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Microbial Mats In Dinosaur Ichnocoenoses, Nora Noffke, Paul C. Murphey, Roger C. Buntin, Martin G. Lockley Jan 2025

Microbial Mats In Dinosaur Ichnocoenoses, Nora Noffke, Paul C. Murphey, Roger C. Buntin, Martin G. Lockley

OES Faculty Publications

Until now, the significance of microbial mats in preservation of dinosaur tracks and in reconstructing the palaeoenvironment in which dinosaurs roamed was rarely studied. Dinosaur tracks are commonly found close to ancient aquatic bodies where moist sediment had once allowed footstep registration. At such sites, epibenthic or endobenthic microbial mats may have developed as well and may have led to exquisite track preservation. Microbial mats in coastal, lacustrine or flood plain environments cause ‘microbially induced sedimentary structures—MISS’, which are micobialites found in sandy or evaporitic settings. The microbial structures record environmental parameters including meteorological conditions that existed at the time …


High Antarctic Coastal Productivity In Polynyas Revealed By Considering Remote Sensing Ice-Adjacency Effects, Hilde Oliver, Jessica S. Turner, Alexandre Castagna, Henry Houskeeper, Heidi Dierssen Jan 2025

High Antarctic Coastal Productivity In Polynyas Revealed By Considering Remote Sensing Ice-Adjacency Effects, Hilde Oliver, Jessica S. Turner, Alexandre Castagna, Henry Houskeeper, Heidi Dierssen

OES Faculty Publications

Ocean color-based estimates of Antarctic net primary productivity (NPP) have indicated low nearshore productivity in ice-adjacent waters, contrasting with coupled physical–biogeochemical models. To understand this discrepancy, we assessed satellite records of polynya NPP by comparing field data with two satellite imagery datasets derived using different processing schemes. Our results indicate historical underestimation of chlorophyll a for imagery obtained using default atmospheric correction processing within approximately 100 km of ice-covered coastlines due to adjacency effects. Using radiative transfer modeling, we find that biases in ocean color polynya observations due to adjacency effects correspond to the high albedo of ice and snow. …


Core-Top Constraints On The Ecology And Paleothermometry Of Planktic Foraminifera In The Indian Ocean, Ryan H. Glaubke, Elisabeth L. Sikes, Natalie E. Umling, Katherine A. Allen, Matthew W. Schmidt Jan 2025

Core-Top Constraints On The Ecology And Paleothermometry Of Planktic Foraminifera In The Indian Ocean, Ryan H. Glaubke, Elisabeth L. Sikes, Natalie E. Umling, Katherine A. Allen, Matthew W. Schmidt

OES Faculty Publications

The magnesium-to‑calcium ratio (Mg/Ca) of fossil foraminifera is a widely used geochemical proxy for reconstructing past ocean temperatures. Culturing experiments have shown that, for some species, nonthermal influences like salinity and carbonate chemistry play a non-trivial role in the incorporation of Mg into foraminiferal calcite. Inclusion of these variables into Mg/Ca calibrations have provided a better fit to core top and sediment trap data in some recent studies, but the widespread covariation of potential control variables in the open ocean and the lack of multivariate calibrations for some species warrants additional work. Here, we assess Mg/Ca calibrations for four common …


Yucatan Hurricane Activity Highlights Common Era Tropical Cyclone Dipole, Richard M. Sullivan, Peter J. Van Hengstum, Elizabeth J. Wallace, Sloan Coats, Jeffrey P. Donnelly, Robert Korty, Shawna N. Little, Martin G. Maas Vargas, Luis Mejia-Ortiz, Eduard G. Reinhardt, Courtney Schumacher, Anne E. Tamalavage, Tyler S. Winkler Jan 2025

Yucatan Hurricane Activity Highlights Common Era Tropical Cyclone Dipole, Richard M. Sullivan, Peter J. Van Hengstum, Elizabeth J. Wallace, Sloan Coats, Jeffrey P. Donnelly, Robert Korty, Shawna N. Little, Martin G. Maas Vargas, Luis Mejia-Ortiz, Eduard G. Reinhardt, Courtney Schumacher, Anne E. Tamalavage, Tyler S. Winkler

OES Faculty Publications

Tropical cyclone (TC) impacts along the western Atlantic and Caribbean margin are not spatially uniform. Proxy based reconstructions of Common Era TC activity highlight this non-uniform distribution at centennial-millennial timescales. However, the sparse geographic scope of these reconstructions impedes our assessment of TC landfalls across broader spatial domains. This work presents a compilation of new and existing TC reconstructions from the Yucatan Peninsula for comparison with a contemporaneous compilation from New England, showing that these regions occupy distal nodes of a low-frequency TC dipole. Increased Yucatan (New England) storminess is closely linked to intervals of Northern Hemisphere warming (cooling) and …


