Computer Sciences Commons^™

The Use Of Machine Learning Models For Predicting The Dielectric Strength Of Gases, Matthew Mileski, Paul W. Groth, Timothy S. Wolfe, Adib J. Samin

Faculty Publications

Technological advancements in high voltage systems have pushed sulfur hexafluoride (SF6) to its operational limits. Furthermore, this gas has other drawbacks including a high liquefaction temperature and a high global warming potential. Therefore, there has been an urgent need to find alternative gases with high dielectric strength (DS). In this work, density functional theory (DFT) is used to calculate molecular descriptors that are fed into an artificial neural network (ANN) and a random forest (RF). These machine learning (ML) models are then used to predict the DS for hundreds of molecules. A finite element model (FEM) is also used to …

Ai-Powered Resume Screening, Sang Suh, Numery Zaber

Faculty Publications

Traditional resume screening is manual, slow, and susceptible to bias, and it struggles to keep pace with today’s application volumes. This paper presents a dual-engine, AI-powered resume screening system designed for transparency and reproducibility. The primary (classical) pipeline encodes resumes and job descriptions using Sentence-BERT (SBERT), computes a resume–job match score via cosine similarity, classifies candidates into 25 job categories using XGBoost, and provides model interpretability through SHAP. In parallel, a prompted large language model (LLM) baseline (GPT-4o/4o-mini) outputs a match score and predicted category for comparative analysis. A Streamlit-based interface integrates both engines to support recruiter workflows and human-in-the-loop …

Observations On Recurrent Loss In The Neural Network Model Of A Partial Differential Equation: The Advection–Diffusion Equation, Jonah A. Reeger

Faculty Publications

A growing body of literature has been leveraging techniques of machine learning (ML) to build novel approaches to approximating the solutions to partial differential equations. Noticeably absent from the literature is a systematic exploration of the stability of the solutions generated by these ML approaches. Here, a recurrent network is introduced that matches precisely the evaluation of a multi-step method paired with a collocation method for approximating spatial derivatives in the advection–diffusion equation. This allows for two things: (1) the use of traditional tools for analyzing the stability of a numerical method for solving PDEs and (2) bringing to bear …

Religious Bias In Llms Is Significantly Understudied, Sheryl Carty, Nancy Fulda, Walter Reade

Faculty Publications

In the earlier years of development of LLMs, it was relatively easy to prompt an LLM to respond with toxic or biased statements about religion. Subsequent improvements in frontier models addressed many of the issues of bias and toxicity in general, including against religion. At the same time, the adoption and usage of these models has grown exponentially. Small and implicit biases, therefore, have a magnified overall impact. In this paper, we (1) briefly review previous efforts to measure religious bias in LLMs, (2) show, by reviewing over 12,000 papers dealing with bias in LLMs, that religious bias has been …

Comparative Analysis Of Task Scheduling In Multi-Tier Fog-Cloud Computing: From Classical Approaches To Greedy Multi-Objective Optimization, Zafril Rizal M. Azmi, Najmul Haque, Saydul Akbar Murad

Faculty Publications

Fog computing extends cloud services to the network edge, enabling low-latency processing for time-sensitive applications. However, scheduling complexity significantly increases due to heterogeneous resources, dynamic workloads, and strict Quality-of-Service (QoS) constraints. Although numerous scheduling techniques have been proposed, existing studies often assess only a narrow subset of algorithms or rely on offline metaheuristics unsuitable for real-time environments. This paper presents a comprehensive comparative evaluation of twelve scheduling algorithms, including five classical, one heuristic, and six metaheuristic-inspired approaches, within a realistic 20-node multi-tier fog-cloud topology. Across 1,365 experiments spanning seven utilization levels, we analyze each algorithm’s deadline adherence, load distribution, and …

Analysis And Machine Learning Adaptation Of A Cognitive Model For Human Memory, Trevor Cross, Aihua W. Wood

Faculty Publications

In this paper, we use the Duolingo SLAM dataset to analyze several cognitive models of second language acquisition and develop new approaches for enhanced performance. In particular, we consider the Predictive Performance Equation and some of its underlying power laws. Leveraging insights from machine learning, we develop simple one-feature models as building blocks for combined models that match or in certain cases outperform the existing models at much reduced computational cost. In addition, a neural network with one fully connected hidden layer is constructed that outperforms all other models on sufficiently large datasets.

