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Search results for: alphafold, blind prediction, capri, casp, deep learning, protein assemblies, protein complexes, protein-protein interaction
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Machine learning-based prediction of preplaced aggregate concrete characteristics
PublicationPreplaced-Aggregate Concrete (PAC) is a type of preplaced concrete where coarse aggregate is placed in the mold and a Portland cement-sand grout with admixtures is injected to fill the voids. Due to the complex nature of PAC, many studies were conducted to determine the effects of admixtures and the compressive and tensile strengths of PAC. Considering that a prediction tool is needed to estimate the compressive and tensile...
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Machine learning-based prediction of preplaced aggregate concrete characteristics
PublicationPreplaced-Aggregate Concrete (PAC) is a type of preplaced concrete where coarse aggregate is placed in the mold and a Portland cement-sand grout with admixtures is injected to fill the voids. Due to the complex nature of PAC, many studies were conducted to determine the effects of admixtures and the compressive and tensile strengths of PAC. Considering that a prediction tool is needed to estimate the compressive and tensile strengths...
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Deep Learning-Based LOS and NLOS Identification in Wireless Body Area Networks
PublicationIn this article, the usage of deep learning (DL) in ultra-wideband (UWB) Wireless Body Area Networks (WBANs) is presented. The developed approach, using channel impulse response, allows higher efficiency in identifying the direct visibility conditions between nodes in off-body communication with comparison to the methods described in the literature. The effectiveness of the proposed deep feedforward neural network was checked on...
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Joanna Raczek dr inż.
PeopleEmployment 2003 -- 2019: Faculty of Applied Physics and Mathematics, Gdańsk University of Technology. 2019 - present: Faculty of Electronic, Informatics and Telecominications, Gdańsk University of Technology. Education May 2007: Doctor of Philosophy in Mathematics, University of Gdańsk. Doctoral dissertation: "Paired domination and doubly domination in graphs". Supervisor: dr hab. Jerzy Topp. 2000 -- 2004 Bachelor of Science...
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Experimental investigations and prediction of WEDMed surface of nitinol SMA using SinGAN and DenseNet deep learning model
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Preeclampsia Risk Prediction Using Machine Learning Methods Trained on Synthetic Data
PublicationThis paper describes a research study that investigates the use of machine learning algorithms on synthetic data to classify the risk of developing preeclampsia by pregnant women. Synthetic datasets were generated based on parameter distributions from three real patient studies. Four models were compared: XGBoost, Support Vector Machine (SVM), Random Forest, and Explainable Boosting Machines (EBM). The study found that the XGBoost...
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Deep Learning-Based Intrusion System for Vehicular Ad Hoc Networks
PublicationThe increasing use of the Internet with vehicles has made travel more convenient. However, hackers can attack intelligent vehicles through various technical loopholes, resulting in a range of security issues. Due to these security issues, the safety protection technology of the in-vehicle system has become a focus of research. Using the advanced autoencoder network and recurrent neural network in deep learning, we investigated...
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Ageing-Time Dependent Changes of Angiotensin I-Converting Enzyme-Inhibiting Activity of Protein Hydrolysates Obtained from Dry-Cured Pork Loins Inoculated with Probiotic Lactic Acid Bacteria
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Interaction of cisplatin and two potential antitumoral platinum(ii) complexes with a model lipid membrane: a combined NMR and MD study
PublicationIn this study, the interaction of cisplatin (1) and two potential antitumoral Pt(II) complexes (2 and 3) with a model DMPC bilayer was investigated by multinuclear NMR spectroscopy and MD simulations in order to understand its implication for the different antitumoral properties shown by the three complexes. In particular, 31P, 13C and 2H solid state NMR experiments were performed to obtain information on the phase structure, phase...
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Bimodal deep learning model for subjectively enhanced emotion classification in films
PublicationThis research delves into the concept of color grading in film, focusing on how color influences the emotional response of the audience. The study commenced by recalling state-of-the-art works that process audio-video signals and associated emotions by machine learning. Then, assumptions of subjective tests for refining and validating an emotion model for assigning specific emotional labels to selected film excerpts were presented....