Agu's Scientific Legacy, Eileen E. Hofmann, Tissa Illangasekare, Francis A. Macdonald, Michael J. Mcphaden, Anne Meltzer, Imke De Pater, Susan J. Roberts, Anne M. Thompson Jan 2025

Agu's Scientific Legacy, Eileen E. Hofmann, Tissa Illangasekare, Francis A. Macdonald, Michael J. Mcphaden, Anne Meltzer, Imke De Pater, Susan J. Roberts, Anne M. Thompson

OES Faculty Publications

The AGU community is a resource for insights into how past research has influenced today's science and will continue to inform the Earth and Space sciences of the future. To capture the voices and opinions from this community, three interviews were held at the 2024 AGU Meeting and broadcast on AGUTV. The interviews with Richard Alley, Susan Lozier and Rana Fine aligned with the daily themes for the 2024 AGU Meeting. The interviewees shared insights from their experiences about the importance of science and how science has shaped their careers and society.


Elucidating The Role Of Marine Benthic Carbon In A Changing World, Cristina Schultz, Jessica Y. Luo, Damian C. Brady, Robinson W. Fulwiler, Matthew H. Long, Colleen M. Petrik, Jeremy M. Testa, Heather M. Benway, David Burdige, Marta M. Cecchetto, Isa Elegbede, Natalya Evans, Alexandra Frenzel, Kayla Gillen, Lisa C. Herbert, Heidi K. Hirsh, Gennadi Lessin, Lisa Levin, Kanchan Maiti, Sairah Malkin, Sarah L. Mincks, Stanley Nmor, Anh Pham, James Pinckney, Christophe Rabouille, Shaily Rahman, Subhadeep Rakshit, Nicholas E. Ray, Dalton K. Sasaki, Samantha A. Siedlecki, Christopher Somes, Aron Stubbins, Olivier Sulpis, Cleuza Trevisan, Yiyang Xu, Hang Yin Jan 2025

Elucidating The Role Of Marine Benthic Carbon In A Changing World, Cristina Schultz, Jessica Y. Luo, Damian C. Brady, Robinson W. Fulwiler, Matthew H. Long, Colleen M. Petrik, Jeremy M. Testa, Heather M. Benway, David Burdige, Marta M. Cecchetto, Isa Elegbede, Natalya Evans, Alexandra Frenzel, Kayla Gillen, Lisa C. Herbert, Heidi K. Hirsh, Gennadi Lessin, Lisa Levin, Kanchan Maiti, Sairah Malkin, Sarah L. Mincks, Stanley Nmor, Anh Pham, James Pinckney, Christophe Rabouille, Shaily Rahman, Subhadeep Rakshit, Nicholas E. Ray, Dalton K. Sasaki, Samantha A. Siedlecki, Christopher Somes, Aron Stubbins, Olivier Sulpis, Cleuza Trevisan, Yiyang Xu, Hang Yin

OES Faculty Publications

The ocean plays a major role in controlling atmospheric carbon at decadal to millennial timescales, with benthic carbon representing the only geologic-scale storage of oceanic carbon. Despite its importance, detailed benthic ocean observations are limited and representation of the benthic carbon cycle in ocean and Earth system models (ESMs) is mostly empirical with little prognostic capacity, which hinders our ability to properly understand the long-term evolution of the carbon cycle and climate change-related feedbacks. The Benthic Ecosystem and Carbon Synthesis (BECS) working group, with the support of the US Ocean Carbon & Biogeochemistry Program (OCB), identified key challenges limiting our …


Organic Geochemical Evidence For Life In Archean Rocks Identified By Pyrolysis-Gc-Ms And Supervised Machine Learning, Michael L. Wong, Anirudh Prabhu, Conel O'D. Alexander, H. James Cleaves Ii, George D. Cody, Grethe Hystad, Marko Bermanec, Wouter Bleeker, C. Kevin Boyce, Andrea Corpolongo, Andrew D. Czaja, Souvik Das, Robert R. Gaines, Daniel D. Gregory, John A. Jaszczak, Emmanuelle J. Javaux, Jaganmoy Jodder, Andrew H. Knoll, Martin Van Kranendonk, Katie M. Maloney, Nora Noffke, Robert Rainbird, Emersyn Slaughter, Eva E. Stüeken, Roger E. Summons, Frances Westall, Jasmina Wiemann, Shuhai Xiao, Robert M. Hazen Jan 2025