Active Learning Of Constraint Boundaries Using Expected Magnitude Of Incorrectness And Neural Networks, Atticus Beachy, Ramana V. Grandhi

Faculty Publications

This research proposes an acquisition function for constraint boundary identification, with applications to hypersonic air vehicles. Hypersonic vehicles endure extreme thermal loads caused by aerodynamic heating, resulting in a strong coupling between structural performance and aerothermodynamics. However, modeling coupled system behaviors requires simultaneous consideration of both aerodynamic and structural design variables, increasing the dimensionality of the design trade space and the difficulty of accurately modeling the constraints. Several active learning schemes have been proposed to accelerate identification of the composite feasible region that satisfies all constraints. Some of these require integrating the surrogate model over the entire design space with …

Does Patient History Influence Capsular Contracture? An Exploratory Analysis With Machine Learning, Thomas M. Johnstone, Daniel Najafali, Jennifer K. Shaw, Justin M. Camacho, Chancellor Johnstone, Rahim S. Nazerali, Gordon K. Lee

Faculty Publications

Background: Capsular contracture (CC) is a frequent and distressing complication of breast augmentation and reconstruction. Although numerous patient-, surgical-, and implant-related risk factors have been proposed, reliable population-level predictors remain inconsistent across studies. This study evaluates whether administrative medical history, as encoded by ICD and CPT codes, contains sufficient predictive signal to identify patients at risk for CC using machine learning. Methods: Patients were queried from the MerativeTM MarketScan® Research Databases from 2003 to 2017 with CPT codes for implant-based breast reconstruction and augmentation. ICD codes were then used to identify all events and conditions of a patient’s history. Hyperparameter-tuned …

Panda-Plus-Bench: A Clinical Benchmark For Evaluating The Robustness Of Ai Foundation Models In Prostate Cancer Diagnosis, Joshua L. Ebbert, Dennis Della Corte

Faculty Publications

Artificial intelligence foundation models are increasingly deployed for prostate cancer Gleason grading, where GP3/GP4 distinction directly impacts treatment decisions (active surveillance vs. intervention). However, these models may achieve high validation accuracy by learning specimen-specific artifacts rather than generalizable biological features, limiting real-world clinical utility. We introduce PANDA-PLUS-Bench, a curated benchmark dataset derived from expertly annotated prostate biopsies designed specifically to quantify this failure mode. The benchmark comprises nine carefully selected whole slide images from nine unique patients containing diverse Gleason patterns, with non-overlapping tissue patches extracted at both 512 × 512 and 224 × 224-pixel resolutions across eight augmentation conditions. …

Operational Responsibility In Ai Governance: A User-Centric Liability Framework, Zhengyang Chen

Faculty Publications

Who bears responsibility when artificial intelligence systems cause harm? This question has become central to AI ethics and governance. Most existing approaches focus on developers, yet this faces serious practical and theoretical problems. Drawing on tort law, agency law, and philosophy of technology, this paper argues that AI should be understood as an instrument whose outputs remain the responsibility of human operators rather than developers. We call this 'user-centric governance.' Placing accountability with deployers promotes public trust by creating clear lines of responsibility, a concern that governance approaches have often overlooked. It preserves democratic accountability by keeping human actors answerable …

Analogy2kg: An Automatic Pipeline For Deriving Knowledge Graphs From Long-Text Analogies, Kara Combs, Lance E. Champagne, Bruce A. Cox, Christine M. Schubert Kabban, Trevor Bihl, Grace Lemming

