Open Access. Powered by Scholars. Published by Universities.®
Physical Sciences and Mathematics Commons™
Open Access. Powered by Scholars. Published by Universities.®
- Institution
-
- Old Dominion University (10)
- University of Kentucky (4)
- Zayed University (4)
- New Jersey Institute of Technology (3)
- Chapman University (2)
-
- Dartmouth College (2)
- University of Arkansas, Fayetteville (2)
- University of Nebraska - Lincoln (2)
- West Virginia University (2)
- American University in Cairo (1)
- College of Saint Benedict and Saint John's University (1)
- Michigan Technological University (1)
- Mississippi State University (1)
- Munster Technological University (1)
- National Taiwan Ocean University (1)
- South Dakota State University (1)
- Southern Methodist University (1)
- The Texas Medical Center Library (1)
- The University of Southern Mississippi (1)
- University of Missouri, St. Louis (1)
- University of Nevada, Las Vegas (1)
- University of New Mexico (1)
- University of Southern Maine (1)
- University of Texas at El Paso (1)
- Utah State University (1)
- Western Michigan University (1)
- Western University (1)
- Publication Year
- Publication
-
- Computer Science Theses & Dissertations (5)
- All Works (4)
- Dissertations (4)
- Computer Science Faculty Publications (3)
- Computer Science and Computer Engineering Undergraduate Honors Theses (2)
-
- Graduate Theses, Dissertations, and Problem Reports (2)
- Mathematics, Physics, and Computer Science Faculty Articles and Research (2)
- Theses (2)
- Theses and Dissertations (2)
- All College Thesis Program, 2016-2019 (1)
- Community & Environmental Health Faculty Publications (1)
- Computer Science ETDs (1)
- Dartmouth College Master’s Theses (1)
- Dartmouth College Ph.D Dissertations (1)
- Department of Statistics: Dissertations, Theses, and Student Work (1)
- Dissertations & Theses (Open Access) (1)
- Dissertations and Doctoral Documents from University of Nebraska-Lincoln, 2023– (1)
- Electrical & Computer Engineering Faculty Publications (1)
- Electrical & Computer Engineering Faculty Research (1)
- Electrical & Computer Engineering Theses & Dissertations (1)
- Electronic Theses and Dissertations (1)
- Electronic Thesis and Dissertation Repository (1)
- Honors Theses (1)
- Journal of Marine Science and Technology (1)
- Mathematics Faculty Publications (1)
- Michigan Tech Publications (1)
- Open Access Theses & Dissertations (1)
- SMU Data Science Review (1)
- Student Research Symposium (1)
- Theses and Dissertations--Computer Science (1)
- Publication Type
Articles 1 - 30 of 49
Full-Text Articles in Physical Sciences and Mathematics
Next-Generation Crop Monitoring Technologies: Case Studies About Edge Image Processing For Crop Monitoring And Soil Water Property Modeling Via Above-Ground Sensors, Nipuna Chamara
Dissertations and Doctoral Documents from University of Nebraska-Lincoln, 2023–
Artificial Intelligence (AI) has advanced rapidly in the past two decades. Internet of Things (IoT) technology has advanced rapidly during the last decade. Merging these two technologies has immense potential in several industries, including agriculture.