Organic Geochemical Evidence For Life In Archean Rocks Identified By Pyrolysis-Gc-Ms And Supervised Machine Learning, Michael L. Wong, Anirudh Prabhu, Conel O'D. Alexander, H. James Cleaves Ii, George D. Cody, Grethe Hystad, Marko Bermanec, Wouter Bleeker, C. Kevin Boyce, Andrea Corpolongo, Andrew D. Czaja, Souvik Das, Robert R. Gaines, Daniel D. Gregory, John A. Jaszczak, Emmanuelle J. Javaux, Jaganmoy Jodder, Andrew H. Knoll, Martin Van Kranendonk, Katie M. Maloney, Nora Noffke, Robert Rainbird, Emersyn Slaughter, Eva E. Stüeken, Roger E. Summons, Frances Westall, Jasmina Wiemann, Shuhai Xiao, Robert M. Hazen

OES Faculty Publications

Throughout Earth’s history, organic molecules from both abiogenic and biogenic sources have been buried in sedimentary rocks. Most of these organic molecules have been significantly altered by geologic processes through deep time. Nonetheless, the nature and distribution of those ancient fragmentary organic remains have the potential to reveal diagnostic biomolecular information after billions of years of burial. Here, we analyzed 406 fossil, modern biological, meteoritic, and synthetic samples using pyrolysis gas chromatography and mass spectrometry. We explored these analytical data via supervised machine-learning methods to discriminate samples of biogenic vs. abiogenic origin, plant vs. animal phylogenetic affinity, and photosynthetic vs. …


Common Era Time-Transgressive Forcing Of Caribbean Water Balance, Peter J. Van Hengstum, Shawna N. Little, Richard M. Sullivan, Jeffrey P. Donnelly, Tyler S. Winkler, Anne E. Tamalavage, Patricia A. Beddows, Patricia L. Fall, Jiabi Du, Kaustubh Thirumalai, Nancy A. Albury, Sloan Coats Jan 2025

Common Era Time-Transgressive Forcing Of Caribbean Water Balance, Peter J. Van Hengstum, Shawna N. Little, Richard M. Sullivan, Jeffrey P. Donnelly, Tyler S. Winkler, Anne E. Tamalavage, Patricia A. Beddows, Patricia L. Fall, Jiabi Du, Kaustubh Thirumalai, Nancy A. Albury, Sloan Coats

OES Faculty Publications

Tropical North Atlantic sea surface temperatures and low-latitude rainfall covary, but prehistoric subtropical rainfall records are often misaligned. Here, a submarine groundwater discharge record from the northern Bahamas archives regional water balance in the northeastern Atlantic Warm Pool. We compare the reconstruction to the tropical North Atlantic seasonal temperature gradient, which can help inform how northeastern Caribbean rainy seasons are influenced by the Atlantic Warm Pool. A positive water balance in the northern Bahamas aligned with a ~0.9 °C seasonal temperature gradient from 0 to 950 CE, with both covarying on multi-decadal timescales. Aridity began at ~950 CE when a …


Impact Of Submarine Groundwater Discharge On Microbial Communities In A Highly Anthropized Coastal Lagoon (Mar Menor, Se Spain), Daniel Romano-Gude, Júlia Dordal-Soriano, Júlia Rodriguez-Puig, Andrea G. Bravo, Irene Alorda-Montiel, Aaron Alorda-Kleinglass, Marc Diego-Feliu, Cristina Romera-Castillo, Rebeca Mallenco-Fornies, Javier Gilabert, Jordi Garcia-Orellana, Valentí Rodellas, Clara Ruiz-González Jan 2025

Impact Of Submarine Groundwater Discharge On Microbial Communities In A Highly Anthropized Coastal Lagoon (Mar Menor, Se Spain), Daniel Romano-Gude, Júlia Dordal-Soriano, Júlia Rodriguez-Puig, Andrea G. Bravo, Irene Alorda-Montiel, Aaron Alorda-Kleinglass, Marc Diego-Feliu, Cristina Romera-Castillo, Rebeca Mallenco-Fornies, Javier Gilabert, Jordi Garcia-Orellana, Valentí Rodellas, Clara Ruiz-González

OES Faculty Publications

Submarine groundwater discharge (SGD) supplies large quantities of nutrients and other terrestrial elements to coastal ecosystems, impacting marine biota and ecosystem functioning. Despite the relevance of prokaryotes for marine biogeochemistry, little is known about their responses to groundwater inputs. Here we explored the impact of SGD on the spatiotemporal patterns of prokaryotic communities from the Mar Menor (Murcia, Spain), a highly anthropized hypersaline coastal lagoon that receives large amounts of nutrient-polluted SGD. Using 16S rRNA amplicon sequencing, activity assays, and flow cytometry, we investigated the dynamics of prokaryotic communities across the lagoon and its connected environments (freshwater streams, groundwater, soils, …


