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Wyniki wyszukiwania dla: DEEP EUTECTIC SOLVENT
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Minimal parameter implicit solvent model for ab initioelectronic-structure calculations
PublikacjaAbstract - We present an implicit solvent model for ab initio electronic-structure calculations which is fully self-consistent and is based on direct solution of the nonhomogeneous Poisson equation. The solute cavity is naturally defined in terms of an isosurface of the electronic density according to the formula of Fattebert and Gygi (J. Comput. Chem., 23 (2002) 662). While this model depends on only two parameters, we demonstrate...
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Headspace Solvent Microextraction
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Discussion:Horizontal stress increase induced by deep vibratory compaction
PublikacjaDeep compaction control of granular material using the results of field tests. The analysis include the CPTU and DMT tests terformed before and after compaction works.
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Diethyl carbonate as a green extraction solvent for chlorophenol determination with dispersive liquid–liquid microextraction
PublikacjaThe principles of green analytical chemistry indicate that the search for greener organic solvents for extraction applications is crucial. In this study diethyl carbonate (DEC) is proved to be a green solvent, as it is relatively nontoxic, obtainable from renewable resources and biodegradable. Here it is applied as an extraction solvent for chlorophenol determination in water samples with dispersive liquid–liquid microextraction....
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Deep compaction control of sandy soils
PublikacjaVibroflotation, vibratory compaction, micro-blasting or heavy tamping are typical improvement methods for the cohesionless deposits of high thickness. The complex mechanism of deep soil compaction is related to void ratio decrease with grain rearrangements, lateral stress increase, prestressing effect of certain number of load cycles, water pressure dissipation, aging and other effects. Calibration chamber based interpretation...
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Removal of organic compounds from water by solvent sublation. Criteria for solvent selection.
PublikacjaProces flotoekstrakcji zastosowano do usuwania z wody następujących związków organicznych: tetrachlorku węgla, chloroformu, 1,3,5-trimetylobenzenu (mezytylenu), fenolu i 2,4,5-trichlorofenolu. Jako odbierające fazy organiczne użyto: olej mineralny, 1-dekanol, 1-oktanol, octan amylu, dodekan i tetradekan. Mechanizmem decydującym o usuwaniu lotnych związków organicznych (VOC) było odparowanie do wnętrza pęcherzyków gazu, podczas...
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Breast MRI segmentation by deep learning: key gaps and challenges
PublikacjaBreast MRI segmentation plays a vital role in early diagnosis and treatment planning of breast anomalies. Convolutional neural networks with deep learning have indicated promise in automating this process, but significant gaps and challenges remain to address. This PubMed-based review provides a comprehensive literature overview of the latest deep learning models used for breast segmentation. The article categorizes the literature...
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Deep Learning: A Case Study for Image Recognition Using Transfer Learning
PublikacjaDeep learning (DL) is a rising star of machine learning (ML) and artificial intelligence (AI) domains. Until 2006, many researchers had attempted to build deep neural networks (DNN), but most of them failed. In 2006, it was proven that deep neural networks are one of the most crucial inventions for the 21st century. Nowadays, DNN are being used as a key technology for many different domains: self-driven vehicles, smart cities,...
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Intermolecular Interactions as a Measure of Dapsone Solubility in Neat Solvents and Binary Solvent Mixtures
PublikacjaDapsone is an effective antibacterial drug used to treat a variety of conditions. However, the aqueous solubility of this drug is limited, as is its permeability. This study expands the available solubility data pool for dapsone by measuring its solubility in several pure organic solvents: N-methyl-2-pyrrolidone (CAS: 872-50-4), dimethyl sulfoxide (CAS: 67-68-5), 4-formylmorpholine (CAS: 4394-85-8), tetraethylene pentamine (CAS:...
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Morphology control via dual solvent crystallization for high-mobility functionalized pentacene-blend thin film transistors
PublikacjaWe present an approach to improving the performance of solution processed organic semiconductor transistors based on a dual solvent system. We here apply this to a blend containing the π-conjugated small molecule 6,13 bis(triisopropylsilylethynyl) pentacene (TIPS-pentacene) and polystyrene, which acts as an inert binder. Using a semiconductor-binder solution of two solvents, where the main solvent is a better solvent of the small...
