Reliable data-driven modeling of high-frequency structures by means of nested kriging with enhanced design of experiments

2019 ◽  
Vol 36 (7) ◽  
pp. 2293-2308 ◽  
Author(s):  
Slawomir Koziel ◽  
Anna Pietrenko-Dabrowska

Purpose A framework for reliable modeling of high-frequency structures by nested kriging with an improved sampling procedure is developed and extensively validated. A comprehensive benchmarking including conventional kriging and previously reported design of experiments technique is provided. The proposed technique is also demonstrated in solving parameter optimization task. Design/methodology/approach The keystone of the proposed approach is to focus the modeling process on a small region of the parameter space (constrained domain containing high-quality designs with respect to the selected performance figures) instead of adopting traditional, hyper-cube-like domain defined by the lower and upper parameter bounds. A specific geometry of the domain is explored to improve a uniformity of the training data set. In consequence, the predictive power of the model is improved. Findings Building the model in a constrained domain allows for a considerable reduction of a training data set size without a necessity to either narrow down the parameter ranges or to reduce the parameter space dimensionality. Improving uniformity of training data set allocation permits further reduction of the computational cost of setting up the model. The proposed technique can be used to expedite the parameter optimization and enables locating good initial designs in a straightforward manner. Research limitations/implications The developed framework opens new possibilities inaccurate surrogate modeling of high-frequency structures described by a large number of geometry and/or material parameters. Further extensions can be investigated such as the inclusion of the sensitivity data into the model or exploration of the particular geometry of the model domain to further reduce the computational overhead of training data acquisition. Originality/value The efficiency of the proposed method has been demonstrated for modeling and parameter optimization of high-frequency structures. It has also been shown to outperform conventional kriging and previous constrained modeling approaches. To the authors’ knowledge, this approach to formulate and handle the modeling process is novel and permits the establishment of accurate surrogates in highly dimensional spaces and covering wide ranges of parameters.

2020 ◽  
Vol ahead-of-print (ahead-of-print) ◽  
Author(s):  
Che-Jung Chang ◽  
Chien-Chih Chen ◽  
Wen-Li Dai ◽  
Guiping Li

PurposeThe purpose of this paper is to develop a small data set forecasting method to improve the effectiveness when making managerial decisions.Design/methodology/approachIn the grey modeling process, appropriate background values are one of the key factors in determining forecasting accuracy. In this paper, grey compensation terms are developed to make more appropriate background values to further improve the forecasting accuracy of grey models.FindingsIn the experiment, three real cases were used to validate the effectiveness of the proposed method. The experimental results show that the proposed method can improve the accuracy of grey predictions. The results further indicate that background values determined by the proposed compensation terms can improve the accuracy of grey model in the three cases.Originality/valuePrevious studies determine appropriate background values within the limitation of traditional grey modeling process, while this study makes new background values without the limitation. The experimental results would encourage researchers to develop more accuracy grey models without the limitation when determining background values.


2018 ◽  
Vol 119 (6) ◽  
pp. 2265-2275 ◽  
Author(s):  
Seong-Cheol Park ◽  
Chun Kee Chung

The objective of this study was to introduce a new machine learning guided by outcome of resective epilepsy surgery defined as the presence/absence of seizures to improve data mining for interictal pathological activities in neocortical epilepsy. Electrocorticographies for 39 patients with medically intractable neocortical epilepsy were analyzed. We separately analyzed 38 frequencies from 0.9 to 800 Hz including both high-frequency activities and low-frequency activities to select bands related to seizure outcome. An automatic detector using amplitude-duration-number thresholds was used. Interictal electrocorticography data sets of 8 min for each patient were selected. In the first training data set of 20 patients, the automatic detector was optimized to best differentiate the seizure-free group from not-seizure-free-group based on ranks of resection percentages of activities detected using a genetic algorithm. The optimization was validated in a different data set of 19 patients. There were 16 (41%) seizure-free patients. The mean follow-up duration was 21 ± 11 mo (range, 13–44 mo). After validation, frequencies significantly related to seizure outcome were 5.8, 8.4–25, 30, 36, 52, and 75 among low-frequency activities and 108 and 800 Hz among high-frequency activities. Resection for 5.8, 8.4–25, 108, and 800 Hz activities consistently improved seizure outcome. Resection effects of 17–36, 52, and 75 Hz activities on seizure outcome were variable according to thresholds. We developed and validated an automated detector for monitoring interictal pathological and inhibitory/physiological activities in neocortical epilepsy using a data-driven approach through outcome-guided machine learning. NEW & NOTEWORTHY Outcome-guided machine learning based on seizure outcome was used to improve detections for interictal electrocorticographic low- and high-frequency activities. This method resulted in better separation of seizure outcome groups than others reported in the literature. The automatic detector can be trained without human intervention and no prior information. It is based only on objective seizure outcome data without relying on an expert’s manual annotations. Using the method, we could find and characterize pathological and inhibitory activities.