Faculty Publications

Analogical reasoning is an increasingly popular, lightweight solution to enable large language model (LLM)-level reasoning without computational complexity. Still, it has yet to be adopted due to its reliance on strictly hand-formatted data. Therefore, we propose Analogy2KG (“Analogy to Knowledge Graph”), as an automatic pipeline that transforms text into a KG format via a fine-tuned version of information extraction (IE) algorithms for long-text analogies. The need to verify that the complex underlying analogical structure of the data is maintained was done via paired samples tests in the creation and validation of this pipeline. Graph density was used to evaluate the …

Impediments To Transforming The Healthcare Delivery System: Shifting The Paradigm From Provider Centric To Patient Centric, Elizabeth A. Regan, Manasa Devi Chinta

Faculty Publications

Introduction: 

Stated aims for digital healthcare transformation frequently cite goals for better coordinated patient-centric systems. However, despite advances in medical science, digital technologies, health policies, and billions of dollars invested over the past 25 years, most healthcare providers are far from fully realizing the demonstrated benefits of today's digital technologies for improving patient care. Sharing information across healthcare systems remains challenging. Problems with fragmentation, quality, inequities, and rising costs of care delivery persist. A recent study of 1,026 U.S. hospital systems found that only 15.8 percent achieved a digital maturity level needed to provide digitally enabled healthcare services to better …

Transfer Learning Neural Networks For Nuclear Forensic Image Morphology Using Image Splitting Techniques, Niko A. Petrocelli, Lee C. Lambert, Brett J. Borghetti, Abigail A. Bickley

Faculty Publications

Manual morphological analysis of actinide particles from scanning electron microscope (SEM) imagery is a critical component of nuclear forensics but is prone to significant inter-analyst variability. To address this challenge, this work develops and evaluates an automated classification method using deep learning. We introduce a methodology based on partitioning 1906 SEM images, representing 13 classes of uranium compounds, into smaller patches for analysis. Three convolutional neural network (CNN) architectures of increasing complexity were compared: a custom baseline CNN, a simple transfer learning model using ResNet50v1, and a complex model featuring hierarchical feature extraction and a spatial attention mechanism built upon …

Future Trends In Cybersecurity: A Meta-Review, Yara Mohammed, Manar Alsaid, Gahangir Hossain

Faculty Publications

The increasing importance of cybersecurity in protecting digital assets, data and infrastructures necessitates a reevaluation of research priorities within the discipline. As of today, numerous emerging cybersecurity topics are gaining significant importance in both academic research and industry applications. To identify recent trends in cybersecurity topics, this study extracts scholarly articles from two prestigious academic databases, the ACM Digital Library, and Google Scholar, covering the period from early 2015 to late 2024.Through a systematic identification of trends and focal points in cybersecurity research, a comprehensive analysis is facilitated, including Latent Dirichlet Allocation (LDA), Biterm Topic Modeling (BTM), keyword frequencies, and …

Pdr-Stgcn: An Enhanced Stgcn With Multi-Scale Periodic Fusion And A Dynamic Relational Graph For Traffic Forecasting, Jie Hu, Bingbing Tang, Langsha Zhu, Yiting Li, Jianjun Hu, Guanci Yang

Faculty Publications

Accurate traffic flow prediction is a core component of intelligent transportation systems, supporting proactive traffic management, resource optimization, and sustainable urban mobility. However, urban traffic networks exhibit heterogeneous multi-scale periodic patterns and time-varying spatial interactions among road segments, which are not sufficiently captured by many existing spatio-temporal forecasting models. To address this limitation, this paper proposes PDR-STGCN (Periodicity-Aware Dynamic Relational Spatio-Temporal Graph Convolutional Network), an enhanced STGCN framework that jointly models multi-scale periodicity and dynamically evolving spatial dependencies for traffic flow prediction. Specifically, a periodicity-aware embedding module is designed to capture heterogeneous temporal cycles (e.g., daily and weekly patterns) and …

Reformulation Of The Protein Databank For Real-Time Search Of Geometrical Attributes Of Protein Structures, Musa Azeem, Christopher Lee, Aaron Hein, Christopher Ott, Homayoun Valafar

Faculty Publications

Introduction:

In this study, we introduce the design and implementation of PDBMine, a large-scale, queryable platform for mining sequence-structure statistics from the Protein Data Bank (PDB). PDBMine enables rapid analysis of local conformational trends across proteins by extracting dihedral angles and sequence patterns at scale. In addition to the design and implementation of PDBMine, we also present results validating its ability to return structurally meaningful information.