Harnessing The Power Of Gradient-Based Simulations For Multi-Objective Optimization In Particle Accelerators, Kishansingh Rajput, Malachi Schram, Auralee Edelen, Jonathan Colen, Armen Kasparian, Ryan Roussel, Adam Carpenter, He Zhang, Jay Benesch Jan 2025

Harnessing The Power Of Gradient-Based Simulations For Multi-Objective Optimization In Particle Accelerators, Kishansingh Rajput, Malachi Schram, Auralee Edelen, Jonathan Colen, Armen Kasparian, Ryan Roussel, Adam Carpenter, He Zhang, Jay Benesch

Data Science Faculty Publications

Particle accelerator operation requires simultaneous optimization of multiple objectives. Multi-objective optimization (MOO) is particularly challenging due to trade-offs between the objectives. Evolutionary algorithms, such as genetic algorithms (GAs), have been leveraged for many optimization problems, however, they do not apply to complex control problems by design. This paper demonstrates the power of differentiability for solving MOO problems in particle accelerators using a deep differentiable reinforcement learning (DDRL) algorithm. We compare the DDRL algorithm with model-free reinforcement learning (MFRL), GA, and Bayesian optimization (BO) for simultaneous optimization of heat load and trip rates in the continuous electron beam accelerator facility. The …


Fares On Fairness: Using A Total Error Framework To Examine The Role Of Measurement And Representation In Training Data On Model Fairness And Bias, Patrick Oliver Schenk, Christoph Kern, Trent D. Buskirk Jan 2025

Fares On Fairness: Using A Total Error Framework To Examine The Role Of Measurement And Representation In Training Data On Model Fairness And Bias, Patrick Oliver Schenk, Christoph Kern, Trent D. Buskirk

Data Science Faculty Publications

Data-driven decisions, often based on predictions from machine learning (ML) models are becoming ubiquitous. For these decisions to be just, the underlying ML models must be fair, i.e., work equally well for all parts of the population such as groups defined by gender or age. What are the logical next steps if, however, a trained model is accurate but not fair? How can we guide the whole data pipeline such that we avoid training unfair models based on inadequate data, recognizing possible sources of unfairness early on? How can the concepts of data-based sources of unfairness that exist in the …


Training Set Augmentation And Harmonization Enables Radiomic Models To Detect Early Onset Of Lung Cancer, Claire Huchthausen, Menglin Shi, Gabriel L.A. Sousa, James Larner, Einsley Janowski, Jonathan Colen, Krishni Wijesooriya Jan 2025

Training Set Augmentation And Harmonization Enables Radiomic Models To Detect Early Onset Of Lung Cancer, Claire Huchthausen, Menglin Shi, Gabriel L.A. Sousa, James Larner, Einsley Janowski, Jonathan Colen, Krishni Wijesooriya

Data Science Faculty Publications

Radiomics-based machine learning models have the potential to detect lung cancer at inception from CT scans and transform patient outcomes. Low malignancy rates in early-development pulmonary nodules (PNs) and variable image acquisition hinder development of clinically applicable radiomics-based early detection models. To address these challenges, we augmented training using later-development PNs and harmonized for acquisition effects. We first trained machine learning models to predict PN malignancy using radiomic features from scans of early-development benign and malignant PNs (n = 187) harmonized using ComBat. Observing near-chance performance, we augmented training with later-development benign and malignant PNs (n = 225). We evaluated …


An Overview Of The Special Issue, Rachel Gibson, Trent Buskirk Jan 2025

An Overview Of The Special Issue, Rachel Gibson, Trent Buskirk

Data Science Faculty Publications

[Introduction] Across the quantitative social sciences, researchers increasingly face significant challenges and opportunities prompted by the arrival of new sources of very rich, highly granular, and often unstructured digital data. While traditional methods such as surveys and content analysis tools remain indispensable for measuring individual attitudes, behaviors, demographic characteristics, and media messaging online, they often struggle to capture the complex multimodal information streams and metadata generated by social media platforms, mobile devices, sensors, and tracking applications. Collecting and analyzing these diverse new forms of content, dynamic moment-to-moment behaviors, and naturally occurring interactions has become a pressing and exciting research task-one …


Heterogeneous Clustering Of Multiomics Data For Breast Cancer Subgroup Classification And Detection, Joseph Pateras, Musaddiq Lodi, Pratip Rana, Preetam Ghosh Jan 2025

