Computation最新文献

{"title":"Systematic Review of Forecasting Models Using Evolving Fuzzy Systems","authors":"Sebastian-Camilo Vanegas-Ayala, Julio Barón-Velandia, Efrén Romero-Riaño","doi":"10.3390/computation12080159","DOIUrl":"https://doi.org/10.3390/computation12080159","url":null,"abstract":"Currently, the increase in devices capable of continuously collecting data on non-stationary and dynamic variables affects predictive models, particularly if they are not equipped with algorithms capable of adapting their parameters and structure, causing them to be unable to perceive certain time-varying properties or the presence of missing data in data streams. A constantly developing solution to such problems is evolving fuzzy inference systems. The aim of this work was to systematically review forecasting models implemented through evolving fuzzy inference systems, identifying the most common structures, implementation outcomes, and predicted variables to establish an overview of the current state of this technique and its possible applications in other unexplored fields. This research followed the PRISMA methodology of systematic reviews, including scientific articles and patents from three academic databases, one of which offers free access. This was achieved through an identification, selection, and inclusion workflow, obtaining 323 records on which analyses were carried out based on the proposed review questions. In total, 62 investigations were identified, proposing 115 different system structures, mainly focused on increasing precision, in addition to addressing eight main fields of application and some optimization techniques. It was observed that these systems have been successfully implemented in forecasting variables with dynamic behavior and handling missing values, continuous data flows, and non-stationary characteristics. Thus, their use can be extended to phenomena with these properties.","PeriodicalId":52148,"journal":{"name":"Computation","volume":null,"pages":null},"PeriodicalIF":1.9,"publicationDate":"2024-08-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141928584","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Identification and Dynamics Understanding of Novel Inhibitors of Peptidase Domain of Collagenase G from Clostridium histolyticum","authors":"F. Anjum, Ali Hazazi, F. Alsaeedi, Maha Bakhuraysah, Alaa Shafie, Norah Ali Alshehri, Nahed Hawsawi, A. Ashour, H. Banjer, Afaf Alharthi, Maryam Ishrat Niaz","doi":"10.3390/computation12080153","DOIUrl":"https://doi.org/10.3390/computation12080153","url":null,"abstract":"Clostridium histolyticum is a Gram-positive anaerobic bacterium belonging to the Clostridium genus. It produces collagenase, an enzyme involved in breaking down collagen which is a key component of connective tissues. However, antimicrobial resistance (AMR) poses a great challenge in combating infections caused by this bacteria. The lengthy nature of traditional drug development techniques has resulted in a shift to computer-aided drug design and other modern drug discovery approaches. The above method offers a cost-effective means for gathering comprehensive information about how ligands interact with their target proteins. The objective of this study is to create novel, explicit drugs that specifically inhibit the C. histolyticum collagenase enzyme. Through structure-based virtual screening, a library containing 1830 compounds was screened to identify potential drug candidates against collagenase enzymes. Following that, molecular dynamic (MD) simulation was performed in an aqueous solution to evaluate the behavior of protein and ligand in a dynamic environment while density functional theory (DFT) analysis was executed to predict the molecular properties and structure of lead compounds, and the WaterSwap technique was utilized to obtain insights into the drug–protein interaction with water molecules. Furthermore, principal component analysis (PCA) was performed to reveal conformational changes, salt bridges to express electrostatic interaction and protein stability, and absorption, distribution, metabolism, excretion, and toxicity (ADMET) to assess the pharmacokinetics profile of top compounds and control molecules. Three potent drug candidates were identified MSID000001, MSID000002, MSID000003, and the control with a binding score of −10.7 kcal/mol, −9.8 kcal/mol, −9.5 kcal/mol, and −8 kcal/mol, respectively. Furthermore, Molecular Mechanics Poisson–Boltzmann Surface Area (MMPBSA) analysis of the simulation trajectories revealed energy scores of −79.54 kcal/mol, −73.99 kcal/mol, −62.26 kcal/mol, and −70.66 kcal/mol, correspondingly. The pharmacokinetics properties exhibited were under the acceptable range. The compounds hold the potential to be novel drugs; therefore, further investigation needs to be conducted to find out their anti-collagenase action against C. histolyticum infections and antibiotic