Methods:

We first assess the accuracy of its dihedral angle distributions by comparing them to established Ramachandran space and verifying expected behaviors of residues such as glycine and proline. We then use PDBMine to …

Reinforcement Learning-Enabled Control And Design Of Rigid-Link Robotic Fish: A Comprehensive Review, Nhat Dinh, Darion Vosbein, Yuehua Wang, Qingsong Cui

Faculty Publications

With the rising demand for maritime surveys of infrastructure, energy resources, and environmental conditions, autonomous robotic fish have emerged as a promising solution with their biomimetic propulsion, agile motion, efficiency, and capacity for underwater inspection, monitoring, data collection, and exploration tasks in complex aquatic environments. Inspired by fish spines, rigid-link fish robots (RLFRs), a category of robotic fish, are widely utilized in robotics research and applications. Their rigid, actuated joints enable them to reproduce the undulatory locomotion and high maneuverability of biological fishes, while the modular nature of rigid links between joints makes them cost-effective and easy to assemble. This …

A Comprehensive Survey On Facial Expression Generation: From Gans To Llm-Guided Multimodal Models, Murad Hasan, Rabab Abdelfattah, Kareem Abdelfatah, Mostafa Fouda, Ahmed Sherif

Faculty Publications

Facial expression generation (FEG) has emerged as a vital area in human–computer interaction, virtual avatars, and affective computing, aiming to synthesize natural and expressive facial behaviors across diverse interaction contexts. This survey presents a comprehensive analysis of recent advances in FEG, organized into six key paradigms: speech-driven expression generation, facial reaction generation, face video generation, facial animation, avatar-based generation, and text-driven expression generation. We review a wide range of model architectures, including VQ-VAEs, Generative Adversarial Networks (GANs), 3D Morphable Models (3DMMs), Transformers, and diffusion-based approaches, and compare their performance using commonly adopted evaluation metrics such as Fréchet Distance (FD), Peak …

Panda-Plus: Improved Dataset Of Prostate Whole Slide Images From Panda Challenge With Pixel-Level Expert Annotations, Spencer Hopson, Carson Mildon, Corbyn Kubalek, Joshua L. Ebbert, Ryan Vance, Lauren Laverty, Paul Urie, Dennis Della Corte

Faculty Publications

Artificial intelligence (AI)-based prostate cancer detection through whole slide images (WSIs) offers promising potential to address the global pathologist shortage while improving clinical consistency. Digital slides and improving image analysis methods encourage the creation of tools to aid in WSI classification. Despite promising advances, these tools are still limited by available training data. Current publicly available datasets, such as Kaggle's PANDA Challenge, while large in scale, rely on slide-level labels that may introduce noise and limit model reliability. Others contain detailed annotations, but are smaller in size due to manual processing efforts. In this work, we introduce PANDA-PLUS, a 546-image …

Amp: Single-Shot Ultra-Wide Fisheye-To-Cubemap Pnp Pose Estimation, Ryan M. Raettig, Richard R. Nyquist, Scott L. Nykl, Clark N. Taylor, Christine M. Schubert Kabban

Faculty Publications

Estimating the position and orientation of a rigid object from an image is critical for situational awareness in robotics and autonomous systems. This study explores relative pose estimation using an ultra-wide fisheye camera for unmanned aircraft inspection vehicles. Ultra-wide fisheye lenses introduce radial distortion and capture features beyond the rectilinear image plane, rendering rectilinear Perspective-n-Point (PnP) algorithms inadequate. Designing a bespoke ultra-wide fisheye localization algorithm requires consideration of both the feature detection method and the pose estimator itself. This study proposes a novel method that combines (1) a fisheye-to-cubemap reprojection, (2) a You Only Look Once (YOLO) convolutional neural network …

