, Robert Slater

SMU Data Science Review

Heart failure (HF) is a serious medical condition affecting approximately 6.7 million U.S. adults and is expected to impact 8.5 million Americans by 2030 [1]. Heart failure is a complicated clinical ailment and characterizes the final course of numerous heart diseases [2]. This paper introduces a machine-learning-based application that utilizes Support Vector Machine (SVM), Multi-Layer Perceptron (MLP), and XGBoost models, implemented through the Python Flask framework, to predict HF risk using clinical data. The results indicate high model performance, with precision and recall metrics underscoring the application’s reliability in identifying at-risk patients. By providing real-time, accessible insights, this tool aims …

Multi-Agent Translation Team (Matt): Enhancing Low-Resource Language Translation Through Multi-Agent Workflow, Anishka Peter, Mai Dang, Michael Liu, Joaquin Dominguez, Nibhrat Lohia

SMU Data Science Review

Like humans, large language models (LLMs) benefit from revision and refinement, especially for complex tasks requiring critical thinking. Inspired by human collaborative problem-solving, this study introduces a novel multi-agent workflow designed to enhance LLM translations from English to low-resource languages. Multi-Agent Translation Team (MATT) involves the collaboration of agents that are assigned specific roles, such as translator, evaluation coordinator, and various levels of editing, to refine the initial translation into the most desired version possible. The agents work collaboratively in an iterative loop until the translation loss meets a satisfactory threshold. It stands out from other multi-agent workflows by combining …

Enhancing Animal Shelter Operations With Time Series And Machine Learning, Sakava L. Kiv, Donald L. Anderson, Shivam Negi, Jacquelyn Cheun

SMU Data Science Review

Enhancing animal shelter operations through machine learning involves employing a variety of advanced techniques aimed at increasing efficiency, promoting animal welfare, and optimizing resource allocation. This paper explores predictive analytics for adoption rates using regression models to estimate the likelihood of adoption based on historical data, encompassing variables such as breed, health status, and previous adoption trends. Additionally, classification algorithms are utilized to categorize animals by adoption probability, facilitating better resources and marketing prioritization. Clustering algorithms are employed to group animals according to behavior patterns and/or physical health, enabling tailored medical care and enrichment activities that improve their mental and …

Enhancing Network Security Through Dual-Layer Log Analysis: Integrating Machine Learning Classifiers With Large Language Models For Intelligent Anomaly Detection, Anthony Burton-Cordova, O'Neil Gray, Mohammad Al Rousan

SMU Data Science Review

This paper presents an innovative approach to enhancing network security by integrating machine learning algorithms with fine-tuned large language models (LLMs) to provide an expert assistant querying. The proposed method utilizes machine learning for efficient preprocessing and feature extraction from log data, followed by the application of a fine-tuned LLM to analyze and interpret anomalies with greater accuracy. This dual-layer detection system is designed to improve the identification of subtle and sophisticated security threats. The research team’s extensive evaluation using real-world log datasets indicates that the combined approach increases detection rates and communicates results in an understandable manner, demonstrating its …

Graph Neural Networks Powered Scientific Paper Recommendation, Junhao Shen

Computer Science and Engineering Theses and Dissertations

Scientific paper recommendation systems aim to help researchers discover relevant papers amidst the vast and ever-growing body of literature. With the exponential yearly increase in scientific publications, the demand for effective paper recommendation solutions has become both critical and increasingly challenging. In recent years, deep learning techniques have revolutionized recommender systems, and scientific paper recommendations have naturally integrated these advancements. In this dissertation, we address these challenges through three progressive contributions.

First, we enhance traditional content-based methods using Graph Neural Networks (GNNs) by introducing a Graph Convolutional Network-strengthened Topic Modeling (GCN-TM) approach. This method improves upon conventional topic modeling techniques …

Data Analysis On Predicting The Top 12 Fantasy Football Players By Position, Alan Abadzic, Jacquelyn Cheun, Milan Patel

SMU Data Science Review

Fantasy football enthusiasts rely on rankings populated by their platform of choice to draft winning teams and make strategic roster decisions. This study presents a comprehensive analysis of player performance data to forecast the top 12 fantasy points performers per position for the upcoming season. Leveraging machine learning techniques and historical data, our model identifies key performance indicators and trends to inform player evaluations. Insights gleaned from positional trends, breakout candidates, risk assessment, and matchup analysis offer a competitive edge. By addressing limitations, ethical considerations, and avenues for future research, this study contributes to the advancement of fantasy sports analysis …

