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Articles 61 - 90 of 173

Full-Text Articles in Data Science

Neural Topic Modeling Via Contextual And Graph Information Fusion, Jiyuan Liu, Jiaxing Yan, Chunjiang Zhu, Xingyu Liu, Qing Li, Yanghui Rao Jan 2025

Neural Topic Modeling Via Contextual And Graph Information Fusion, Jiyuan Liu, Jiaxing Yan, Chunjiang Zhu, Xingyu Liu, Qing Li, Yanghui Rao

Computer Science Faculty Publications

Topic modeling is a powerful unsupervised tool for knowledge discovery. However, existing work struggles with generating limited-quality topics that are uninformative and incoherent, which hindering interpretable insights from managing textual data. In this paper, we improve the original variational autoencoder framework by incorporating contextual and graph information to address the above issues. First, the encoder utilizes topic fusion techniques to combine contextual and bag-of-words information well, and meanwhile exploits the constraints of topic alignment and topic sharpening to generate informative topics. Second, we develop a simple word co-occurrence graph information fusion strategy that efficiently increases topic coherence. On three benchmark …


Decode The Workload: Training Deep Learning Models For Efficient Compute Cluster Representation, Ahmed Hossam Mohammed, Mark Jones, Diana Mcspadden, Malachi Schram, Bryan Hess, Kishansingh Rajput Jan 2025

Decode The Workload: Training Deep Learning Models For Efficient Compute Cluster Representation, Ahmed Hossam Mohammed, Mark Jones, Diana Mcspadden, Malachi Schram, Bryan Hess, Kishansingh Rajput

Computer Science Faculty Publications

In this study, we address the mounting challenge of monitoring high throughput computing clusters running computationally intensive jobs, which increasingly strains system administrators. We develop autoencoders that analyze traces of Linux kernel CPU metrics to capture salient system features by producing robust compressed embeddings for various downstream tasks. In addition, we employ graph neural networks to incorporate contextual information from surrounding CPUs and assess their performance. We also demonstrate the enhanced job differentiation achieved by increasing the sampling rate of these traces. Our models are evaluated based on their ability to generate meaningful latent representations, detect anomalies, and distinguish between …


S²Il: Structurally Stable Incremental Learning, S. Balasubramanian, P. Yedu Krishna, Talasu Sai Sriram, M. Sai Subramaniam, Manepalli Pranav Phanindra Sai, Ravi Mukkamala Jan 2025

S²Il: Structurally Stable Incremental Learning, S. Balasubramanian, P. Yedu Krishna, Talasu Sai Sriram, M. Sai Subramaniam, Manepalli Pranav Phanindra Sai, Ravi Mukkamala

Computer Science Faculty Publications

Feature Distillation (FD) strategies are proven to be effective in mitigating Catastrophic Forgetting (CF) seen in Class Incremental Learning (CIL). However, current FD approaches enforce strict alignment of feature magnitudes and directions across incremental steps, limiting the model’s ability to adapt to new knowledge. In this paper, we propose Structurally Stable Incremental Learning (S²IL), a FD method for CIL that mitigates forgetting by focusing on preserving the overall spatial patterns of features which promote flexible (plasticity) yet stable representations that preserve old knowledge (stability). We also demonstrate that our proposed method S²IL achieves strong incremental accuracy and outperforms other FD …


Effective Pii Extraction From Llms Through Augmented Few-Shot Learning, Shuai Cheng, Shu Meng, Haitao Xu, Haoran Zhang, Shuai Hao, Chuan Yue, Wenrui Ma, Meng Han, Fang Zhang, Zhao Li Jan 2025

Effective Pii Extraction From Llms Through Augmented Few-Shot Learning, Shuai Cheng, Shu Meng, Haitao Xu, Haoran Zhang, Shuai Hao, Chuan Yue, Wenrui Ma, Meng Han, Fang Zhang, Zhao Li