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The influence of reinforcement on load carrying capacity and cracking of the reinforced concrete deep beam joint
PublikacjaThe paper presents the results of experimental research of the spatial reinforced concrete deep beam systems orthogonally reinforced and with additional inclined bars. Joint of the deep beams in this research was composed of the longitudinal deep beam with a cantilever suspended at the transversal deep beam. The cantilever deep beam was loaded throughout the depth and the transversal deep beam was loaded at the mid-span by longitudinal...
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Solvent Exchange around Aqueous Zn(II) from Ab Initio Molecular Dynamics Simulations
PublikacjaHydrated zinc(II) cations, due to their importance in biological systems, are the subject of ongoing research concerning their hydration shell structure and dynamics. Here, ab initio molecular dynamics (AIMD) simulations are used to study solvent exchange events around aqueous Zn2+, for which observation in detail is possible owing to the considerable length of the generated trajectory. While the hexacoordinated Zn(H2O)62+ is the...
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Bio‐polyols synthesized by liquefaction of cellulose: Influence of liquefaction solvent molecular weight
PublikacjaCurrently, the plastics industry including polyurethanes is based on the use of petrochemicals. For this reason, scientists are looking for new types of renewable resources for the substitution of petrochemical substances. This work aims to evaluate the effect of polyethylene glycols (PEG) with different molecular mass impact on properties of bio-based polyols synthesized via biomass liquefaction of cellulose. To date, research...
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Unique agreement of experimental and computational infrared spectroscopy: a case study of lithium bromide solvation in an important electrochemical solvent
PublikacjaInfrared (IR) spectroscopy is a widely used and invaluable tool in the studies of solvation phenomena in electrolyte solutions. Using state-of-the-art chemometric analysis of a spectral series measured in a concentration-dependent manner, the spectrum of the solute-affected solvent can be extracted, providing a detailed view of the structural and energetic states of the solvent molecules influenced by the solute. Concurrently,...
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Deep learning for recommending subscription-limited documents
PublikacjaDocuments recommendation for a commercial, subscription-based online platform is important due to the difficulty in navigation through a large volume and diversity of content available to clients. However, this is also a challenging task due to the number of new documents added every day and decreasing relevance of older contents. To solve this problem, we propose deep neural network architecture that combines autoencoder with...
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Volatile Organohalogen Compounds Determination with Dispersive Liquid-Liquid Microextraction Applying Solvent Lighter than Water
PublikacjaBackground: Volatile organohalogen compounds (VOX) are a group of environmental pollutants that risk the quality of drinking water. These compounds are characterized by certain acute and chronic toxicities, possessing mutagenic properties. Because of these potential risks factors that these compounds cause, the maximum allowable concentrations (MACs) have been established by respective organizations. The abundance of VOX, their...
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The porosity and morphology of PU foams prepared by solvent casting/salt leaching method with different solvents
PublikacjaIn this study, the polyurethane (PU) system based on poly(ethylene-butylene) adipate diol, 1,6-hexamethylene diisocyanate, 1,4-butanediol and ascorbic acid is used to prepare a foamed material. Polymer foams were created using solvent casting/salt-particle leaching (SC/PL) method. The influence of the PU concentration in different solutions [either in a DMF or in DMF with THF as a co-solvent] on the morphology and porosity of the...
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Explainable AI for Inspecting Adversarial Attacks on Deep Neural Networks
PublikacjaDeep Neural Networks (DNN) are state of the art algorithms for image classification. Although significant achievements and perspectives, deep neural networks and accompanying learning algorithms have some important challenges to tackle. However, it appears that it is relatively easy to attack and fool with well-designed input samples called adversarial examples. Adversarial perturba-tions are unnoticeable for humans. Such attacks...
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Split-beam echosounder data from Gdansk Deep Summer 2019
Dane BadawczeThe acoustic data was collected in 2019, in the Gdansk Deep, in the season: Summer. Data was collected during the day and night. Three split-beam echosounders with frequencies of 38 kHz, 120 kHz and 333 kHz were used to collect the data. The data was collected while the ship was sailing. To ensure data quality, echosounders were calibrated and passive...