We have identified several research gaps in utilizing IoT technology in agriculture. One problem was the digital divide between rural, unconnected, or limited connected areas and urban areas for utilizing images for decision-making, which has advanced with the growth of AI. Another area for improvement was the farmers' demotivation to use in-situ soil moisture sensors for irrigation decision-making due to inherited installation difficulties. As Nebraska …
Machine Learning As A Tool For Early Detection: A Focus On Late-Stage Colorectal Cancer Across Socioeconomic Spectrums, Hadiza Galadima, Rexford Anson-Dwamena, Ashley Johnson, Ghalib Bello, Georges Adunlin, James Blando
Machine Learning As A Tool For Early Detection: A Focus On Late-Stage Colorectal Cancer Across Socioeconomic Spectrums, Hadiza Galadima, Rexford Anson-Dwamena, Ashley Johnson, Ghalib Bello, Georges Adunlin, James Blando
Community & Environmental Health Faculty Publications
Purpose: To assess the efficacy of various machine learning (ML) algorithms in predicting late-stage colorectal cancer (CRC) diagnoses against the backdrop of socio-economic and regional healthcare disparities. Methods: An innovative theoretical framework was developed to integrate individual- and census tract-level social determinants of health (SDOH) with sociodemographic factors. A comparative analysis of the ML models was conducted using key performance metrics such as AUC-ROC to evaluate their predictive accuracy. Spatio-temporal analysis was used to identify disparities in late-stage CRC diagnosis probabilities. Results: Gradient boosting emerged as the superior model, with the top predictors for late-stage CRC diagnosis being anatomic site, …
Model-Based Deep Autoencoders For Clustering Single-Cell Rna Sequencing Data With Side Information, Xiang Lin
Model-Based Deep Autoencoders For Clustering Single-Cell Rna Sequencing Data With Side Information, Xiang Lin
Dissertations
Clustering analysis has been conducted extensively in single-cell RNA sequencing (scRNA-seq) studies. scRNA-seq can profile tens of thousands of genes' activities within a single cell. Thousands or tens of thousands of cells can be captured simultaneously in a typical scRNA-seq experiment. Biologists would like to cluster these cells for exploring and elucidating cell types or subtypes. Numerous methods have been designed for clustering scRNA-seq data. Yet, single-cell technologies develop so fast in the past few years that those existing methods do not catch up with these rapid changes and fail to fully fulfil their potential. For instance, besides profiling transcription …
Deep Learning Image Analysis To Isolate And Characterize Different Stages Of S-Phase In Human Cells, Kevin A. Boyd, Rudranil Mitra, John Santerre, Christopher L. Sansam
Deep Learning Image Analysis To Isolate And Characterize Different Stages Of S-Phase In Human Cells, Kevin A. Boyd, Rudranil Mitra, John Santerre, Christopher L. Sansam
SMU Data Science Review
Abstract. This research used deep learning for image analysis by isolating and characterizing distinct DNA replication patterns in human cells. By leveraging high-resolution microscopy images of multiple cells stained with 5-Ethynyl-2′-deoxyuridine (EdU), a replication marker, this analysis utilized Convolutional Neural Networks (CNNs) to perform image segmentation and to provide robust and reliable classification results. First multiple cells in a field of focus were identified using a pretrained CNN called Cellpose. After identifying the location of each cell in the image a python script was created to crop out each cell into individual .tif files. After careful annotation, a CNN was …
Deep Learning For Plant Bioinformatics: An Explainable Gradient-Based Approach For Disease Detection, Muhammad Shoaib, Babar Shah, Nasir Sayed, Farman Ali, Rafi Ullah, Irfan Hussain
Deep Learning For Plant Bioinformatics: An Explainable Gradient-Based Approach For Disease Detection, Muhammad Shoaib, Babar Shah, Nasir Sayed, Farman Ali, Rafi Ullah, Irfan Hussain
All Works
Emerging in the realm of bioinformatics, plant bioinformatics integrates computational and statistical methods to study plant genomes, transcriptomes, and proteomes. With the introduction of high-throughput sequencing technologies and other omics data, the demand for automated methods to analyze and interpret these data has increased. We propose a novel explainable gradient-based approach EG-CNN model for both omics data and hyperspectral images to predict the type of attack on plants in this study. We gathered gene expression, metabolite, and hyperspectral image data from plants afflicted with four prevalent diseases: powdery mildew, rust, leaf spot, and blight. Our proposed EG-CNN model employs a …
Self-Supervised Pretraining And Transfer Learning On Fmri Data With Transformers, Sean Paulsen
Self-Supervised Pretraining And Transfer Learning On Fmri Data With Transformers, Sean Paulsen
Dartmouth College Ph.D Dissertations
Transfer learning is a machine learning technique founded on the idea that knowledge acquired by a model during “pretraining” on a source task can be transferred to the learning of a target task. Successful transfer learning can result in improved performance, faster convergence, and reduced demand for data. This technique is particularly desirable for the task of brain decoding in the domain of functional magnetic resonance imaging (fMRI), wherein even the most modern machine learning methods can struggle to decode labelled features of brain images. This challenge is due to the highly complex underlying signal, physical and neurological differences between …
Utilizing Few-Shot Meta Learning Algorithms For Medical Image Segmentation, Nick Littlefield
Utilizing Few-Shot Meta Learning Algorithms For Medical Image Segmentation, Nick Littlefield
Thinking Matters Symposium
Deep learning models can be difficult to train because they require large amounts of data, which we usually do not have or are too expensive to get or annotate. To overcome this problem, we can use few-shot meta-learning, which allows us to train deep learning models with little data. Using a few examples, meta-learning, or learning-to-learn, aims to use the experience learned during training to generalize to unknown tasks. Medical imaging is an industry where it is particularly useful, as there is limited publicly available data due to patient privacy concerns and annotating costs.