resistance.","PeriodicalId":52148,"journal":{"name":"Computation","volume":null,"pages":null},"PeriodicalIF":1.9,"publicationDate":"2024-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141805941","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Ultrashort Echo Time and Fast Field Echo Imaging for Spine Bone Imaging with Application in Spondylolysis Evaluation","authors":"Diana Vucevic, Vadim Malis, Yuichi Yamashita, Anya Mesa, Tomosuke Yamaguchi, Suraj Achar, Mitsue Miyazaki, Won C. Bae","doi":"10.3390/computation12080152","DOIUrl":"https://doi.org/10.3390/computation12080152","url":null,"abstract":"Isthmic spondylolysis is characterized by a stress injury to the pars interarticularis bones of the lumbar spines and is often missed by conventional magnetic resonance imaging (MRI), necessitating a computed tomography (CT) for accurate diagnosis. We compare MRI techniques suitable for producing CT-like images. Lumbar spines of asymptomatic and low back pain (LBP) subjects were imaged at 3-Tesla with multi-echo ultrashort echo time (UTE) and field echo (FE) sequences followed by simple post-processing of averaging and inverting to depict spinal bones with a CT-like appearance. The contrast-to-noise ratio (CNR) for bone was determined to compare UTE vs. FE and single-echo vs. multi-echo data. Visually, both sequences depicted cortical bone with good contrast; UTE-processed sequences provided a flatter contrast for soft tissues that made them easy to distinguish from bone, while FE-processed images had better resolution and bone–muscle contrast, which are important for fracture detection. Additionally, multi-echo images provided significantly (p = 0.03) greater CNR compared with single-echo images. Using these techniques, progressive spondylolysis was detected in an LBP subject. This study demonstrates the feasibility of using spine bone MRI to yield CT-like contrast. Through the employment of multi-echo UTE and FE sequences combined with simple processing, we observe sufficient enhancements in image quality and contrast to detect pars fractures.","PeriodicalId":52148,"journal":{"name":"Computation","volume":null,"pages":null},"PeriodicalIF":1.9,"publicationDate":"2024-07-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141808378","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Using Machine Learning Algorithms to Develop a Predictive Model for Computing the Maximum Deflection of Horizontally Curved Steel I-Beams","authors":"Elvis M. Ababu, George Markou, Sarah Skorpen","doi":"10.3390/computation12080151","DOIUrl":"https://doi.org/10.3390/computation12080151","url":null,"abstract":"Horizontally curved steel I-beams exhibit a complicated mechanical response as they experience a combination of bending, shear, and torsion, which varies based on the geometry of the beam at hand. The behaviour of these beams is therefore quite difficult to predict, as they can fail due to either flexure, shear, torsion, lateral torsional buckling, or a combination of these types of failure. This therefore necessitates the usage of complicated nonlinear analyses in order to accurately model their behaviour. Currently, little guidance is provided by international design standards in consideration of the serviceability limit states of horizontally curved steel I-beams. In this research, an experimentally validated dataset was created and was used to train numerous machine learning (ML) algorithms for predicting the midspan deflection at failure as well as the failure load of numerous horizontally curved steel I-beams. According to the experimental and numerical investigation, the deep artificial neural network model was found to be the most accurate when used to predict the validation dataset, where a mean absolute error of 6.4 mm (16.20%) was observed. This accuracy far surpassed that of Castigliano’s second theorem, where the mean absolute error was found to be equal to 49.84 mm (126%). The deep artificial neural network was also capable of estimating the failure load with a mean absolute error of 30.43 kN (22.42%). This predictive model, which is the first of its kind in the international literature, can be used by professional engineers for the design of curved steel I-beams since it is currently the most accurate model ever developed.","PeriodicalId":52148,"journal":{"name":"Computation","volume":null,"pages":null},"PeriodicalIF":1.9,"publicationDate":"2024-07-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141808823","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Modelling the Impact of Cloud Storage Heterogeneity on HPC Application Performance","authors":"Jack D. Marquez, Oscar H. Mondragon","doi":"10.3390/computation12070150","DOIUrl":"https://doi.org/10.3390/computation12070150","url":null,"abstract":"Moving high-performance computing (HPC) applications from HPC clusters to cloud computing clusters, also known as the HPC cloud, has recently been proposed by the HPC research