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Training of Deep Learning Models Using Synthetic Datasets
PublikacjaIn order to solve increasingly complex problems, the complexity of Deep Neural Networks also needs to be constantly increased, and therefore training such networks requires more and more data. Unfortunately, obtaining such massive real world training data to optimize neural networks parameters is a challenging and time-consuming task. To solve this problem, we propose an easy-touse and general approach to training deep learning...
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Optimized Deep Learning Model for Flood Detection Using Satellite Images
PublikacjaThe increasing amount of rain produces a number of issues in Kerala, particularly in urban regions where the drainage system is frequently unable to handle a significant amount of water in such a short duration. Meanwhile, standard flood detection results are inaccurate for complex phenomena and cannot handle enormous quantities of data. In order to overcome those drawbacks and enhance the outcomes of conventional flood detection...
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Benchmarking Deep Neural Network Training Using Multi- and Many-Core Processors
PublikacjaIn the paper we provide thorough benchmarking of deep neural network (DNN) training on modern multi- and many-core Intel processors in order to assess performance differences for various deep learning as well as parallel computing parameters. We present performance of DNN training for Alexnet, Googlenet, Googlenet_v2 as well as Resnet_50 for various engines used by the deep learning framework, for various batch sizes. Furthermore,...
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Data augmentation for improving deep learning in image classification problem
PublikacjaThese days deep learning is the fastest-growing field in the field of Machine Learning (ML) and Deep Neural Networks (DNN). Among many of DNN structures, the Convolutional Neural Networks (CNN) are currently the main tool used for the image analysis and classification purposes. Although great achievements and perspectives, deep neural networks and accompanying learning algorithms have some relevant challenges to tackle. In this...
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Fabrication of Composite Polyurethane/Hydroxyapatite Scaffolds Using Solvent-Casting Salt Leaching Technique
PublikacjaScaffolds are porous three-dimensional structures which are used to fill bone losses and make them possible to cells to grow. Many different structural and biological properties are required from them: porosity, mechanical strength and biocompability. The present research is aimed at development of composite polyurethane/hydroxyapatite scaffolds by using the solvent-casting salt leaching method. The SEM examinations were applied...
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SOLVENT EXTRACTION RESEARCH AND DEVELOPMENT-JAPAN
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Predicting sulfanilamide solubility in the binary mixtures using a reference solvent approach
PublikacjaBackground. Solubility is a fundamental physicochemical property of active pharmaceutical ingredients. The optimization of a dissolution medium aims not only to increase solubility and other aspects are to be included such as environmental impact, toxicity degree, availability, and costs. Obtaining comprehensive...
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The impact of the AC922 Architecture on Performance of Deep Neural Network Training
PublikacjaPractical deep learning applications require more and more computing power. New computing architectures emerge, specifically designed for the artificial intelligence applications, including the IBM Power System AC922. In this paper we confront an AC922 (8335-GTG) server equipped with 4 NVIDIA Volta V100 GPUs with selected deep neural network training applications, including four convolutional and one recurrent model. We report...
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Classifying Emotions in Film Music - A Deep Learning Approach
PublikacjaThe 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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Selected Technical Issues of Deep Neural Networks for Image Classification Purposes
PublikacjaIn recent years, deep learning and especially Deep Neural Networks (DNN) have obtained amazing performance on a variety of problems, in particular in classification or pattern recognition. Among many kinds of DNNs, the Convolutional Neural Networks (CNN) are most commonly used. However, due to their complexity, there are many problems related but not limited to optimizing network parameters, avoiding overfitting and ensuring good...
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Outlier detection method by using deep neural networks
PublikacjaDetecting outliers in the data set is quite important for building effective predictive models. Consistent prediction can not be made through models created with data sets containing outliers, or robust models can not be created. In such cases, it may be possible to exclude observations that are determined to be outlier from the data set, or to assign less weight to these points of observation than to other points of observation....
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SYNTHETIZED MEMBRANES FOR ULTRASOUND-ASSISTED SOLVENT EXTRACTION OF POROUS MEMBRANE PACKED SOLID SAMPLES.