This project examines how meta-learning performs …
Deephtlv: A Deep Learning Framework For Detecting Human T-Lymphotrophic Virus 1 Integration Sites, Johnathan Jia, Johnathan Jia
Deephtlv: A Deep Learning Framework For Detecting Human T-Lymphotrophic Virus 1 Integration Sites, Johnathan Jia, Johnathan Jia
Dissertations & Theses (Open Access)
In the 1980s, researchers found the first human oncogenic retrovirus called human T-lymphotrophic virus type 1 (HTLV-1). Since then, HTLV-1 has been identified as the causative agent behind several diseases such as adult T-cell leukemia/lymphoma (ATL) and a HTLV-1 associated myelopathy or tropical spastic paraparesis (HAM/TSP). As part of its normal replication cycle, the genome is converted into DNA and integrated into the genome. With several hundreds to thousands of unique viral integration sites (VISs) distributed with indeterminate preference throughout the genome, detection of HTLV-1 VISs is a challenging task. Experimental studies typically use molecular biology …
Wearable Sensor Gait Analysis For Fall Detection Using Deep Learning Methods, Haben Girmay Yhdego
Wearable Sensor Gait Analysis For Fall Detection Using Deep Learning Methods, Haben Girmay Yhdego
Electrical & Computer Engineering Theses & Dissertations
World Health Organization (WHO) data show that around 684,000 people die from falls yearly, making it the second-highest mortality rate after traffic accidents [1]. Early detection of falls, followed by pneumatic protection, is one of the most effective means of ensuring the safety of the elderly. In light of the recent widespread adoption of wearable sensors, it has become increasingly critical that fall detection models are developed that can effectively process large and sequential sensor signal data. Several researchers have recently developed fall detection algorithms based on wearable sensor data. However, real-time fall detection remains challenging because of the wide …
An Advanced Deep Learning Models-Based Plant Disease Detection: A Review Of Recent Research, Muhammad Shoaib, Babar Shah, Shaker Ei-Sappagh, Akhtar Ali, Asad Ullah, Fayadh Alenezi, Tsanko Gechev, Tariq Hussain, Farman Ali
An Advanced Deep Learning Models-Based Plant Disease Detection: A Review Of Recent Research, Muhammad Shoaib, Babar Shah, Shaker Ei-Sappagh, Akhtar Ali, Asad Ullah, Fayadh Alenezi, Tsanko Gechev, Tariq Hussain, Farman Ali
All Works
Plants play a crucial role in supplying food globally. Various environmental factors lead to plant diseases which results in significant production losses. However, manual detection of plant diseases is a time-consuming and error-prone process. It can be an unreliable method of identifying and preventing the spread of plant diseases. Adopting advanced technologies such as Machine Learning (ML) and Deep Learning (DL) can help to overcome these challenges by enabling early identification of plant diseases. In this paper, the recent advancements in the use of ML and DL techniques for the identification of plant diseases are explored. The research focuses on …
Artificial Intelligence In Prediction Of The Remaining Useful Life Of Wind Turbine Shaft Bearings, Jinsiang Shaw, B.J. Wu
Artificial Intelligence In Prediction Of The Remaining Useful Life Of Wind Turbine Shaft Bearings, Jinsiang Shaw, B.J. Wu
Journal of Marine Science and Technology
Long-term periodic rotation and unstable load changes in wind turbines can cause unexpected damage to high-speed shaft bearings (HSSBs). In this study, after preprocessing of the HSSB vibration signal, four different models for predicting bearing degradation in terms of remaining useful life (RUL) in days were investigated: support vector regression (SVR), convolutional neural networks (CNN), long short-term memory (LSTM), and CNN-LSTM. The experimental results revealed that the CNN achieved the best mean absolute error (MAE), at 0.44 days, based on frequency response plot using the fast Fourier transform (FFT), while that of the CNN-LSTM model predicted using the amplitude profile …
Multimodal Neuron Classification Based On Morphology And Electrophysiology, Aqib Ahmad
Multimodal Neuron Classification Based On Morphology And Electrophysiology, Aqib Ahmad
Graduate Theses, Dissertations, and Problem Reports
Categorizing neurons into different types to understand neural circuits and ultimately brain function is a major challenge in neuroscience. While electrical properties are critical in defining a neuron, its morphology is equally important. Advancements in single-cell analysis methods have allowed neuroscientists to simultaneously capture multiple data modalities from a neuron. We propose a method to classify neurons using both morphological structure and electrophysiology. Current approaches are based on a limited analysis of morphological features. We propose to use a new graph neural network to learn representations that more comprehensively account for the complexity of the shape of neuronal structures. In …