Heterogeneous Clustering Of Multiomics Data For Breast Cancer Subgroup Classification And Detection, Joseph Pateras, Musaddiq Lodi, Pratip Rana, Preetam Ghosh

Computer Science Faculty Publications

The rapid growth of diverse -omics datasets has made multiomics data integration crucial in cancer research. This study adapts the expectation–maximization routine for the joint latent variable modeling of multiomics patient profiles. By combining this approach with traditional biological feature selection methods, this study optimizes latent distribution, enabling efficient patient clustering from well-studied cancer types with reduced computational expense. The proposed optimization subroutines enhance survival analysis and improve runtime performance. This article presents a framework for distinguishing cancer subtypes and identifying potential biomarkers for breast cancer. Key insights into individual subtype expression and function were obtained through differentially expressed gene …


Prompt-Based Learning For Few-Shot Class-Incremental Learning, Jicheng Yuan, Hang Chen, Songsong Tian, Wenfa Li, Lusi Li, Enhao Ning, Yugui Zhang Jan 2025

Prompt-Based Learning For Few-Shot Class-Incremental Learning, Jicheng Yuan, Hang Chen, Songsong Tian, Wenfa Li, Lusi Li, Enhao Ning, Yugui Zhang

Computer Science Faculty Publications

Few-Shot Class-Incremental Learning (FSCIL) aims to enable deep neural networks to incrementally learn new tasks from a limited number of labeled samples, while retaining knowledge of previously learned tasks, mimicking the way humans learn. In this paper, we introduce a novel approach called Prompt Learning for FSCIL (PL-FSCIL), which leverages the power of prompts alongside a pre-trained Vision Transformer (ViT) model to effectively tackle the challenges of FSCIL. Our approach explores the feasibility of directly applying visual prompts in FSCIL, using a simplified model architecture. PL-FSCIL integrates two key prompts: the Domain Prompt and the FSCIL Prompt. Both are tensors …


A Data-Driven Sliding-Window Pairwise Comparative Approach For The Estimation Of Transmission Fitness Of Sars-Cov-2 Variants And The Construction Of The Evolution Fitness Landscape, Md Jubair Pantho, Richard Annan, Landen Alexander Bauder, Sophia Huang, Letu Qingge, Hong Qin Jan 2025

A Data-Driven Sliding-Window Pairwise Comparative Approach For The Estimation Of Transmission Fitness Of Sars-Cov-2 Variants And The Construction Of The Evolution Fitness Landscape, Md Jubair Pantho, Richard Annan, Landen Alexander Bauder, Sophia Huang, Letu Qingge, Hong Qin

Computer Science Faculty Publications

Estimating the transmission fitness of SARS-CoV-2 variants and understanding their evolutionary fitness trends are important for epidemiological forecasting. Existing methods are often constrained by their parametric natures and do not satisfactorily align with the observations during COVID-19. Here, we introduce a sliding-window data-driven pairwise comparison method, the differential population growth rate (DPGR) that uses viral strains as internal controls to mitigate sampling biases. DPGR is applicable in time windows in which the logarithmic ratio of two variant subpopulations is approximately linear. We apply DPGR to genomic surveillance data and focus on variants of concern (VOCs) in multiple countries and regions. …


Not Here, Go There: Analyzing Redirection Patterns On The Web, Kritika Garg, Sawood Alam, Dietrich Ayala, Michele C. Weigle, Michael L. Nelson Jan 2025

Not Here, Go There: Analyzing Redirection Patterns On The Web, Kritika Garg, Sawood Alam, Dietrich Ayala, Michele C. Weigle, Michael L. Nelson

Computer Science Faculty Publications

URI redirections are integral to web management, supporting structural changes, SEO optimization, and security. However, their complexities affect usability, SEO performance, and digital preservation. This study analyzed 11 million unique redirecting URIs, following redirections up to 10 hops per URI, to uncover patterns and implications of redirection practices. Our findings revealed that 50% of the URIs terminated successfully, while 50% resulted in errors, including 0.06% exceeding 10 hops. Canonical redirects, such as HTTP to HTTPS transitions, were prevalent, reflecting adherence to SEO best practices. Non-canonical redirects, often involving domain or path changes, highlighted significant web migrations, rebranding, and security risks. …


Gramseq-Dta: A Grammar-Based Drug-Target Affinity Prediction Approach Fusing Gene Expression Information, Kasul Debnath, Pratip Rana, Preetam Ghosh Jan 2025