Chronosort: Revealing Hidden Dynamics In Alphafold3 Structure Predictions, Matthew J. Argyle, William P. Heaps, Corbyn Kubalek, Spencer Gardiner, Bradley C. Bundy, Dennis Della Corte

Faculty Publications

Protein function emerges from dynamic conformational changes, yet structure prediction methods provide only static snapshots. While AlphaFold3 (AF3) predicts protein structures, the potential for extracting dynamic information from its ensemble predictions has remained underexplored. Here, we demonstrate that AF3 structural ensembles contain substantial dynamic information that correlates remarkably well with molecular dynamics simulations (MD). We developed ChronoSort, a novel algorithm that organizes static structure predictions into temporally coherent trajectories by minimizing structural differences between neighboring frames. Through systematic analysis of four diverse protein targets, we show that root-mean-square fluctuations derived from AF3 ensembles can correlate strongly with those from MD …

Applying Machine Learning Methods To Laser Acceleration Of Protons: Synthetic Data For Exploring The High Repetition Rate Regime, John J. Felice, Ronak Desai, Nathaniel Tamminga, Joseph R. Smith, Alona Kryshchenko, Christopher M. Orban, Michael L. Dexter, Anil K. Patnaik

Faculty Publications

Advances in ultra‐intense laser technology have increased repetition rates and average power for chirped‐pulse laser systems, which offer a promising solution for many applications including energetic proton sources. An important challenge is the need to optimize and control the proton source by varying some of the many degrees of freedom inherent to the laser‐plasma interactions. Machine learning can play an important role in this task, as our work examines. Building on our earlier work in Desai et al. 2024, we generate a large ∼1.5 million data point synthetic data set for proton acceleration using a physics‐informed analytic model that we …

Deep Learning Based Contactless Fingerprint Identification, Mohammad Alsmirat, M. Moneb Khaled, Aghyad A.L. Sayadi

Faculty Publications

Biometric authentication systems, particularly contactless fingerprint methods, offer enhanced security and convenience across various domains like access control, law enforcement, and finance. Despite these advantages, contactless systems face significant challenges related to image quality, finger orientation, and environmental factors. To address this, our paper presents the first extensive deep learning-based study on contactless fingerprint recognition using a large dataset of 2,143 images from 175 individuals. Our proposed approach integrates state-of-the-art preprocessing techniques with deep learning models to boost identification performance. After studying various transfer learning models, we achieved a high accuracy of 93.5%. We also conducted two further studies on …

Detecting Polar Ring Galaxies Via Deep Learning, Fawad Kirmani, Anathavishnu S. Unnii, Varsha P. Kulkarni, Kyle Lackey, John R. Rose

Faculty Publications

Polar ring galaxies (PRGs) are peculiar galaxies that show a ring of stars, gas, and dust oriented roughly over the poles of the central ‘host’ galaxy (i.e. roughly orthogonal to the disc of the host galaxy). The formation models for these rings involve mergers or tidal interactions of the host galaxy with another galaxy. Although the identified PRGs look different from each other, they all have a ring that is not in the same plane as the disc of the host galaxy. Unlike in galaxies such as our Milky Way, where stars form in spiral arms, the rings exemplify an …

Better Digital Contracts With Prosocial Friction-In-Design, Brett Frischmann, Moshe Y. Vardi

Faculty Publications

Contract law is supposed to enable people to reach genuine agreements and cooperate. If this ideal was ever a reality, the rise of mass market contracts and boil­erplate rendered it pure fiction. Modern consumer contracts are incomprehensible to most people. No one reads them anyway.