Enhancing Imputation Accuracy: A Multi-Faceted Approach For Missing Data In Chicago Arrest Records, Steve Bramhall, Jae Chung, Nicholas Mueller

SMU Data Science Review

This paper introduces a novel approach to enhance the imputation process for missing data, utilizing crime records from Chicago with arrests as the target feature. Robust imputation techniques are crucial in the era of burgeoning datasets for generating reliable insights. Our core objective is to present an innovative method that improves imputation techniques, augmenting model performance and bolstering the reliability of analytical outcomes. Leveraging numeric crime data, we establish a Gradient Boosting (GBM) baseline model, then introduce ensemble methods including Random Forest and Decision Trees for further refinement. By systematically exploring multiple imputation processes, we establish a baseline for comparative …

Geospatial Temporal Crime Prediction Using Convolution And Lstm Neural Networks: Enhancing The Las Vegas Cardiff Model, Corey D. Holmes, Christian Orji, Chris Papesh

SMU Data Science Review

According to the Department of Justice, more than half of violent crimes go unreported to law enforcement in the United States (Kollar et al., 2018). This data gap reduces the opportunity to implement proven solutions in the areas with the greatest need. In 1996, Dr. Shepherd developed the Cardiff Model with the aim of bringing together hospitals, law enforcement, and community leaders through the sharing of data. We partnered with ongoing efforts to implement the Cardiff Model in Las Vegas, Nevada. Our goal was to provide a geospatial temporal model that can predict the next 30 days of crime. By …

Rethinking Retrieval Augmented Fine-Tuning In An Evolving Llm Landscape, Nicholas Sager, Timothy Cabaza, Matthew Cusack, Ryan Bass, Joaquin Dominguez

SMU Data Science Review

This study explores the utilization of Retrieval Augmented Fine-Tuning (RAFT) to enhance the performance of Large Language Models (LLMs) in domain-specific Retrieval Augmented Generation (RAG) tasks. By integrating domain-specific information during the retrieval process, RAG aims to reduce hallucination and improve the accuracy of LLM outputs. We investigate the use of RAFT, an approach that enhances LLMs by incorporating domain-specific knowledge and effectively handling distractor documents. This paper validates previous work, which found that RAFT can considerably improve the performance of Llama2-7B in specific domains. We also expand upon previous work into new state-of-the-art open-source models and other datasets with …

Enhancing Shap With Multi-Core Parallelization And Distributed Computation, Matthew David, William Jones, Hayley Horn

SMU Data Science Review

In recent years, the adoption of complex machine learning algorithms, often perceived as “black box” models, has grown exponentially across various disciplines. However, the lack of understanding regarding how these models come to their predictions often fosters skepticism and mistrust. In response to the demand for transparency and interpretability, Explainable AI techniques, such as SHapley Additive exPlanations (SHAP), have emerged as powerful tools for comprehending and trusting these algorithms. However, SHAP has an exponential computational demand O( x2 ), where x is the number of features. This becomes increasingly problematic with the larger datasets standard in most industries. Many frameworks …

Predictive Analysis Of Local House Prices: Leveraging Machine Learning For Real Estate Valuation, Joey Hernandez, Danny Chang, Santiago Gutierrez, Paul Huggins

SMU Data Science Review

This paper presents a comprehensive study examining the real estate market potential in the dynamic urban landscapes of Frisco and Plano, Texas. Combining traditional real estate analysis with cutting-edge machine learning techniques, the study aims to predict home prices and assess investment feasibility. Leveraging these findings, the study proposes a strategic focus on predictive modeling and investment potential identification, emphasizing the continual refinement of machine learning models with updated data to accurately forecast changes in the real estate market. By harnessing the predictive power of these models, investors can identify high-growth areas and optimize their investment decisions, thus capitalizing on …

A Symbolic Approach To Nonlinear Time Series Analysis, Ranjan Karki, Nibhrat Lohia, Michael B. Schulte

SMU Data Science Review

Current nonlinear time series methods such as neural networks forecast well. However, they act as a black box and are difficult to interpret, leaving the researchers and the audience with little insight into why the forecasts are the way they are. There is a need for a method that forecasts accurately while also being easy to interpret. This paper aims to develop a method to build an interpretable model for univariate and multivariate nonlinear time series data using wavelets and symbolic regression. The final method relies on multilayer perceptron (MLP) neural networks as a form of dimensionality reduction and the …

Intelligent Solutions For Retroactive Anomaly Detection And Resolution With Log File Systems, Derek G. Rogers, Chanvo Nguyen, Abhay Sharma

SMU Data Science Review

This paper explores the intricate challenges log files pose from data science and machine learning perspectives. Drawing inspiration from existing methods, LAnoBERT, PULL, LLMs, and the breadth of recent research, this paper aims to push the boundaries of machine learning for log file systems. Our study comprehensively examines the unique challenges presented in our problem setup, delineates the limitations of existing methods, and introduces innovative solutions. These contributions are organized to offer valuable insights, predictions, and actionable recommendations tailored for Microsoft's engineers working on log data analysis.