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Position Estimation in Mixed Indoor-Outdoor Environment Using Signals of Opportunity and Deep Learning Approach
PublicationTo improve the user's localization estimation in indoor and outdoor environment a novel radiolocalization system using deep learning dedicated to work both in indoor and outdoor environment is proposed. It is based on the radio signatures using radio signals of opportunity from LTE an WiFi networks. The measurements of channel state estimators from LTE network and from WiFi network are taken by using the developed application....
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Deep Learning Approaches in Histopathology
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Big Data from Sensor Network via Internet of Things to Edge Deep Learning for Smart City
PublicationData from a physical world is sampled by sensor networks, and then streams of Big Data are sent to cloud hosts to support decision making by deep learning software. In a smart city, some tasks may be assigned to smart devices of the Internet of Things for performing edge computing. Besides, a part of workload of calculations can be transferred to the cloud hosts. This paper proposes benchmarks for division tasks between an edge...
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Prediction of the structures of proteins with the UNRES force field, including dynamic formation and breaking of disulfide bonds
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Synthesis, crystal structure and spectroscopic characterization of new anionic iridium(III) complexes and their interaction with biological targets
PublicationThe synthesis and characterisation of new anionic iridium(II) complexes (NH4)2[IrCl4(κ2N,N’-H2biim)]2 · 5H2O (1) and ((CH3)2NH2)[IrCl4(κ2N,N’-PyBIm)] · H2O (2) are presented in this article. Spectroscopic methods (1H, 13C and 15N NMR, FTIR, UV-Vis) were used to characterize these new complexes. Solid-state structural analysis (SC-XRD) of complexes 1 and 2 shows a slightly distorted octahedral geometry of Ir(III) ions, which is...
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Deep Learning Optimization for Edge Devices: Analysis of Training Quantization Parameters
PublicationThis paper focuses on convolution neural network quantization problem. The quantization has a distinct stage of data conversion from floating-point into integer-point numbers. In general, the process of quantization is associated with the reduction of the matrix dimension via limited precision of the numbers. However, the training and inference stages of deep learning neural network are limited by the space of the memory and a...
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LOS and NLOS identification in real indoor environment using deep learning approach
PublicationVisibility conditions between antennas, i.e. Line-of-Sight (LOS) and Non-Line-of-Sight (NLOS) can be crucial in the context of indoor localization, for which detecting the NLOS condition and further correcting constant position estimation errors or allocating resources can reduce the negative influence of multipath propagation on wireless communication and positioning. In this paper a deep learning (DL) model to classify LOS/NLOS...
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Significant Decrease in Glycated Hemoglobin, 2h-Post-Load Glucose and High-Sensitivity C-Reactive Protein Levels in Patients with Abnormal Body Mass Index after Therapy with Manual Lymphatic Drainage
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Deep learning-based waste detection in natural and urban environments
PublicationWaste pollution is one of the most significant environmental issues in the modern world. The importance of recycling is well known, both for economic and ecological reasons, and the industry demands high efficiency. Current studies towards automatic waste detection are hardly comparable due to the lack of benchmarks and widely accepted standards regarding the used metrics and data. Those problems are addressed in this article by...
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Classifying Emotions in Film Music - A Deep Learning Approach
PublicationThe paper presents an application for automatically classifying emotions in film music. A model of emotions is proposed, which is also associated with colors. The model created has nine emotional states, to which colors are assigned according to the color theory in film. Subjective tests are carried out to check the correctness of the assumptions behind the adopted emotion model. For that purpose, a statistical analysis of the...
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Decision making process using deep learning
PublicationEndüstri 4.0, dördüncü endüstri devrimi veya Endüstriyel Nesnelerin İnterneti (IIoT) olarak adlandırılan sanayi akımı, işletmelere, daha verimli, daha büyük bir esneklikle, daha güvenli ve daha çevre dostu bir şekilde üretim yapma imkanı sunmaktadır. Nesnelerin İnterneti ile bağlantılı yeni teknoloji ve hizmetler birçok endüstriyel uygulamada devrim niteliği taşımaktadır. Fabrikalardaki otomasyon, tahminleyici bakım (PdM – Predictive...