Computer Science Faculty Publications

Large Language Models (LLMs) exhibit strong natural language processing capabilities but also pose significant privacy risks, particularly regarding the leakage of Personally Identifiable Information (PII) embedded in their training data. Existing PII extraction methods suffer from the limitations of low success rates or impracticality for large-scale PII extraction. In this study, we propose a novel PII extraction approach based on enhanced few-shot learning techniques, which achieves efficient and cost-effective PII retrieval without relying on fine-tuning or jailbreaking. We evaluated our approach on both open-source and closed-source LLMs. The experimental results demonstrate that, for non-targeted PII extraction, the attack success rate …


Energy-Based Deep Incomplete Multi-View Clustering, Ziyu Wang, Yiming Du, Rui Ning, Lusi Li Jan 2025

Energy-Based Deep Incomplete Multi-View Clustering, Ziyu Wang, Yiming Du, Rui Ning, Lusi Li

Computer Science Faculty Publications

Incomplete multi-view clustering (IMVC) deals with real-world scenarios where certain views are partially missing, posing significant challenges to effective clustering. Most existing IMVC approaches face a trade-off: imputation-free methods suffer from information bias and imbalance, while full-imputation methods risk introducing and propagating noise. To overcome these limitations, we propose Energy-Based Deep Incomplete Multi-View Clustering (Energy-DIMC), a novel selective-imputation framework that leverages energy-based models (EBMs) to guide reliable imputations and robust clustering. EBMs assess data compatibility by assigning lower energy to more coherent structures, effectively modeling complex inter-view and inter-sample dependencies. Inspired by EBMs, Energy-DIMC integrates four key components: 1) a …


Icu-Length Of Stay Prediction On Electronic Health Records Using Graph Neural Networks And Homogeneous Similarity Graphs, Ahmad F. Al Musawi, Pratip Rana, Sibtanu Raha, Joshua Braunstein, William C. Sleeman Iv, Rishabh Kapoor, Preetam Ghosh Jan 2025

Icu-Length Of Stay Prediction On Electronic Health Records Using Graph Neural Networks And Homogeneous Similarity Graphs, Ahmad F. Al Musawi, Pratip Rana, Sibtanu Raha, Joshua Braunstein, William C. Sleeman Iv, Rishabh Kapoor, Preetam Ghosh

Computer Science Faculty Publications

Predicting the length of stay (LoS) is important for hospital administration, as it helps allocate proper resources, such as bed management and hospital staffing. Patients' Electronic Health Records (EHRs) contain highly relevant data for LoS prediction; however, their integration and effective use in predictive modeling for accurately estimating LoS remain challenging. To address this, we propose a homogeneous Graph Neural Network (GNN)-based framework for predicting LoS. This method employs a comprehensive data fusion strategy based on the hospital Visit-based Similarity Graph (VSG), which integrates diverse multi-modal clinical features into a coherent, homogeneous graph representation. Next, this VSG is fed into …


Digital Humanities: Using Computational Methods On Literature To Understand Human-Water Relations, Ariel Yang Nov 2024

Digital Humanities: Using Computational Methods On Literature To Understand Human-Water Relations, Ariel Yang

Cybersecurity Undergraduate Research Showcase

By using computational techniques to analyze literature, deeper insights can be gained into human-water relationships across different historical and cultural contexts. Natural Language Processing (NLP) and other data science methods can explore applications of traditional ecological knowledge (TEK) and underlying emotions or beliefs in literature to help understand sustainability. Protecting this sensitive cultural data through ethical applications can further secure future implementations of policies, urban planning, and environmental relationships.


Undergraduate Data Literacy In Engineering: A Collaborative Approach, Amber Gruszeczka, Nicole Galloway Oct 2024

Undergraduate Data Literacy In Engineering: A Collaborative Approach, Amber Gruszeczka, Nicole Galloway

Libraries Faculty & Staff Presentations

Data literacy is increasingly crucial to research across disciplines, and librarians are diversifying their skills to encourage students’ self-reliance when interacting with data. Two librarians discuss a collaboration across library departments to design instruction and materials to bring the fundamentals of data literacy to a freshman engineering course.