An Approach To Developing Benchmark Datasets For Protein Secondary Structure Segmentation From Cryo-Em Density Maps, Thu Nguyen, Yongcheng Mu, Jiangwen Sun, Jing He
An Approach To Developing Benchmark Datasets For Protein Secondary Structure Segmentation From Cryo-Em Density Maps, Thu Nguyen, Yongcheng Mu, Jiangwen Sun, Jing He
Computer Science Faculty Publications
More and more deep learning approaches have been proposed to segment secondary structures from cryo-electron density maps at medium resolution range (5--10Å). Although the deep learning approaches show great potential, only a few small experimental data sets have been used to test the approaches. There is limited understanding about potential factors, in data, that affect the performance of segmentation. We propose an approach to generate data sets with desired specifications in three potential factors - the protein sequence identity, structural contents, and data quality. The approach was implemented and has generated a test set and various training sets to study …
Assessing Wood Failure In Plywood By Deep Learning/Semantic Segmentation, Ramon Ferreira Oliveira
Assessing Wood Failure In Plywood By Deep Learning/Semantic Segmentation, Ramon Ferreira Oliveira
Theses and Dissertations
The current method for estimating wood failure is highly subjective. Various techniques have been proposed to improve the current protocol, but none have succeeded. This research aims to use deep learning/semantic segmentation using SegNet architecture to estimate wood failure in four types of three-ply plywood from mechanical shear strength specimens. We trained and tested our approach on custom and commercial plywood with bio-based and phenol-formaldehyde adhesives. Shear specimens were prepared and tested. Photographs of 255 shear bonded areas were taken. Forty photographs were used to solicit visual estimates from five human evaluators, and the remaining photographs were used to train …
An Effective Deep Learning Approach For The Classification Of Bacteriosis In Peach Leave, Muneer Akbar, Mohib Ullah, Babar Shah, Rafi Ullah Khan, Tariq Hussain, Farman Ali, Fayadh Alenezi, Ikram Syed, Kyung Sup Kwak
An Effective Deep Learning Approach For The Classification Of Bacteriosis In Peach Leave, Muneer Akbar, Mohib Ullah, Babar Shah, Rafi Ullah Khan, Tariq Hussain, Farman Ali, Fayadh Alenezi, Ikram Syed, Kyung Sup Kwak
All Works
Bacteriosis is one of the most prevalent and deadly infections that affect peach crops globally. Timely detection of Bacteriosis disease is essential for lowering pesticide use and preventing crop loss. It takes time and effort to distinguish and detect Bacteriosis or a short hole in a peach leaf. In this paper, we proposed a novel LightWeight (WLNet) Convolutional Neural Network (CNN) model based on Visual Geometry Group (VGG-19) for detecting and classifying images into Bacteriosis and healthy images. Profound knowledge of the proposed model is utilized to detect Bacteriosis in peach leaf images. First, a dataset is developed which consists …
Deep Learning-Based Segmentation And Classification Of Leaf Images For Detection Of Tomato Plant Disease, Muhammad Shoaib, Tariq Hussain, Babar Shah, Ihsan Ullah, Sayyed Mudassar Shah, Farman Ali, Sang Hyun Park
Deep Learning-Based Segmentation And Classification Of Leaf Images For Detection Of Tomato Plant Disease, Muhammad Shoaib, Tariq Hussain, Babar Shah, Ihsan Ullah, Sayyed Mudassar Shah, Farman Ali, Sang Hyun Park
All Works
Plants contribute significantly to the global food supply. Various Plant diseases can result in production losses, which can be avoided by maintaining vigilance. However, manually monitoring plant diseases by agriculture experts and botanists is time-consuming, challenging and error-prone. To reduce the risk of disease severity, machine vision technology (i.e., artificial intelligence) can play a significant role. In the alternative method, the severity of the disease can be diminished through computer technologies and the cooperation of humans. These methods can also eliminate the disadvantages of manual observation. In this work, we proposed a solution to detect tomato plant disease using a …
Integrating Deep Learning And Hydrodynamic Modeling To Improve The Great Lakes Forecast, Pengfei Xue, Aditya Wagh, Gangfeng Ma, Yilin Wang, Yongchao Yang, Tao Liu, Chenfu Huang
Integrating Deep Learning And Hydrodynamic Modeling To Improve The Great Lakes Forecast, Pengfei Xue, Aditya Wagh, Gangfeng Ma, Yilin Wang, Yongchao Yang, Tao Liu, Chenfu Huang
Michigan Tech Publications