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Automated detection of pronunciation errors in non-native English speech employing deep learning
PublicationDespite significant advances in recent years, the existing Computer-Assisted Pronunciation Training (CAPT) methods detect pronunciation errors with a relatively low accuracy (precision of 60% at 40%-80% recall). This Ph.D. work proposes novel deep learning methods for detecting pronunciation errors in non-native (L2) English speech, outperforming the state-of-the-art method in AUC metric (Area under the Curve) by 41%, i.e., from...
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Analysis of the Capability of Deep Learning Algorithms for EEG-based Brain-Computer Interface Implementation
PublicationMachine learning models have received significant attention for their exceptional performance in classifying electroencephalography (EEG) data. They have proven to be highly effective in extracting intricate patterns and features from the raw signal data, thereby contributing to their success in EEG classification tasks. In this study, we explore the possibilities of utilizing contemporary machine learning algorithms in decoding...
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Evidence for consolidation of neuronal assemblies after seizures in humans
PublicationThe establishment of memories involves reactivation of waking neuronal activity patterns and strengthening of associated neural circuits during slow-wave sleep (SWS), a process known as "cellular consolidation" (Dudai and Morris, 2013). Reactivation of neural activity patterns during waking behaviors that occurs on a timescale of seconds to minutes is thought to constitute memory recall (O'Keefe and Nadel, 1978), whereas consolidation...
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Wearable system supporting navigation of the blind
PublicationImproving blind people comfort of life is a problem ofgreat importance. Fortunately, new technolgies provide us withadditional methods to improve everyday life of the blind and visuallyimpaired. The paper presents experimental system made byresearchers from Department of Geoinformatics of Gdansk Universityof Technology, which is capable of finding the route from theindicated source to chosen destination, using dedicated digital...
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Effect of temperature and composition on physical properties of deep eutectic solvents based on 2-(methylamino)ethanol – measurement and prediction
PublicationNovel deep eutectic solvents were synthesized using 2-(methylamino)ethanol as hydrogen bond donor with tetrabutylammonium bromide or tetrabutylammonium chloride or tetraethylammonium chloride as hydrogen bond acceptors. Mixtures were prepared at different molar ratios of 1:6, 1:8 and 1:10 salt to alkanolamine and then Fourier Transform Infrared Spectroscopy measurements were performed to confirm hydrogen bonds interactions between...
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Deep Learning-based Recalibration of the CUETO and EORTC Prediction Tools for Recurrence and Progression of Non–muscle-invasive Bladder Cancer
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Pursuing the Deep-Learning-Based Classification of Exposed and Imagined Colors from EEG
PublicationEEG-based brain-computer interfaces are systems aiming to integrate disabled people into their environments. Nevertheless, their control could not be intuitive or depend on an active external stimulator to generate the responses for interacting with it. Targeting the second issue, a novel paradigm is explored in this paper, which depends on a passive stimulus by measuring the EEG responses of a subject to the primary colors (red,...
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Improving the prediction of biochar production from various biomass sources through the implementation of eXplainable machine learning approaches
PublicationExamining the game-changing possibilities of explainable machine learning techniques, this study explores the fast-growing area of biochar production prediction. The paper demonstrates how recent advances in sensitivity analysis methodology, optimization of training hyperparameters, and state-of-the-art ensemble techniques have greatly simplified and enhanced the forecasting of biochar output and composition from various biomass...
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Forewarned Is Forearmed: Machine Learning Algorithms for the Prediction of Catheter-Induced Coronary and Aortic Injuries
PublicationCatheter-induced dissections (CID) of coronary arteries and/or the aorta are among the most dangerous complications of percutaneous coronary procedures, yet the data on their risk factors are anecdotal. Logistic regression and five more advanced machine learning techniques were applied to determine the most significant predictors of dissection. Model performance comparison and feature importance ranking were evaluated. We identified...
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Detecting Lombard Speech Using Deep Learning Approach
PublicationRobust Lombard speech-in-noise detecting is challenging. This study proposes a strategy to detect Lombard speech using a machine learning approach for applications such as public address systems that work in near real time. The paper starts with the background concerning the Lombard effect. Then, assumptions of the work performed for Lombard speech detection are outlined. The framework proposed combines convolutional neural networks...