Network Analysis Of Virginia’S Mineralogical Systems, Cadence M. Boucher, Ahmed M. Eleish, Robert M. Hazen, Shaunna M. Morrison Oct 2024

Network Analysis Of Virginia’S Mineralogical Systems, Cadence M. Boucher, Ahmed M. Eleish, Robert M. Hazen, Shaunna M. Morrison

Virginia Journal of Science

The principal objective of this study was to use network analysis to identify spatial, geomorphic, physical, and chemical patterns in Virginia’s mineralogical systems. Mineralogical and locality data from mindat.org were visualized as a bipartite force- directed network of the minerals and the counties of Virginia in which they occur. Mineral nodes were sized to represent the number of counties the minerals are found in (i.e., frequency of occurrence) and county nodes were sized to represent the number of minerals found in that county (i.e., mineral diversity). Furthermore, the nodes were colored to display selected attributes of the mineral-county data. County …


Streaminghub - A Realtime Biosignal Processing Framework For Lab Scale Experimentation, Yasith Jayawardana Jul 2024

Streaminghub - A Realtime Biosignal Processing Framework For Lab Scale Experimentation, Yasith Jayawardana

Computer Science Theses & Dissertations

In human subjects research, biosignals such as eye movements, heart rate, and brain activity, are often collected and analyzed to find patterns with tangible real-world implications. Modern advancements in technology have sparked interest towards analyzing biosignals in realtime. When developing such algorithms, one may expect to find free, open-source tools that provide easy access to live, recorded, and simulated data streams. Yet, biosignal interfaces are often vendor-specific, making cross-vendor biosignal streaming non-trivial. Likewise, reading biosignal datasets is also non-trivial, as their content may be arranged quite differently.

To combat this divide, we provide the scientific community with a realtime biosignal …


The Vulnerabilities Of Artificial Intelligence Models And Potential Defenses, Felix Iov Apr 2024

The Vulnerabilities Of Artificial Intelligence Models And Potential Defenses, Felix Iov

Cybersecurity Undergraduate Research Showcase

The rapid integration of artificial intelligence (AI) into various commercial products has raised concerns about the security risks posed by adversarial attacks. These attacks manipulate input data to disrupt the functioning of AI models, potentially leading to severe consequences such as self-driving car crashes, financial losses, or data breaches. We will explore neural networks, their weaknesses, and potential defenses. We will discuss adversarial attacks including data poisoning, backdoor attacks, evasion attacks, and prompt injection. Then, we will explore defense strategies such as data protection, input sanitization, and adversarial training. By understanding how adversarial attacks work and the defenses against them, …


Improving Educational Delivery And Content In Juvenile Detention Centers, Yomna Elmousalami Mar 2024

Improving Educational Delivery And Content In Juvenile Detention Centers, Yomna Elmousalami

Undergraduate Research Symposium

Students in juvenile detention centers have the greatest need to receive improvements in educational delivery and content; however, they are one of the “truly disadvantaged” populations in terms of receiving those improvements. This work presents a qualitative data analysis based on a focus group meeting with stakeholders at a local Juvenile Detention Center. The current educational system in juvenile detention centers is based on paper worksheets, single-room style teaching methods, outdated technology, and a shortage of textbooks and teachers. In addition, detained students typically have behavioral challenges that are deemed "undesired" in society. As a result, many students miss classes …


Data Driven Trade-Off Analysis For Cybersecurity, Goskel Kucukkaya, Murat Ozer, Murat Balci, Emrah Ugurlu Jan 2024

Data Driven Trade-Off Analysis For Cybersecurity, Goskel Kucukkaya, Murat Ozer, Murat Balci, Emrah Ugurlu

Engineering Management & Systems Engineering Faculty Publications

Trade-off analysis, a specialization of systems engineering, addresses design criteria like security, cost, performance, and compliance. Monte Carlo simulations are commonly employed to generate impact scenarios for trade-off analysis combined with solution alternatives that accommodate industry-specific considerations and uncertainties. In the cyber domain, this paper proposes a methodology for data-driven trade-off analysis in cybersecurity, leveraging industry reports as primary data sources using confidentiality, integrity, and availability as trade-off analysis objectives. Distribution functions are derived to manage and model uncertainties for various industries. The approach given in this study aims to facilitate informed choices and to enhance cybersecurity decision making and …