Gramseq-Dta: A Grammar-Based Drug-Target Affinity Prediction Approach Fusing Gene Expression Information, Kasul Debnath, Pratip Rana, Preetam Ghosh

Computer Science Faculty Publications

Drug–target affinity (DTA) prediction is a critical aspect of drug discovery. The meaningful representation of drugs and targets is crucial for accurate prediction. Using 1D string-based representations for drugs and targets is a common approach that has demonstrated good results in drug–target affinity prediction. However, these approach lacks information on the relative position of the atoms and bonds. To address this limitation, graph-based representations have been used to some extent. However, solely considering the structural aspect of drugs and targets may be insufficient for accurate DTA prediction. Integrating the functional aspect of these drugs at the genetic level can enhance …


The Invisible Influencer In Information Infrastructure, Herbert Van De Sompel, Michael L. Nelson Jan 2025

The Invisible Influencer In Information Infrastructure, Herbert Van De Sompel, Michael L. Nelson

Computer Science Faculty Publications

The UPS Prototype was a proof-of-concept web portal built in preparation for the Universal Preprint Service Meeting held in October 1999 in Santa Fe, New Mexico. The portal provided search functionality for a set of metadata records that had been aggregated from a range of repositories that hosted preprints, working papers, and technical reports. Every search result was overlaid with a dynamically generated menu, called an SFX-menu, that provided a selection of value-adding links for the described scholarly work. The meeting eventually led to the Open Archives Initiative and its Protocol for Metadata Harvesting (OAI-PMH), which remains widely used in …


Github Repository Complexity Leads To Diminished Web Archive Availability, David Calano, Michael Nelson, Michele Weigle Jan 2025

Github Repository Complexity Leads To Diminished Web Archive Availability, David Calano, Michael Nelson, Michele Weigle

Computer Science Faculty Publications

Software is often developed using versioned controlled software, such as Git, and hosted on centralized Web hosts, such as GitHub and GitLab. These Web hosted software repositories are made available to users in the form of traditional HTML Web pages for each source file and directory, as well as a presentational home page and various descriptive pages. We examined more than 12,000 Web hosted Git repository project home pages, primarily from GitHub, to measure how well their presentational components are preserved in the Internet Archive, as well as the source trees of the collected GitHub repositories to assess the extent …


Benchmarking Batch-Effect Correction Methods Towards The Construction Of A Triple-Negative Breast Cancer Cell Atlas, Peter Scheible, Amy H. Tang, Jing He, Jiangwen Sun Jan 2025

Benchmarking Batch-Effect Correction Methods Towards The Construction Of A Triple-Negative Breast Cancer Cell Atlas, Peter Scheible, Amy H. Tang, Jing He, Jiangwen Sun

Computer Science Faculty Publications

Triple-negative breast cancer (TNBC) requires detailed cellular mapping given its aggressive nature, immense tumor heterogeneity and genetic diversity. We integrated 156,794 cells from six scRNA-seq datasets—including tumors, metastases, and cell lines—to build a TNBC scRNA cell atlas, focusing on batch effect mitigation while maintaining biological and molecular details. Preprocessing f ilters noise, normalizes data, and leverages PCA for integration readiness. We utilized scANVI, a semi-supervised tool, to align datasets, preserving TNBC’s complex tumor heterogeneity via marker annotations [1]. UMAPs demonstrate biological clustering in integrated data, contrasted with datasetdriven unintegrated patterns. Assessments verifying effective batch correction. This method aligns with NASA’s …


Uncertainty-Aware Deep Learning Framework For Forecasting Coastal Water Level In Virginia Beach, Md Mahmudul Hasan, Malachi Schram, Sridhar Katragadda, Diana Mcspadden, Alisa N. Udomvisawakul, Heather Richter, Frank Liu Jan 2025

Uncertainty-Aware Deep Learning Framework For Forecasting Coastal Water Level In Virginia Beach, Md Mahmudul Hasan, Malachi Schram, Sridhar Katragadda, Diana Mcspadden, Alisa N. Udomvisawakul, Heather Richter, Frank Liu

Computer Science Faculty Publications

Coastal areas like Virginia Beach, USA, are increasingly vulnerable to flooding. To mitigate the impact of flooding, it is crucial for the City of Virginia Beach to have reliable 72-hour-ahead (3 days) forecasts of water levels at key gauge locations. To support this effort, several sensors have been installed throughout the city to monitor water levels and other environmental parameters such as wind speed, precipitation, and atmospheric pressure. Leveraging sensor data from one of these locations, we developed an uncertainty-aware deep learning model to forecast water levels. We employed deep quantile regression (DQR) to quantify variability in the predictions and …