The Laurentian Great Lakes, one of the world’s largest surface freshwater systems, pose a modeling challenge in seasonal forecast and climate projection. While physics-based hydrodynamic modeling is a fundamental approach, improving the forecast accuracy remains critical. In recent years, machine learning (ML) has quickly emerged in geoscience applications, but its application to the Great Lakes hydrodynamic prediction is still in its early stages. This work is the first one to explore a deep learning approach to predicting spatiotemporal distributions of the lake surface temperature (LST) in the Great Lakes. Our study shows that the Long Short-Term Memory (LSTM) neural network, …
Comparing Machine Learning Techniques With State-Of-The-Art Parametric Prediction Models For Predicting Soybean Traits, Susweta Ray
Department of Statistics: Dissertations, Theses, and Student Work
Soybean is a significant source of protein and oil, and also widely used as animal feed. Thus, developing lines that are superior in terms of yield, protein and oil content is important to feed the ever-growing population. As opposed to the high-cost phenotyping, genotyping is both cost and time efficient for breeders while evaluating new lines in different environments (location-year combinations) can be costly. Several Genomic prediction (GP) methods have been developed to use the marker and environment data effectively to predict the yield or other relevant phenotypic traits of crops. Our study compares a conventional GP method (GBLUP), a …
Contrastive Learning For Unsupervised Auditory Texture Models, Christina Trexler
Contrastive Learning For Unsupervised Auditory Texture Models, Christina Trexler
Computer Science and Computer Engineering Undergraduate Honors Theses
Sounds with a high level of stationarity, also known as sound textures, have perceptually relevant features which can be captured by stimulus-computable models. This makes texture-like sounds, such as those made by rain, wind, and fire, an appealing test case for understanding the underlying mechanisms of auditory recognition. Previous auditory texture models typically measured statistics from auditory filter bank representations, and the statistics they used were somewhat ad-hoc, hand-engineered through a process of trial and error. Here, we investigate whether a better auditory texture representation can be obtained via contrastive learning, taking advantage of the stationarity of auditory textures to …
Development Of Deep Learning Neural Network For Ecological And Medical Images, Shaobo Liu
Development Of Deep Learning Neural Network For Ecological And Medical Images, Shaobo Liu
Dissertations
Deep learning in computer vision and image processing has attracted attentions from various fields including ecology and medical image. Ecologists are interested in finding an effective model structure to classify different species. Tradition deep learning model use a convolutional neural network, such as LeNet, AlexNet, VGG models, residual neural network, and inception models, are first used on classifying bee wing and butterfly datasets. However, insufficient data sample and unbalanced samples in each class have caused a poor accuracy. To make improvement the test accuracy, data augmentation and transfer learning are applied. Recently developed deep learning framework based on mathematical morphology …
Using Deep Learning For Children Brain Image Analysis, Rafael Toche Pizano
Using Deep Learning For Children Brain Image Analysis, Rafael Toche Pizano
Computer Science and Computer Engineering Undergraduate Honors Theses
Analyzing the correlation between brain volumetric/morphometry features and cognition/behavior in children is important in the field of pediatrics as identifying such relationships can help identify children who may be at risk for illnesses. Understanding these relationships can not only help identify children who may be at risk of illnesses, but it can also help evaluate strategies that promote brain development in children. Currently, one way to do this is to use traditional statistical methods such as a correlation analysis, but such an approach does not make it easy to generalize and predict how brain volumetric/morphometry will impact cognition/behavior. One of …
Deepnec: A Novel Alignment-Free Tool For The Characterization Of Nitrification-Related Enzymes Using Deep Learning, A Step Towards Comprehensive Understanding Of The Nitrogen Cycle, Naveen Duhan
Student Research Symposium
Abstract: Nitrification is an important microbial two-step transformation in the global nitrogen cycle, as it is the only natural process that produces nitrate within a system. The functional annotation of nitrification-related enzymes has a broad range of applications in metagenomics, agriculture, industrial biotechnology, etc. The time and resources needed for determining the function of enzymes experimentally are restrictively costly. Therefore, an accurate genome-scale computational prediction of the nitrification-related enzymes has become much more important.In this study, we developed an alignment-free computational approach to determine the nitrification-related enzymes from the sequence itself. We propose deepNEC, a novel end-to-end feature selection and …