Data Science In Finance: Challenges And Opportunities, Xianrong Zheng, Elizabeth Gildea, Sheng Chai, Tongxiao Zhang, Shuxi Wang Jan 2024

Data Science In Finance: Challenges And Opportunities, Xianrong Zheng, Elizabeth Gildea, Sheng Chai, Tongxiao Zhang, Shuxi Wang

Information Technology & Decision Sciences Faculty Publications

Data science has become increasingly popular due to emerging technologies, including generative AI, big data, deep learning, etc. It can provide insights from data that are hard to determine from a human perspective. Data science in finance helps to provide more personal and safer experiences for customers and develop cutting-edge solutions for a company. This paper surveys the challenges and opportunities in applying data science to finance. It provides a state-of-the-art review of financial technologies, algorithmic trading, and fraud detection. Also, the paper identifies two research topics. One is how to use generative AI in algorithmic trading. The other is …


Optimal Network Analysis Through Vertex Order Coloring Of Intuitionistic Fuzzy Graph Operations, A. Meenakshi, S. Dhanushiya, Hong Qin, Maniyandy Elangovan Jan 2024

Optimal Network Analysis Through Vertex Order Coloring Of Intuitionistic Fuzzy Graph Operations, A. Meenakshi, S. Dhanushiya, Hong Qin, Maniyandy Elangovan

Data Science Faculty Publications

Intuitionistic fuzzy graphs IFGs are a powerful tool for modeling uncertainty and complex relationships. They offer versatile frameworks for addressing real-world challenges. In this research, we have introduced intuitionistic fuzzy vertex order coloring IFVOC and analyzed the alpha-strong (alpha str), beta-strong (beta str), and gamma-strong (gamma str) vertices through their degree. We explored important theorems based on the types of strong vertices, broadening the scope of our study. We analyzed multiple IFG products to determine the most optimal network based on some important metrics, including the weight and total number of alpha str vertices, the chromatic number, and the weight …


Efficiently Learning An Encoder That Classifies Token Replacements And Masked Permuted Network-Based Bigru Attention Classifier For Enhancing Sentiment Classification Of Scientific Text, Muhammad Inaam Ul Haq, Khalid Mahmood, Qianmu Li, Ashok Kumar Das, Sachin Shetty, Majid Hussain Jan 2024

Efficiently Learning An Encoder That Classifies Token Replacements And Masked Permuted Network-Based Bigru Attention Classifier For Enhancing Sentiment Classification Of Scientific Text, Muhammad Inaam Ul Haq, Khalid Mahmood, Qianmu Li, Ashok Kumar Das, Sachin Shetty, Majid Hussain

VMASC Publications

The exponential growth of scientific literature in digital repositories poses challenges in interpreting complex attitudes within academic texts. Traditional sentiment analysis methods often struggle with nuanced word meanings due to contextual variations. To address this, we propose the Electra-MPNet-based BiGRU attention classifier that extracts the high-level semantic features from citation sentences using the combined strength of Electra and MPNet encoder layers. These features are then combined to extract long-range dependencies through a stacked BiGRU layer. A linear attention mechanism is imposed to estimate the attention weights and context vector which enables the model to selectively focus on relevant information. The …


Methods That Support The Validation Of Agent-Based Models: An Overview And Discussion, Andrew Collins, Matthew Koehler, Christopher Lynch Jan 2024

Methods That Support The Validation Of Agent-Based Models: An Overview And Discussion, Andrew Collins, Matthew Koehler, Christopher Lynch

Engineering Management & Systems Engineering Faculty Publications

Validation is the process of determining if a model adequately represents the system under study for the model’s intended purpose. Validation is a critical component in building the credibility of a simulation model with its end-users. Effectively conducting validation can be a daunting task for both novice and experienced simulation developers. Further compounding the difficult task of conducting validation is that there is no universally accepted approach for assessing a simulation. These challenges are particularly relevant to the paradigm of Agent-Based Modeling and Simulation (ABMS) because of the complexity found in these models’ mechanisms and in the real-world situations they …