Digital contracting involves design features that amplify traditional boilerplate harms and create others. For example, digital contracting is too cheap; low marginal costs lead to overexpansion in scale and scope. To make matters worse, the loss of autonomy from repeat engagement with digital contracting systems is pernicious. People become increasingly predictable and programmable as digital …

Polymorphism Crystal Structure Prediction With Adaptive Space Group Diversity Control, Sadman Saadeed Omee, Lai Wei, Jianjun Hu

Faculty Publications

Crystalline materials can form different structural arrangements (i.e., polymorphs) with the same chemical composition, exhibiting distinct physical properties depending on how they are synthesized or the conditions under which they operate. For example, carbon can exist as graphite (soft, conductive) or diamond (hard, insulating). Computational methods that can predict these polymorphs are vital in materials science, which help understand stability relationships, guide synthesis efforts, and discover new materials with desired properties without extensive trial-and-error experimentation. However, effective crystal structure prediction (CSP) algorithms for inorganic polymorph structures remain limited. ParetoCSP2 is proposed, a multi-objective genetic algorithm for polymorphism CSP that incorporates …

Microarchitectural Malware Detection Via Translation Lookaside Buffer (Tlb) Events, Cristian Agredo, Daniel F. Koranek, Christine M. Schubert Kabban, Jose R. Gutierrez Del Arroyo, Scott R. Graham

Faculty Publications

Prior work has shown that Translation Lookaside Buffer (TLB) data contains valuable behavioral information. Many existing methodologies rely on timing features or focus solely on workload classification. In this study, we propose a novel approach to malware classification using only TLB-related Hardware Performance Counters (HPCs), explicitly excluding any dependence on timing features such as task execution duration or memory access timing. Our methodology evaluates whether TLB data alone, without any timing information, can effectively distinguish between malicious and benign programs. We test this across three classification scenarios: (1) A binary classification problem involving distinguishing malicious from benign tasks, (2) a …

Exact And Approximate Conformal Inference For Multi-Output Regression, Chancellor Johnstone, Eugene Ndiaye

Faculty Publications

It is common in machine learning to estimate a response y given covariate information x . However, these predictions alone do not quantify any uncertainty associated with said predictions. One way to overcome this deficiency is with conformal inference methods, which construct a set containing the unobserved response with a prescribed probability. Unfortunately, even with a one-dimensional response, conformal inference is computationally expensive despite recent encouraging advances. In this paper, we explore multi-output regression, delivering exact derivations of conformal inference p-values when the predictive model can be described as a linear function of y . Additionally, we introduce a multivariate …

Feasibility Evaluation Of Secure Offline Large Language Models With Retrieval-Augmented Generation For Cpu-Only Inference, Erick Tyndall, Torrey J. Wagner, Colleen Gayheart, Alexandre Some, Brent T. Langhals

Faculty Publications

Recent advances in large language models and retrieval-augmented generation, a method that enhances language models by integrating retrieved external documents, have created opportunities to deploy AI in secure, offline environments. This study explores the feasibility of using locally hosted, open-weight large language models with integrated retrieval-augmented generation capabilities on CPU-only hardware for tasks such as question answering and summarization. The evaluation reflects typical constraints in environments like government offices, where internet access and GPU acceleration may be restricted. Four models were tested using LocalGPT, a privacy-focused retrieval-augmented generation framework, on two consumer-grade systems: a laptop and a workstation. A technical …

Impact Of Retrieval Augmented Generation And Large Language Model Complexity On Undergraduate Exams Created And Taken By Ai Agents, Erick S. Tyndall, Colleen Gayheart, Alexandre Some, Joseph Genz, Torrey J. Wagner, Brent T. Langhals

Faculty Publications

The capabilities of large language models (LLMs) have advanced to the point where entire textbooks can be queried using retrieval-augmented generation (RAG), enabling AI to integrate external, up-to-date information into its responses. This study evaluates the ability of two OpenAI models, GPT-3.5 Turbo and GPT-4 Turbo, to create and answer exam questions based on an undergraduate textbook. 14 exams were created with four true-false, four multiple-choice, and two short-answer questions derived from an open-source Pacific Studies textbook. Model performance was evaluated with and without access to the source material using text-similarity metrics such as ROUGE-1, cosine similarity, and word embeddings. …