Deep Learning For Multi-Tissue Cancer Classification Of Gene Expressions, Tarek Khorshed
Deep Learning For Multi-Tissue Cancer Classification Of Gene Expressions, Tarek Khorshed
Theses and Dissertations
We contribute in saving the lives of cancer patients through early detection and diagnosis, since one of the major challenges in cancer treatment is that patients are diagnosed at very late stages when appropriate medical interventions become less effective and full curative treatment is no longer achievable. Cancer classification using gene expressions is extremely challenging given the complexity and high dimensionality of the data. Current classification methods typically rely on samples collected from a single tissue type and perform a prerequisite of gene feature selection to avoid processing the full set of genes. These methods fall short in taking advantage …
A Multi-Resolution Graph Convolution Network For Contiguous Epitope Prediction, Lisa Oh
A Multi-Resolution Graph Convolution Network For Contiguous Epitope Prediction, Lisa Oh
Dartmouth College Master’s Theses
Computational methods for predicting binding interfaces between antigens and antibodies (epitopes and paratopes) are faster and cheaper than traditional experimental structure determination methods. A sufficiently reliable computational predictor that could scale to large sets of available antibody sequence data could thus inform and expedite many biomedical pursuits, such as better understanding immune responses to vaccination and natural infection and developing better drugs and vaccines. However, current state-of-the-art predictors produce discontiguous predictions, e.g., predicting the epitope in many different spots on an antigen, even though in reality they typically comprise a single localized region. We seek to produce contiguous predicted epitopes, …
Predicting Carcass Cut Yields In Cattle From Digitalimages Using Artificial Intelligence, Darragh Matthews
Predicting Carcass Cut Yields In Cattle From Digitalimages Using Artificial Intelligence, Darragh Matthews
Theses
Beef carcass classification in Europe is predicated on the EUROP grid for both fatness and conformation. Although this system performs well for grouping visually similar carcasses, it cannot be used to accurately predict meat yields from these groups, especially when considered on an individual cut level. Deep Learning (DL) has proven to be a successful tool for many image classification problems but has yet to be fully proven in a regression scenario using carcass images. Here we have trained DL models to predict carcass cut yields and compared predictions to more standard machine learning (ML) methods. Three approaches were undertaken …
New Methods For Deep Learning Based Real-Valued Inter-Residue Distance Prediction, Jacob Barger
New Methods For Deep Learning Based Real-Valued Inter-Residue Distance Prediction, Jacob Barger
Theses
Background: Much of the recent success in protein structure prediction has been a result of accurate protein contact prediction--a binary classification problem. Dozens of methods, built from various types of machine learning and deep learning algorithms, have been published over the last two decades for predicting contacts. Recently, many groups, including Google DeepMind, have demonstrated that reformulating the problem as a multi-class classification problem is a more promising direction to pursue. As an alternative approach, we recently proposed real-valued distance predictions, formulating the problem as a regression problem. The nuances of protein 3D structures make this formulation appropriate, allowing predictions …
Deepfrag-K: A Fragment-Based Deep Learning Approach For Protein Fold Recognition, Wessam Elhefnawy, Min Li, Jianxin Wang, Yaohang Li
Deepfrag-K: A Fragment-Based Deep Learning Approach For Protein Fold Recognition, Wessam Elhefnawy, Min Li, Jianxin Wang, Yaohang Li
Computer Science Faculty Publications
Background: One of the most essential problems in structural bioinformatics is protein fold recognition. In this paper, we design a novel deep learning architecture, so-called DeepFrag-k, which identifies fold discriminative features at fragment level to improve the accuracy of protein fold recognition. DeepFrag-k is composed of two stages: the first stage employs a multi-modal Deep Belief Network (DBN) to predict the potential structural fragments given a sequence, represented as a fragment vector, and then the second stage uses a deep convolutional neural network (CNN) to classify the fragment vector into the corresponding fold.