In Pursuit Of Consumption-Based Forecasting, Charles Chase, Kenneth B. Kahn Jan 2024

In Pursuit Of Consumption-Based Forecasting, Charles Chase, Kenneth B. Kahn

Marketing Faculty Publications

[Introduction] Today's most mature, most sophisticated, best-in-class forecasting is what we call consumption-based forecasting (CBF). In contrast, the least sophisticated companies typically do not forecast at all, but rather set financial targets based on management expectations. Companies beginning to use statistical forecasting techniques usually take a supply-centric orientation, relying on time series techniques applied to shipment and/or order history. The next stage of progression is to incorporate promotions data, economic data, and market data alongside supply-centric data so that regression and other advanced analytics can be used. Companies pursing CBF utilize even more advanced capabilities to capture, examine, and understand …


Teaching Analytics Online: A Self-Study Of Professional Practice, Andrew J. Collins, Brandon Butler, James F. Leathrum Jr., Christopher J. Lynch Jan 2024

Teaching Analytics Online: A Self-Study Of Professional Practice, Andrew J. Collins, Brandon Butler, James F. Leathrum Jr., Christopher J. Lynch

Engineering Management & Systems Engineering Faculty Publications

As the COVID-19 pandemic caused severe disruption to education enterprises throughout the world, the main response by educational institutions was to move to online learning environments. The purpose of this study was to understand better how instructors could improve online learning for a professional-level week-long short course in a highly technical area (data analytics), which had, pre-COVID, been a hands-on computer, laboratory-based learning experience. The authors used self-study of professional practice to elicit and understand the major issues and concerns of the transition to an online learning environment. Under the guidance of a colleague in teacher education, three course instructors …


Federated Learning: Overview, Strategies, Applications, Tools And Future Directions, Betul Yurdem, Murat Kuzlu, Mehmet Kemal Gullu, Maliha Tabassum Jan 2024

Federated Learning: Overview, Strategies, Applications, Tools And Future Directions, Betul Yurdem, Murat Kuzlu, Mehmet Kemal Gullu, Maliha Tabassum

Engineering Technology Faculty Publications

Federated learning (FL) is a distributed machine learning process, which allows multiple nodes to work together to train a shared model without exchanging raw data. It offers several key advantages, such as data privacy, security, efficiency, and scalability, by keeping data local and only exchanging model updates through the communication network. This review paper provides a comprehensive overview of federated learning, including its principles, strategies, applications, and tools along with opportunities, challenges, and future research directions. The findings of this paper emphasize that federated learning strategies can significantly help overcome privacy and confidentiality concerns, particularly for high-risk applications.


A Benchmark Framework For Data Visualization And Explainable Ai (Xai), Murat Kuzlu, Gokcen Ozdemir, Umut Ozdemir Jan 2024

A Benchmark Framework For Data Visualization And Explainable Ai (Xai), Murat Kuzlu, Gokcen Ozdemir, Umut Ozdemir

Engineering Technology Faculty Publications

This research introduces a benchmark framework, called EDUMX, designed for machine learning (ML)-based forecasting and XAI tasks, leveraging the Streamlit open-source Python library. The framework offers a comprehensive suite of functionalities, including data loading, feature selection, relationship analysis, data preprocessing, model selection, metric evaluation, training, and real-time monitoring. Users can easily upload data in diverse formats, explore relationships between variables, preprocess data using various techniques, and assess the performance of the ML model using customizable metrics. With its user-friendly interface, this framework offers invaluable insights for forecasting tasks in various domains, catering to the evolving needs of predictive analytics. EDUMX …


Testing Informativeness Of Covariate-Induced Group Sizes In Clustered Data, Hasika K. Wickrama Senevirathne, Sandipan Duttta Jan 2024

Testing Informativeness Of Covariate-Induced Group Sizes In Clustered Data, Hasika K. Wickrama Senevirathne, Sandipan Duttta