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Thermal Images Analysis Methods using Deep Learning Techniques for the Needs of Remote Medical Diagnostics
PublicationRemote medical diagnostic solutions have recently gained more importance due to global demographic shifts and play a key role in evaluation of health status during epidemic. Contactless estimation of vital signs with image processing techniques is especially important since it allows for obtaining health status without the use of additional sensors. Thermography enables us to reveal additional details, imperceptible in images acquired...
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Melatonin maintains mitochondrial membrane potential and attenuates activation of initiator (casp-9) and effector caspases (casp-3/casp-7) and PARP in UVR-exposed HaCaT keratinocytes
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Solubility of dapsone in deep eutectic solvents: Experimental analysis, molecular insights and machine learning predictions
PublicationBackground. Dapsone (DAP) is an anti-inflammatory and antimicrobial active pharmaceutical ingredient used to treat, e.g., AIDS-related diseases. However, low solubility is a feature hampering its efficient use. Objectives. First, deep eutectic solvents...
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Deep learning-enabled integration of renewable energy sources through photovoltaics in buildings
PublicationInstalling photovoltaic (PV) systems in buildings is one of the most effective strategies for achieving sustainable energy goals and reducing carbon emissions. However, the requirement for efficient energy management, the fluctuating energy demands, and the intermittent nature of solar power are a few of the obstacles to the seamless integration of PV systems into buildings. These complexities surpass the capabilities of rule-based...
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Interaction of human serum albumin with volatiles and polyphenols from some berries
PublicationHeadspace solid-phase microextraction coupled with comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometry (HS-SPME/GC GCeTOFMS) identified 19 and quantified 6 monoterpenes in gooseberries, blueberries and cranberries. As a protein model human serum albumin (HSA) was used in interaction with terpenes. Specific binding of terpenes to HSA under the physiological conditions was a result of the formation...
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Deep neural networks for data analysis
e-Learning CoursesThe aim of the course is to familiarize students with the methods of deep learning for advanced data analysis. Typical areas of application of these types of methods include: image classification, speech recognition and natural language understanding. Celem przedmiotu jest zapoznanie studentów z metodami głębokiego uczenia maszynowego na potrzeby zaawansowanej analizy danych. Do typowych obszarów zastosowań tego typu metod należą:...
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Gracjana Klein-Raina dr hab.
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Analysis of the Factors Affecting Static In Vitro Pepsinolysis of Food Proteins
PublicationIn this meta-analysis, we collected 58 publications spanning the last seven decades that reported static in vitro protein gastric digestion results. A number of descriptors of the pepsinolysis process were extracted, including protein type; pepsin activity and concentration; protein concentration; pH; additives; protein form (e.g., ‘native’, ‘emulsion’, ‘gel’, etc.); molecular weight of the protein; treatment; temperature; and...
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Deep neural networks for data analysis 24/25
e-Learning CoursesThis course covers introduction to supervised machine learning, construction of basic artificial deep neural networks (DNNs) and basic training algorithms, as well as the overview of popular DNNs architectures (convolutional networks, recurrent networks, transformers). The course introduces students to popular regularization techniques for deep models. Besides theory, large part of the course is the project in which students apply...
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Experimental and Machine-Learning-Assisted Design of Pharmaceutically Acceptable Deep Eutectic Solvents for the Solubility Improvement of Non-Selective COX Inhibitors Ibuprofen and Ketoprofen
PublicationDeep eutectic solvents (DESs) are commonly used in pharmaceutical applications as excellent solubilizers of active substances. This study investigated the tuning of ibuprofen and ketoprofen solubility utilizing DESs containing choline chloride or betaine as hydrogen bond acceptors and various polyols (ethylene glycol, diethylene glycol, triethylene glycol, glycerol, 1,2-propanediol, 1,3-butanediol) as hydrogen bond donors. Experimental...