Baseball Decision-Making: Optimizing At-Bat Simulations, Varun Gopal, Krithika Kondakindi, Nibhrat Lohia, Morgan Williams

SMU Data Science Review

Pitch selection in baseball plays a crucial role, involving pitchers, catchers, and batters working together. This practice, dating back to early baseball, has seen teams try various methods to gain an advantage. This research aims to use reinforcement learning and pitch-by-pitch Statcast data to improve batting strategies. It also builds on previous statistical work (sabermetrics) to make better choices in pitch selection and plate discipline. The dataset used, including over 700,000 pitches for each full season and 200,000 pitches for the COVID-shortened 2020 season, encompasses a wealth of crucial metrics including pitch release point, velocity, and launch angle. This study …

Reevaluating Texas Energy Market Forecasts In The Wake Of Recent Extreme Weather Events, Robert A. Derner, Richard W. Butler Ii, Alexandria Neff, Adam R. Ruthford

SMU Data Science Review

This paper provides updated forecasts of energy demand in Texas and recognizes the impact of sustainable energy. It is important that the forecasts of the adoption of sustainable energy are reexamined after Winter Storm Uri crippled the Texas power grid and left many without power. This storm highlighted the issues the Texas power grid had and has continued to struggle with in supplying the state with energy. This paper will offer an overview of the relevant literature on the adoption of sustainable energy and relevant events that have occurred in the state of Texas that will give the reader the …

Multi-Class Emotion Classification With Xgboost Model Using Wearable Eeg Headband Data, James Khamthung, Nibhrat Lohia, Seement Srivastava

SMU Data Science Review

Electroencephalography (EEG) or brainwave signals serve as a valuable source for discerning human activities, thoughts, and emotions. This study explores the efficacy of EXtreme Gradient Boosting (XGBoost) models in sentiment classification using EEG signals, specifically those captured by the MUSE EEG headband. The MUSE device, equipped with four EEG electrodes (TP9, AF7, AF8, TP10), offers a cost-effective alternative to traditional EEG setups, which often utilize over 60 channels in laboratory-grade settings. Leveraging a dataset from previous MUSE research (Bird, J. et al., 2019), emotional states (positive, neutral, and negative) were observed in a male and a female participant, each for …

Building Effective Large Language Model Agents, Sydney Holder, Shreyash Taywade

SMU Data Science Review

The advancement of large language models (LLMs) has significantly expanded the influence of artificial intelligence across various sectors. This paper explores building LLM agents to power applications and examines what is necessary to build an efficient and helpful AI assistant. The research investigates the core components necessary to create specialized agents, facilitate collaboration in problem-solving, and improve human task performance. The development and application of tools designed to augment the capabilities of LLM agents are also explored. The paper addresses the potential risks of the unknowns, such as hallucinations, which can compromise the success of agent-based solutions within LLM applications. …

Game Recommendation Analysis Using Steam Profiles And Reviews, Robert Blue, Luis Garcia, Jacob Turner

SMU Data Science Review

Smaller game studios are at a disadvantage when it comes to getting their product noticed by users. This study aims to provide insights on how recommendation engines work so that these smaller studios can have their games noticed on Steam. Steam is one of the largest video game distribution services and they have a recommendation engine which promotes games to its user base. This study utilized user information such as number of games played, the type of games, and the hours played and created recommendation engines to identify the qualities in the game that are driving recommendations.

Leveraging Transformer Models For Genre Classification, Andreea C. Craus, Ben Berger, Yves Hughes, Hayley Horn

SMU Data Science Review

As the digital music landscape continues to expand, the need for effective methods to understand and contextualize the diverse genres of lyrical content becomes increasingly critical. This research focuses on the application of transformer models in the domain of music analysis, specifically in the task of lyric genre classification. By leveraging the advanced capabilities of transformer architectures, this project aims to capture intricate linguistic nuances within song lyrics, thereby enhancing the accuracy and efficiency of genre classification. The relevance of this project lies in its potential to contribute to the development of automated systems for music recommendation and genre-based playlist …