Mathematics & Statistics Faculty Publications

Clustered data are a special type of correlated data where units within a cluster are correlated while units between different clusters are independent. The number of units in a cluster can be associated with that cluster’s outcome. This is called the informative cluster size (ICS), which is known to impact clustered data inference. However, when comparing the outcomes from multiple groups of units in clustered data, investigating ICS may not be enough. This is because the number of units belonging to a particular group in a cluster can be associated with the outcome from that group in that cluster, leading …


A Copula Discretization Of Time Series-Type Model For Examining Climate Data, Dimuthu Fernando, Olivia Atutey, Norou Diawara Jan 2024

A Copula Discretization Of Time Series-Type Model For Examining Climate Data, Dimuthu Fernando, Olivia Atutey, Norou Diawara

Mathematics & Statistics Faculty Publications

The study presents a comparative analysis of climate data under two scenarios: a Gaussian copula marginal regression model for count time series data and a copula-based bivariate count time series model. These models, built after comprehensive simulations, offer adaptable autocorrelation structures considering the daily average temperature and humidity data observed at a regional airport in Mobile, AL.


Scalar-On-Function Regression: Estimation And Inference Under Complex Survey Designs, Ekaterina Smirnova, Erjia Cui, Lucia Tabacu, Andrew Leroux Jan 2024

Scalar-On-Function Regression: Estimation And Inference Under Complex Survey Designs, Ekaterina Smirnova, Erjia Cui, Lucia Tabacu, Andrew Leroux

Mathematics & Statistics Faculty Publications

Increasingly, large, nationally representative health and behavioral surveys conducted under a multistage stratified sampling scheme collect high dimensional data with correlation structured along some domain (eg, wearable sensor data measured continuously and correlated over time, imaging data with spatiotemporal correlation) with the goal of associating these data with health outcomes. Analysis of this sort requires novel methodologic work at the intersection of survey statistics and functional data analysis. Here, we address this crucial gap in the literature by proposing an estimation and inferential framework for generalizable scalar-on-function regression models for data collected under a complex survey design. We propose to: …


Deapsecure Computational Training For Cybersecurity: Progress Toward Widespread Community Adoption, Wirawan Purwanto, Bahador Dodge, Karina Arcaute, Masha Sosonkina, Hongyi Wu Jan 2024

Deapsecure Computational Training For Cybersecurity: Progress Toward Widespread Community Adoption, Wirawan Purwanto, Bahador Dodge, Karina Arcaute, Masha Sosonkina, Hongyi Wu

Electrical & Computer Engineering Faculty Publications

The Data-Enabled Advanced Computational Training Program for Cybersecurity Research and Education (DeapSECURE) is a non-degree training consisting of six modules covering a broad range of cyberinfrastructure techniques, including high performance computing, big data, machine learning and advanced cryptography, aimed at reducing the gap between current cybersecurity curricula and requirements needed for advanced research and industrial projects. Since 2020, these lesson modules have been updated and retooled to suit fully-online delivery. Hands-on activities were reformatted to accommodate self-paced learning. In this paper, we summarize the four years of the project comparing in-person and on-line only instruction methods as well as outlining …


Beyond Binary: Revealing Variations In Islamophobic Content With Hierarchical Multi-Class Classification, Esraa Aldreabi, Khawlah M. Harahsheh, Mukul Dev Chhangani, Chung-Hao Chen, Jeremy Blackburn Jan 2024

Beyond Binary: Revealing Variations In Islamophobic Content With Hierarchical Multi-Class Classification, Esraa Aldreabi, Khawlah M. Harahsheh, Mukul Dev Chhangani, Chung-Hao Chen, Jeremy Blackburn

Electrical & Computer Engineering Faculty Publications

In the digital age, the rise of Islamophobia-marked by an irrational fear or discrimination against Islam and Muslims-has emerged as a pressing issue, especially on social media platforms. In this paper we employs a multi-class classification system, moving beyond traditional binary models. We categorize Islamophobic content into three main classes and various subclasses, covering a range from subtle biases to explicit incitement. Comparative analysis of data from Reddit and Twitter illuminates the distinct prevalence and types of Islamophobic content specific to each platform. This paper deepens our understanding of digital Islamophobia and provides insights for crafting targeted online counter strategies. …