Results: Our results show that DeepFrag-k yields …
Unveiling The Molecular Mechanism Of Sars-Cov-2 Main Protease Inhibition From 137 Crystal Structures Using Algebraic Topology And Deep Learning, Duc Duy Nguyen, Kaifu Gao, Jiahui Chen, Rui Wang, Guo-Wei Wei
Unveiling The Molecular Mechanism Of Sars-Cov-2 Main Protease Inhibition From 137 Crystal Structures Using Algebraic Topology And Deep Learning, Duc Duy Nguyen, Kaifu Gao, Jiahui Chen, Rui Wang, Guo-Wei Wei
Mathematics Faculty Publications
Currently, there is neither effective antiviral drugs nor vaccine for coronavirus disease 2019 (COVID-19) caused by acute respiratory syndrome coronavirus 2 (SARS-CoV-2). Due to its high conservativeness and low similarity with human genes, SARS-CoV-2 main protease (Mpro) is one of the most favorable drug targets. However, the current understanding of the molecular mechanism of Mpro inhibition is limited by the lack of reliable binding affinity ranking and prediction of existing structures of Mpro-inhibitor complexes. This work integrates mathematics (i.e., algebraic topology) and deep learning (MathDL) to provide a reliable ranking of the binding …
Computational Methods For Predicting Protein-Protein Interactions And Binding Sites, Yiwei Li
Computational Methods For Predicting Protein-Protein Interactions And Binding Sites, Yiwei Li
Electronic Thesis and Dissertation Repository
Proteins are essential to organisms and participate in virtually every process within cells. Quite often, they keep the cells functioning by interacting with other proteins. This process is called protein-protein interaction (PPI). The bonding amino acid residues during the process of protein-protein interactions are called PPI binding sites. Identifying PPIs and PPI binding sites are fundamental problems in system biology.
Experimental methods for solving these two problems are slow and expensive. Therefore, great efforts are being made towards increasing the performance of computational methods.
We present DELPHI, a deep learning based program for PPI site prediction and SPRINT, an algorithmic …
Allosteric Regulation At The Crossroads Of New Technologies: Multiscale Modeling, Networks, And Machine Learning, Gennady M. Verkhivker, Steve Agajanian, Guang Hu, Peng Tao
Allosteric Regulation At The Crossroads Of New Technologies: Multiscale Modeling, Networks, And Machine Learning, Gennady M. Verkhivker, Steve Agajanian, Guang Hu, Peng Tao
Mathematics, Physics, and Computer Science Faculty Articles and Research
Allosteric regulation is a common mechanism employed by complex biomolecular systems for regulation of activity and adaptability in the cellular environment, serving as an effective molecular tool for cellular communication. As an intrinsic but elusive property, allostery is a ubiquitous phenomenon where binding or disturbing of a distal site in a protein can functionally control its activity and is considered as the “second secret of life.” The fundamental biological importance and complexity of these processes require a multi-faceted platform of synergistically integrated approaches for prediction and characterization of allosteric functional states, atomistic reconstruction of allosteric regulatory mechanisms and discovery of …