community. Migrating these applications from the former environment to the latter can have an important impact on their performance, due to the different technologies used and the suboptimal use and configuration of cloud resources such as heterogeneous storage. Probabilistic models can be applied to predict the performance of these applications and to optimise them for the new system. Modelling the performance in the HPC cloud of applications that use heterogeneous storage is a difficult task, due to the variations in performance. This paper presents a novel model based on Extreme Value Theory (EVT) for the analysis, characterisation and prediction of the performance of HPC applications that use heterogeneous storage technologies in the cloud and high-performance distributed parallel file systems. Unlike standard approaches, our model focuses on extreme values, capturing the true variability and potential bottlenecks in storage performance. Our model is validated using return level analysis to study the performance of representative scientific benchmarks running on heterogeneous cloud storage at a large scale and gives prediction errors of less than 7%.","PeriodicalId":52148,"journal":{"name":"Computation","volume":null,"pages":null},"PeriodicalIF":1.9,"publicationDate":"2024-07-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141820762","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Multilevel Quasi-Interpolation on Chebyshev Sparse Grids","authors":"Faisal Alsharif","doi":"10.3390/computation12070149","DOIUrl":"https://doi.org/10.3390/computation12070149","url":null,"abstract":"This paper investigates the potential of utilising multilevel quasi-interpolation techniques on Chebyshev sparse grids for complex numerical computations. The paper starts by laying down the motivations for choosing Chebyshev sparse grids and quasi-interpolation methods with Gaussian kernels. It delves into the practical aspects of implementing these techniques. Various numerical experiments are performed to evaluate the efficiency and limitations of the multilevel quasi-sparse interpolation methods with dimensions two dimension and three dimension. The work ultimately aims to provide a comprehensive understanding of the computational efficiency and accuracy achievable through this approach, comparing its performance with traditional methods.","PeriodicalId":52148,"journal":{"name":"Computation","volume":null,"pages":null},"PeriodicalIF":1.9,"publicationDate":"2024-07-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141827521","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Mathematical Modeling of the Heat Transfer Process in Spherical Objects with Flat, Cylindrical and Spherical Defects","authors":"Pavel Balabanov, Andrey Egorov, Alexander G. Divin, Sergey Ponomarev, Victor Yudaev, Sergey Baranov, Huthefa Abu Zetoonh","doi":"10.3390/computation12070148","DOIUrl":"https://doi.org/10.3390/computation12070148","url":null,"abstract":"This paper proposes a method for determining the optimal parameters for the thermal testing of plant tissues of fruits and vegetables containing surface and subsurface defects in the form of areas of plant tissues with different thermophysical characteristics. Based on well-known mathematical models for objects of predominantly flat, cylindrical and spherical shapes containing flat, spherical and cylindrical regions of defects, numerical solutions of three-dimensional, non-stationary temperature fields were found, making it possible to measure the power and time of the thermal exposure of the sample surface to the radiation from infrared lamps using the finite element method. This made it possible to ensure the reliable detection of a temperature contrast of up to 4 °C between the defect and defect-free regions of the test object using modern thermal imaging cameras. In this case, subsurface defects can be detected at a depth of up to 3 mm from the surface. To determine the parameters of mathematical models of temperature fields, such as thermal conductivity and a coefficient of the thermal diffusivity of plant tissues, a new method of a pulsed heat flux from a flat heater is proposed; this differs in the method of processing experimental data and makes it possible to determine the required characteristics with high accuracy during the active stage of the experiment in a period not exceeding 1–3 min.","PeriodicalId":52148,"journal":{"name":"Computation","volume":null,"pages":null},"PeriodicalIF":1.9,"publicationDate":"2024-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141830411","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Modeling the Properties of Magnetostrictive Elements Using Quantum Emulators","authors":"E. Karpukhin, Alexey Bormotov, Luiza Manukyan","doi":"10.3390/computation12070147","DOIUrl":"https://doi.org/10.3390/computation12070147","url":null,"abstract":"The article discusses mathematical and numerical methods for modeling