PublikacjaMembranes are becoming more and more popular in analytical chemistry, which is why they are used, among others, in extraction processes. Therefore, this work focuses on the process of synthesis PVDF membranes and its optimization. The obtained membranes were used as bags for the phthalate extraction in disposable diapers for babies. Extraction was accomplished by method ultrasound-assisted solvent extraction of porous PVDF membrane...
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Deep learning techniques for biometric security: A systematic review of presentation attack detection systems
PublikacjaBiometric technology, including finger vein, fingerprint, iris, and face recognition, is widely used to enhance security in various devices. In the past decade, significant progress has been made in improving biometric sys- tems, thanks to advancements in deep convolutional neural networks (DCNN) and computer vision (CV), along with large-scale training datasets. However, these systems have become targets of various attacks, with...
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Deep Learning-Based LOS and NLOS Identification in Wireless Body Area Networks
PublikacjaIn 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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Force transfer and stress distribution in short cantilever deep beams loaded throughout the depth with a various reinforcement
PublikacjaDeep beams used as the main reinforced concrete structural elements which taking over the load and stiffening construction are often found in high-rise buildings. The architecture of these buildings is sometimes sophisticated and varied, arouse the admiration of the majority of recipients, and thus causing an engineering challenge to correctly design the structural system and force transfer. In such structures is important to shape...
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Nutrients, oxygen and suspended matter - Gdansk Deep (2001-2005)
Dane BadawczeThe results show short-term changes in the concentration of nutrients (nitrates, nitrites, ammonium ions, phosphates and total forms of nitrogen and phosphorus), dissolved oxygen and suspended particulate matter - SPM and its main components (organic carbon - POC, nitrogen - PON, phosphorus - TPP) in the water column of the Gdańsk Deep (Gdańsk Bay).
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Deep Learning-Based, Multiclass Approach to Cancer Classification on Liquid Biopsy Data
PublikacjaThe field of cancer diagnostics has been revolutionized by liquid biopsies, which offer a bridge between laboratory research and clinical settings. These tests are less invasive than traditional biopsies and more convenient than routine imaging methods. Liquid biopsies allow studying of tumor-derived markers in bodily fluids, enabling the development of more precise cancer diagnostic tests for screening, disease monitoring, and...
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Radiative lifetime of a BODIPY dye as calculated by TDDFT and EOM-CCSD methods: solvent and vibronic effects
PublikacjaThe radiative emission lifetime and associated S1 excited state properties of a BODIPY dye are investigated with TDDFT and EOM-CCSD calculations. The effects of a solvent are described with the polarizable continuum model using the linear response (LR) approach as well as state-specific methods. The Franck–Condon (FC), Herzberg–Teller (HT) and Duschinsky vibronic effects are evaluated for the absorption and emission spectra, and...
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SYNTHESIZING MEDICAL TERMS – QUALITY AND NATURALNESS OF THE DEEP TEXT-TO-SPEECH ALGORITHM
PublikacjaThe main purpose of this study is to develop a deep text-to-speech (TTS) algorithm designated for an embedded system device. First, a critical literature review of state-of-the-art speech synthesis deep models is provided. The algorithm implementation covers both hardware and algorithmic solutions. The algorithm is designed for use with the Raspberry Pi 4 board. 80 synthesized sentences were prepared based on medical and everyday...
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Deep neural network architecture search using network morphism
PublikacjaThe paper presents the results of the research on neural architecture search (NAS) algorithm. We utilized the hill climbing algorithm to search for well-performing structures of deep convolutional neural network. Moreover, we used the function preserving transformations which enabled the effective operation of the algorithm in a short period of time. The network obtained with the advantage of NAS was validated on skin lesion classification...
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Deep CNN based decision support system for detection and assessing the stage of diabetic retinopathy
PublikacjaThe diabetic retinopathy is a disease caused by long-standing diabetes. Lack of effective treatment can lead to vision impairment and even irreversible blindness. The disease can be diagnosed by examining digital color fundus photographs of retina. In this paper we propose deep learning approach to automated diabetic retinopathy screening. Deep convolutional neural networks (CNN) - the most popular kind of deep learning algorithms...