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Experimental and Machine-Learning-Assisted Design of Pharmaceutically Acceptable Deep Eutectic Solvents for the Solubility Improvement of Non-Selective COX Inhibitors Ibuprofen and Ketoprofen
PublicationDeep eutectic solvents (DESs) are commonly used in pharmaceutical applications as excellent solubilizers of active substances. This study investigated the tuning of ibuprofen and ketoprofen solubility utilizing DESs containing choline chloride or betaine as hydrogen bond acceptors and various polyols (ethylene glycol, diethylene glycol, triethylene glycol, glycerol, 1,2-propanediol, 1,3-butanediol) as hydrogen bond donors. Experimental...
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Attention-Based Deep Learning System for Classification of Breast Lesions—Multimodal, Weakly Supervised Approach
PublicationBreast cancer is the most frequent female cancer, with a considerable disease burden and high mortality. Early diagnosis with screening mammography might be facilitated by automated systems supported by deep learning artificial intelligence. We propose a model based on a weakly supervised Clustering-constrained Attention Multiple Instance Learning (CLAM) classifier able to train under data scarcity effectively. We used a private...
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Fast Fading Influence on the Deep Learning-Based LOS and NLOS Identificationin Wireless Body Area Networks
PublicationIn the article, the fast fading influence on the proposed DL (Deep Learning) approach for LOS (Line-of-Sight) and NLOS (Non-Line-of-Sight) conditions identification in Wireless Body Area Networks is investigated. The research was conducted on the basis of the off-body communication measurements using the developed mobile measurement stand, in an indoor environment for both static and dynamic scenarios. The measurements involved...
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Prediction of energy consumption and evaluation of affecting factors in a full-scale WWTP using a machine learning approach
PublicationTreatment of municipal wastewater to meet the stringent effluent quality standards is an energy-intensive process and the main contributor to the costs of wastewater treatment plants (WWTPs). Analysis and prediction of energy consumption (EC) are essential in designing and operating sustainable energy-saving WWTPs. In this study, the effect of wastewater, hydraulic, and climate-based parameters on the daily consumption of EC by...
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Modeling the Structure, Dynamics, and Transformations of Proteins with the UNRES Force Field
PublicationThe physics-based united-residue (UNRES) model of proteins ( www.unres.pl ) has been designed to carry out large-scale simulations of protein folding. The force field has been derived and parameterized based on the principles of statistical-mechanics, which makes it independent of structural databases and applicable to treat nonstandard situations such as, proteins that contain D-amino-acid residues. Powered by Langevin dynamics...
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Reverse vaccinology-based prediction of a multi-epitope SARS-CoV-2 vaccine and its tailoring to new coronavirus variants
PublicationThe genome feature of SARS-CoV-2 leads the virus to mutate and creates new variants of concern. Tackling viral mutations is also an important challenge for the development of a new vaccine. Accordingly, in the present study, we undertook to identify B- and T-cell epitopes with immunogenic potential for eliciting responses to SARS-CoV-2, using computational approaches and its tailoring to coronavirus variants. A total of 47 novel...
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User Orientation Detection in Relation to Antenna Geometry in Ultra-Wideband Wireless Body Area Networks Using Deep Learning
PublicationIn this paper, the issue of detecting a user’s position in relation to the antenna geometry in ultra-wideband (UWB) off-body wireless body area network (WBAN) communication using deep learning methods is presented. To measure the impulse response of the channel, a measurement stand consisting of EVB1000 devices and DW1000 radio modules was developed and indoor static measurement scenarios were performed. It was proven that for...
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Methods of navigation in the mobile application supporting movement of the blind
PublicationThis paper presents conclusions from the last development phase of the “Voice Maps” project. Authors specify newly found available options for navigation in affordable system for the blind with all their related aspects. System uses dedicated geographical data, built-in smartphone GPS receivers and DGPS external device in order to assist blind users in their everyday travelling. Authors also discuss new methods to improve positioning...
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Air flow phenomena in the model of the blind drift
PublicationIn the presented paper, Particle Image Velocimetry (PIV) has been used to investigate flow pattern and turbulent structure in the model of blind drift. The presented model exist in mining, and has been analyzed to resolve ventilation issues. Blind region is particularly susceptible to unsafe methane accumulation. The measurement system allows us to evaluate all components of the velocity vector in channel cross-section simultaneously....