Cath-Ddg: Towards Robust Mutation Effect Prediction On Protein-Protein Interactions Out Of Cath Homologous Superfamily, Guanglei Yu, Xuehua Bi, Teng Ma, Yaohang Li, Jianxin Wang Jan 2025

Cath-Ddg: Towards Robust Mutation Effect Prediction On Protein-Protein Interactions Out Of Cath Homologous Superfamily, Guanglei Yu, Xuehua Bi, Teng Ma, Yaohang Li, Jianxin Wang

Computer Science Faculty Publications

Motivation: Protein-protein interactions (PPIs) are fundamental aspects in understanding biological processes. Accurately predicting the effects of mutations on PPIs remains a critical requirement for drug design and disease mechanistic studies. Recently, deep learning models using protein 3D structures have become predominant for predicting mutation effects. However, significant challenges remain in practical applications, in part due to the considerable disparity in generalization capabilities between easy and hard mutations. Specifically, a hard mutation is defined as one with its maximum TM-score < 0.6 when compared to the training set. Additionally, compared to physics-based approaches, deep learning models may overestimate performance due to potential data leakage.

Results: We propose new training/test splits that mitigate data leakage according to the CATH homologous superfamily. Under the constraints of physical …


Multi-Modal Mri Based Segmentation Of Brain Metastases Using Adaptive Self-Attention, Evan Savaria Jan 2025

Multi-Modal Mri Based Segmentation Of Brain Metastases Using Adaptive Self-Attention, Evan Savaria

Computer Science Faculty Publications

Brain metastases (BMs) are the most common adult central nervous system malignancy, affecting 20–40% of cancer patients. Accurate segmentation of metastatic lesions in multi-modal MRI is essential for treatment planning and prognosis however, manual delineation is time consuming and prone to variability. Traditional deep learning models such as U-Net, have improved segmentation accuracy but capture limited long-range dependencies and struggle with variations in metastasis size, shape, and distribution. This study introduces the Adaptive Integrated Multi-modal Segmentation (AIMS) model, an adaptive self-attention framework within a hybrid U-Net and Transformer architecture to enhance BM segmentation by leveraging multi-modal MRI integration. The proposed …


Coldstartcpi: Induced-Fit Theory-Guided Dti Predictive Model With Improved Generalization Performance, Qichang Zhao, Haochen Zhao, Linyuan Gao, Kai Zheng, Yajie Li, Qiao Ling, Jing Tang, Yaohang Li, Jianxin Wang Jan 2025

Coldstartcpi: Induced-Fit Theory-Guided Dti Predictive Model With Improved Generalization Performance, Qichang Zhao, Haochen Zhao, Linyuan Gao, Kai Zheng, Yajie Li, Qiao Ling, Jing Tang, Yaohang Li, Jianxin Wang

Computer Science Faculty Publications

Predicting compound-protein interactions (CPIs) plays a crucial role in drug discovery. Traditional methods, based on the key-lock theory and rigid docking, often fail with novel compounds and proteins due to their inability to account for molecular flexibility and the high sparsity of CPI data. Here, we introduce ColdstartCPI, a framework inspired by induced-fit theory, which leverages unsupervised pre-training features and a Transformer module to learn both compound and protein characteristics. ColdstartCPI treats proteins and compounds as flexible molecules during inference, aligning with biological insights. It outperforms state-of-the-art sequence-based models, particularly for unseen compounds and proteins, and shows strong generalization capability …


Optiselect And Enshap: Integrating Machine Learning And Game Theory For Ischemic Stroke Prediction, Pritam Chakraborty, Anjan Bandyopadhyay, Sricheta Parul, Sujata Swain, Partha Sarathy Banerjee, Tapas Si, Hong Qin, Saurav Mallik Jan 2025

Optiselect And Enshap: Integrating Machine Learning And Game Theory For Ischemic Stroke Prediction, Pritam Chakraborty, Anjan Bandyopadhyay, Sricheta Parul, Sujata Swain, Partha Sarathy Banerjee, Tapas Si, Hong Qin, Saurav Mallik

Computer Science Faculty Publications

Stroke analysis using game theory and machine learning techniques. The study investigates the use of the Shapley value in predictive ischemic brain stroke analysis. Initially, preference algorithms identify the most important features in various machine learning models, including logistic regression, K-nearest neighbor, decision tree, support vector machine (linear kernel), support vector machine ( RBF kernel), neural networks, etc. For each sample, the top 3, 4, and 5 features are evaluated and selected to evaluate their performance. The Shapley value method was used to rank the models using their best four features based on their predictive capabilities. As a result, better-performing …