magnetostrictive multielectronic systems based on a combination of quantum and classical methods. The algorithm development suitable for the investigation of magnetostrictive phenomena at the micro level using the classical-quantum method implemented on a modern classical computer is justified. The algorithms and structure of the software package are given. The adequacy of the quantum-classical method is verified by comparing the calculated results of the properties of known magnetostrictive materials with the real properties of magnetostrictive alloys.","PeriodicalId":52148,"journal":{"name":"Computation","volume":null,"pages":null},"PeriodicalIF":1.9,"publicationDate":"2024-07-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141647561","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Natural Convection Fluid Flow and Heat Transfer in a Valley-Shaped Cavity","authors":"S. Bhowmick, Laxmi Rani Roy, Feng Xu, Suvash C. Saha","doi":"10.3390/computation12070146","DOIUrl":"https://doi.org/10.3390/computation12070146","url":null,"abstract":"The phenomenon of natural convection is the subject of significant research interest due to its widespread occurrence in both natural and industrial contexts. This study focuses on investigating natural convection phenomena within triangular enclosures, specifically emphasizing a valley-shaped configuration. Our research comprehensively analyses unsteady, non-dimensional time-varying convection resulting from natural fluid flow within a valley-shaped cavity, where the inclined walls serve as hot surfaces and the top wall functions as a cold surface. We explore unsteady natural convection flows in this cavity, utilizing air as the operating fluid, considering a range of Rayleigh numbers from Ra = 100 to 108. Additionally, various non-dimensional times τ, spanning from 0 to 5000, are examined, with a fixed Prandtl number (Pr = 0.71) and aspect ratio (A = 0.5). Employing a two-dimensional framework for numerical analysis, our study focuses on identifying unstable flow mechanisms characterized by different non-dimensional times, including symmetric, asymmetric, and unsteady flow patterns. The numerical results reveal that natural convection flows remain steady in the symmetric state for Rayleigh values ranging from 100 to 7 × 103. Asymmetric flow occurs when the Ra surpasses 7 × 103. Under the asymmetric condition, flow arrives in an unsteady stage before stabilizing at the fully formed stage for 7 × 103 < Ra < 107. This study demonstrates that periodic unsteady flows shift into chaotic situations during the transitional stage before transferring to periodic behavior in the developed stage, but the chaotic flow remains predominant in the unsteady regime with larger Rayleigh numbers. Furthermore, we present an analysis of heat transfer within the cavity, discussing and quantifying its dependence on the Rayleigh number.","PeriodicalId":52148,"journal":{"name":"Computation","volume":null,"pages":null},"PeriodicalIF":1.9,"publicationDate":"2024-07-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141650327","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Fractional-Order Degn–Harrison Reaction–Diffusion Model: Finite-Time Dynamics of Stability and Synchronization","authors":"Ma'mon Abu Hammad, Issam Bendib, W. Alshanti, Ahmad Alshanty, Adel Ouannas, Amel Hioual, S. Momani","doi":"10.3390/computation12070144","DOIUrl":"https://doi.org/10.3390/computation12070144","url":null,"abstract":"This study aims to address the topic of finite-time synchronization within a specific subset of fractional-order Degn–Harrison reaction–diffusion systems. To achieve this goal, we begin with the introduction of a novel lemma specific for finite-time stability analysis. Diverging from existing criteria, this lemma represents a significant extension of prior findings, laying the groundwork for subsequent investigations. Building upon this foundation, we proceed to develop efficient dependent linear controllers designed to orchestrate finite-time synchronization. Leveraging the power of a Lyapunov function, we derive new, robust conditions that ensure the attainment of synchronization within a predefined time frame. This innovative approach not only enhances our understanding of finite-time synchronization, but also offers practical solutions for its realization in complex systems. To validate the efficacy and applicability of our proposed methodology, extensive numerical simulations are conducted. Through this comprehensive analysis, we aim to contribute valuable insights to the field of fractional-order reaction–diffusion systems while paving the way for practical implementations in real-world applications.","PeriodicalId":52148,"journal":{"name":"Computation","volume":null,"pages":null},"PeriodicalIF":1.9,"publicationDate":"2024-07-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141654191","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}