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Deep learning based thermal image segmentation for laboratory animals tracking
PublikacjaAutomated systems for behaviour classification of laboratory animals are an attractive alternative to manual scoring. However, the proper animals separation and tracking, especially when they are in close contact, is the bottleneck of the behaviour analysis systems. In this paper, we propose a method for the segmentation of thermal images of laboratory rats that are in close contact during social behaviour tests. For this, we are...
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Application of multicriteria decision analysis in solvent type optimization for chlorophenols determination with a dispersive liquid–liquid microextraction
PublikacjaThis study presents a novel support tool for the optimization and development of analytical methods. The tool is based on multi-criteria decision analysis (MCDA), namely the Technique for Order of Preference by Similarity to the Ideal Solution (TOPSIS), that allows users to rank possible solutions according to their requirements. In this study, we performed rankings of pairs of eight extraction and three dispersive solvents used...
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Statistical evaluation of the changes in cellulose properties caused by the stepwise solvent exchange and esterification
PublikacjaThe objective of the research was to empirically confirm the changes in cellulose reactivity caused by the pre-treatment with solvents of different polarity. Therefore, 5 solvents varying in their polar component of surface tension from 0 to 4.6 mN/m were chosen. Their impact on the biopolymer properties was carefully analysed concerning chemical structure, crystallinity and surface characteristics. It was revealed that the length...
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Decision making process using deep learning
PublikacjaEndüstri 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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Finding the Right Solvent: A Novel Screening Protocol for Identifying Environmentally Friendly and Cost-Effective Options for Benzenesulfonamide
PublikacjaThis study investigated the solubility of benzenesulfonamide (BSA) as a model compound using experimental and computational methods. New experimental solubility data were collected in the solvents DMSO, DMF, 4FM, and their binary mixtures with water. The predictive model was constructed based on the best-performing regression models trained on available experimental data, and their hyperparameters were optimized using a newly...
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Deep Instance Segmentation of Laboratory Animals in Thermal Images
PublikacjaIn this paper we focus on the role of deep instance segmentation of laboratory rodents in thermal images. Thermal imaging is very suitable to observe the behaviour of laboratory animals, especially in low light conditions. It is an non-intrusive method allowing to monitor the activity of animals and potentially observe some physiological changes expressed in dynamic thermal patterns. The analysis of the recorded sequence of thermal...
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Microbiological condition of sediments and bottom water in the area of Gdańsk Deep in Gulf of Gdańsk
Dane BadawczeThis dataset contains the results of microbiological analysis of bottom water and bottom sediments in the area of Gdańsk Deep in Gulf of Gdańsk. The tested samples were collected at 5 sites on 15th of December 2007. 5 samples of bottom water and 10 samples of sediments were collected for microbiological testing. Each of these samples were analysed for...
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Solventless and solvent-minimized sample preparation techniques for determining currently used pesticides in water samples: A review
PublikacjaThe intensification of agriculture means that increasing amounts of toxic organic and inorganic compounds are entering the environment. The pesticides generally applied nowadays are regarded as some of the most dangerous contaminants of the environment. Their presence in the environment, especially in water, is hazardous because they cause human beings to become more susceptible to disease. For these reasons, it is essential to...
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Interpretable Deep Learning Model for the Detection and Reconstruction of Dysarthric Speech
PublikacjaWe present a novel deep learning model for the detection and reconstruction of dysarthric speech. We train the model with a multi-task learning technique to jointly solve dysarthria detection and speech reconstruction tasks. The model key feature is a low-dimensional latent space that is meant to encode the properties of dysarthric speech. It is commonly believed that neural networks are black boxes that solve problems but do not...
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An Intelligent Approach to Short-Term Wind Power Prediction Using Deep Neural Networks
PublikacjaIn this paper, an intelligent approach to the Short-Term Wind Power Prediction (STWPP) problem is considered, with the use of various types of Deep Neural Networks (DNNs). The impact of the prediction time horizon length on accuracy, and the influence of temperature on prediction effectiveness have been analyzed. Three types of DNNs have been implemented and tested, including: CNN (Convolutional Neural Networks), GRU (Gated Recurrent...