Sting: A Stealthy Backdoor Attack On Gnn-Based Malicious Domain Detection Via Dns Perturbations, Muhammad Anan, Mahmoud Nazzal, Abdallah Khreishah, Issa Khalil, Nhathai Phan, Ahmad Sawalmeh Jan 2025

Sting: A Stealthy Backdoor Attack On Gnn-Based Malicious Domain Detection Via Dns Perturbations, Muhammad Anan, Mahmoud Nazzal, Abdallah Khreishah, Issa Khalil, Nhathai Phan, Ahmad Sawalmeh

Computer Science Faculty Publications

Detecting malicious Internet domains is essential for safeguarding against various online threats. The current approach to detecting malicious domains (MDD) employs a graph neural network (GNN) method, which uses DNS logs to construct heterogeneous graphs for determining the maliciousness of unknown domains. Despite its success, this method is vulnerable to data poisoning attacks where an adversary can manipulate specific graph nodes to implant a backdoor into the model during training. To showcase the vulnerability, we propose a stealthy trigger injection attack on node features and graph structure in MDD, dubbed (STING). The attacker carefully manipulates selected features and edges of …


Ai For Nuclear Physics: The Exclaim Project, S. Liuti, D. Adams, M. Boër, G. W. Chern, M. Cuic, M. Engelhardt, G. R. Goldstein, B. Kriesten, Y. Li, H. W. Lin, M. Sievert, D. Sivers Jan 2025

Ai For Nuclear Physics: The Exclaim Project, S. Liuti, D. Adams, M. Boër, G. W. Chern, M. Cuic, M. Engelhardt, G. R. Goldstein, B. Kriesten, Y. Li, H. W. Lin, M. Sievert, D. Sivers

Computer Science Faculty Publications

An overview of the recent activity of the newly funded EXCLusives with AI and Machine learning (EXCLAIM) collaboration is presented. The main goal of the collaboration is to develop a framework to implement AI and machine learning techniques in problems emerging from the phenomenology of high energy exclusive scattering processes from nucleons and nuclei, maximizing the information that can be extracted from various sets of experimental data, while implementing theoretical constraints from lattice QCD. A specific perspective embraced by EXCLAIM is to use the methods of theoretical physics to understand the working of ML, beyond its standardized applications to physics …


Normalizing Images In Various Weather And Lighting Conditions Using Colorpix2pix Generative Adversarial Network, Sanjida Tasnim, Ashif Mahmud Mostafa, Azmain Morshed, Namreen Shaiyaz, Shakib Mahmud Dipto, Saad Aloteibi, Mohammad Ali Moni, Md. Golam Rabiul Alam, Md. Ashraful Alam Jan 2025

Normalizing Images In Various Weather And Lighting Conditions Using Colorpix2pix Generative Adversarial Network, Sanjida Tasnim, Ashif Mahmud Mostafa, Azmain Morshed, Namreen Shaiyaz, Shakib Mahmud Dipto, Saad Aloteibi, Mohammad Ali Moni, Md. Golam Rabiul Alam, Md. Ashraful Alam

Computer Science Faculty Publications

Autonomous vehicles (AVs) are widely regarded as the future of transportation due to their tremendous benefits and user comfort. However, the AVs have been struggling with very crucial challenges, such as achieving reliable accuracy in object detection as well as faster computation required for quick decision-making. In recent years, perception systems in driverless cars have been significantly enhanced, mainly due to advances in deep-learning-based object detection systems. However, these perception systems are still heavily affected by environmental variables, such as changes in illumination, refractive interference, and adverse weather conditions, which may compromise their reliability and safety. This research proposes an …


A Survey On Deep Learning For Drug-Target Binding Prediction: Models, Benchmarks, Evaluation, And Case Studies, Kusal Debnath, Pratip Rana, Preetam Ghosh Jan 2025

A Survey On Deep Learning For Drug-Target Binding Prediction: Models, Benchmarks, Evaluation, And Case Studies, Kusal Debnath, Pratip Rana, Preetam Ghosh

Computer Science Faculty Publications

Conventional drug discovery is expensive, time-consuming, and prone to failure. Artificial intelligence has become a potent substitute over the last decade, providing strong answers to challenging biological issues in this field. Among these difficulties, drug-target binding (DTB) is a key component of drug discovery techniques. In this context, drug-target affinity and drug–target interaction are complementary and essential frameworks that work together to improve our comprehension of DTB dynamics. In this work, we thoroughly analyze the most recent deep learning models, popular benchmark datasets, and assessment metrics for DTB prediction. We look at the paradigm shift in the development of drug …