Context Aware Music Recommendation And Playlist Generation, Elias Mann

SMU Journal of Undergraduate Research

There are many reasons people listen to music, and the type of music is largely determined by what the listener may be doing while they listen. For example, one may listen to one type of music while commuting, another while exercising, and yet another while relaxing. Without access to the physiological state of the user, current music recommendation methods rely on collaborative filtering - recommending music based on what other similar users listen to - and content based filtering - recommending songs based on their similarities to songs the user already prefers. With the rise in popularity of smart devices …

Interpretable Word-Level Sentiment Analysis With Attention-Based Multiple Instance Classification Models, Chenyu Yang

Statistical Science Theses and Dissertations

In this study, our main objective is to tackle the black-box nature of popular machine learning models in sentiment analysis and enhance model interpretability. We aim to gain more insight into the decision-making process of sentiment analysis models, which is often obscure in those complex models. To achieve this goal, we introduce two word-level sentiment analysis models.

The first model is called the attention-based multiple instance classification (AMIC) model. It combines the transparent model structure of multiple instance classification and the self-attention mechanism in deep learning to incorporate the contextual information from documents. As demonstrated by a wine review dataset …

Deep Learning For Microbiome-Based Integrative Modeling And Microbial Biomarkers Identification, Sen Yang

Statistical Science Theses and Dissertations

The human microbiome, comprising trillions of microorganisms, plays a pivotal role in modulating host physiology via molecular and metabolite exchanges. One of the major challenges in this field lies in the effective integration of microbiome and metabolomics data, an achievement that holds the promise of substantially enhancing the precision of disease prediction. However, many datasets prioritize microbiome data while neglecting paired metabolome information. Additionally, the prevalent analytical tools face challenges in effectively merging these intricate datasets, leading to possible misinterpretations and reduced prediction accuracies.

To address these challenges, the first part of this research introduces the Microbiome-based Supervised Contrastive Learning …

Ohio Recovery Housing: Resident Risk And Outcomes Assessment, Elyjiah Potter, Bivin Sadler

SMU Data Science Review

Addiction and substance abuse disorder is a significant problem in the United States. Over the past two decades, the United States has faced a boom in substance abuse, which has resulted in an increase in death and disruption of families across the nation. The State of Ohio has been particularly hard hit by the crisis, with overdose rates nearly doubling the national average. Established in the mid 1970’s Sober Living Housing is an alcohol and substance use recovery model emphasizing personal responsibility, sober living, and community support. This model has been adopted by the Ohio Recovery Housing organization, which seeks …

Deep Learning Image Analysis To Isolate And Characterize Different Stages Of S-Phase In Human Cells, Kevin A. Boyd, Rudranil Mitra, John Santerre, Christopher L. Sansam

SMU Data Science Review

Abstract. This research used deep learning for image analysis by isolating and characterizing distinct DNA replication patterns in human cells. By leveraging high-resolution microscopy images of multiple cells stained with 5-Ethynyl-2′-deoxyuridine (EdU), a replication marker, this analysis utilized Convolutional Neural Networks (CNNs) to perform image segmentation and to provide robust and reliable classification results. First multiple cells in a field of focus were identified using a pretrained CNN called Cellpose. After identifying the location of each cell in the image a python script was created to crop out each cell into individual .tif files. After careful annotation, a CNN was …

Investigation Into A Practical Application Of Reinforcement Learning For The Stock Market, Philip Traxler, Sadik Aman, Will Rogers, Allyn Okun

SMU Data Science Review

A major problem of the financial industry is the ability to adapt their trading strategies at the same rate the market evolves. This paper proposes a solution using existing Reinforcement Learning libraries to help find new strategies at a practical scale. Using a wide domain of ticker symbols, an algorithm is trained in an environment that better represents reality. The supplied decision-making algorithm is tested using recorded data from the U.S stock market from 2000 through 2022. The results of this research show that existing techniques are statistically better than making decisions at random. With this result, this research shows …

Differentiation Of Human, Dog, And Cat Hair Fibers Using Dart Tofms And Machine Learning, Laura Ahumada, Erin R. Mcclure-Price, Chad Kwong, Edgard O. Espinoza, John Santerre

SMU Data Science Review

Hair is found in over 90% of crime scenes and has long been analyzed as trace evidence. However, recent reviews of traditional hair fiber analysis techniques, primarily morphological examination, have cast doubt on its reliability. To address these concerns, this study employed machine learning algorithms, specifically Linear Discriminant Analysis (LDA) and Random Forest, on Direct Analysis in Real Time time-of-flight mass spectra collected from human, cat, and dog hair samples. The objective was to develop a chemistry- and statistics-based classification method for unbiased taxonomic identification of hair. The results of the study showed that LDA and Random Forest were highly …