A Review Of Emerging Sensor Technologies For Tank Inspection: A Focus On Lidar And Hyperspectral Imaging And Their Automation And Deployment, Sergio Pallas Enguita, Chung-Hao Chen, Samuel Kovacic Jan 2024

A Review Of Emerging Sensor Technologies For Tank Inspection: A Focus On Lidar And Hyperspectral Imaging And Their Automation And Deployment, Sergio Pallas Enguita, Chung-Hao Chen, Samuel Kovacic

Electrical & Computer Engineering Faculty Publications

This paper reviews various sensor technologies for tank inspection, focusing on Light Detection and Ranging (LiDAR) and Hyperspectral Imaging (HSI) as advanced solutions for corrosion detection. These technologies are evaluated alongside traditional methods such as ultrasonic, electromagnetic, and thermographic inspections. This review highlights their potential to enhance inspection accuracy, reduce the limitations of manual inspection, and support integrated data analysis for comprehensive asset management. Additionally, this paper proposes a pathway for automating these techniques to streamline inspection processes and improve implementation in practical applications.


Runtime Performance Of Gamess Quantum Chemistry Application Offloaded To Gpus, Masha Sosonkina, Gabriel Mateescu, Peng Xu, Tosaporn Sattasathuchana, Buu Pham, Mark S. Gordon, Sarom S. Leang Jan 2024

Runtime Performance Of Gamess Quantum Chemistry Application Offloaded To Gpus, Masha Sosonkina, Gabriel Mateescu, Peng Xu, Tosaporn Sattasathuchana, Buu Pham, Mark S. Gordon, Sarom S. Leang

Electrical & Computer Engineering Faculty Publications

Computational chemistry is at the forefront of solving urgent societal problems, such as polymer upcycling and carbon capture. The complexity of modeling these processes at appropriate length and time scales is mainly manifested in the number and types of chemical species involved in the reactions and may require models of several thousand atoms and large basis sets to accurately capture the chemical complexity and heterogeneity in the physical and chemical processes. The quantum chemistry package General Atomic and Molecular Electronic Structure System (GAMESS) has a wide array of methods that can efficiently and accurately treat complex chemical systems. In this …


A Benchmark Framework For Data Visualization And Explainable Ai (Xai), Murat Kuzlu, Gokcen Ozdemir, Umut Ozdemir Jan 2024

A Benchmark Framework For Data Visualization And Explainable Ai (Xai), Murat Kuzlu, Gokcen Ozdemir, Umut Ozdemir

Engineering Technology Faculty Publications

This research introduces a benchmark framework, called EDUMX, designed for machine learning (ML)- based forecasting and XAI tasks, leveraging the Streamlit open-source Python library. The framework offers a comprehensive suite of functionalities, including data loading, feature selection, relationship analysis, data preprocessing, model selection, metric evaluation, training, and real-time monitoring. Users can easily upload data in diverse formats, explore relationships between variables, preprocess data using various techniques, and assess the performance of the ML model using customizable metrics. With its user-friendly interface, this framework offers invaluable insights for forecasting tasks in various domains, catering to the evolving needs of predictive analytics. …


Runtime Support For Cpu-Gpu High-Performance Computing On Distributed Memory Platforms, Polykarpos Thomadakis, Nikos Chrisochoides Jan 2024

Runtime Support For Cpu-Gpu High-Performance Computing On Distributed Memory Platforms, Polykarpos Thomadakis, Nikos Chrisochoides

Computer Science Faculty Publications

Hardware heterogeneity is here to stay for high-performance computing. Large-scale systems are currently equipped with multiple GPU accelerators per compute node and are expected to incorporate more specialized hardware. This shift in the computing ecosystem offers many opportunities for performance improvement; however, it also increases the complexity of programming for such architectures. This work introduces a runtime framework that enables effortless programming for heterogeneous systems while efficiently utilizing hardware resources. The framework is integrated within a distributed and scalable runtime system to facilitate performance portability across heterogeneous nodes. Along with the design, this paper describes the implementation and optimizations performed, …