2013 ◽  
Vol 2013 ◽  
pp. 1-11 ◽  
Author(s):  
Xin Zhang ◽  
Qiang Yang ◽  
Weibo Deng

High Frequency Surface Wave Radar (HFSWR) can perform the functions of ocean environment monitoring, target detection, and target tracking over the horizon. However, its system's performance is always limited by the severe ionospheric clutter environment, especially by the nonhomogeneous component. The nonhomogeneous ionospheric clutter generally can cover a few Doppler shift units and a few angle units. Consequently, weak targets masked by the nonhomogeneous ionospheric clutter are difficult to be detected. In this paper, a novel algorithm based on angle-Doppler joint eigenvector which considers the angle-Doppler map of radar echoes is adopted to analyze the characteristics of the nonhomogeneous ionospheric clutter. Given the measured data set, we first investigate the correlation between the signal of interest (SOI) and the nonhomogeneous ionospheric clutter and then the correlation between the nonhomogeneous ionospheric clutters in different two ranges. Finally, a new strategy of training data selection is proposed to improve the joint domain localised (JDL) algorithm. Simulation results show that the improved-JDL algorithm is effective and the performance of weak target detection within nonhomogeneous ionospheric clutter is improved.


2016 ◽  
Vol 12 (4) ◽  
pp. 448-476 ◽  
Author(s):  
Amir Hosein Keyhanipour ◽  
Behzad Moshiri ◽  
Maryam Piroozmand ◽  
Farhad Oroumchian ◽  
Ali Moeini

Purpose Learning to rank algorithms inherently faces many challenges. The most important challenges could be listed as high-dimensionality of the training data, the dynamic nature of Web information resources and lack of click-through data. High dimensionality of the training data affects effectiveness and efficiency of learning algorithms. Besides, most of learning to rank benchmark datasets do not include click-through data as a very rich source of information about the search behavior of users while dealing with the ranked lists of search results. To deal with these limitations, this paper aims to introduce a novel learning to rank algorithm by using a set of complex click-through features in a reinforcement learning (RL) model. These features are calculated from the existing click-through information in the data set or even from data sets without any explicit click-through information. Design/methodology/approach The proposed ranking algorithm (QRC-Rank) applies RL techniques on a set of calculated click-through features. QRC-Rank is as a two-steps process. In the first step, Transformation phase, a compact benchmark data set is created which contains a set of click-through features. These feature are calculated from the original click-through information available in the data set and constitute a compact representation of click-through information. To find most effective click-through feature, a number of scenarios are investigated. The second phase is Model-Generation, in which a RL model is built to rank the documents. This model is created by applying temporal difference learning methods such as Q-Learning and SARSA. Findings The proposed learning to rank method, QRC-rank, is evaluated on WCL2R and LETOR4.0 data sets. Experimental results demonstrate that QRC-Rank outperforms the state-of-the-art learning to rank methods such as SVMRank, RankBoost, ListNet and AdaRank based on the precision and normalized discount cumulative gain evaluation criteria. The use of the click-through features calculated from the training data set is a major contributor to the performance of the system. Originality/value In this paper, we have demonstrated the viability of the proposed features that provide a compact representation for the click through data in a learning to rank application. These compact click-through features are calculated from the original features of the learning to rank benchmark data set. In addition, a Markov Decision Process model is proposed for the learning to rank problem using RL, including the sets of states, actions, rewarding strategy and the transition function.


2015 ◽  
Vol 24 (1) ◽  
pp. 135-143 ◽  
Author(s):  
Omer F. Alcin ◽  
Abdulkadir Sengur ◽  
Jiang Qian ◽  
Melih C. Ince

AbstractExtreme learning machine (ELM) is a recent scheme for single hidden layer feed forward networks (SLFNs). It has attracted much interest in the machine intelligence and pattern recognition fields with numerous real-world applications. The ELM structure has several advantages, such as its adaptability to various problems with a rapid learning rate and low computational cost. However, it has shortcomings in the following aspects. First, it suffers from the irrelevant variables in the input data set. Second, choosing the optimal number of neurons in the hidden layer is not well defined. In case the hidden nodes are greater than the training data, the ELM may encounter the singularity problem, and its solution may become unstable. To overcome these limitations, several methods have been proposed within the regularization framework. In this article, we considered a greedy method for sparse approximation of the output weight vector of the ELM network. More specifically, the orthogonal matching pursuit (OMP) algorithm is embedded to the ELM. This new technique is named OMP-ELM. OMP-ELM has several advantages over regularized ELM methods, such as lower complexity and immunity to the singularity problem. Experimental works on nine commonly used regression problems indicate that the investigated OMP-ELM method confirms these advantages. Moreover, OMP-ELM is compared with the ELM method, the regularized ELM scheme, and artificial neural networks.


2020 ◽  
Author(s):  
Romain Gaillac ◽  
Siwar Chibani ◽  
François-Xavier Coudert

<div> <div> <div> <p>The characterization of the mechanical properties of crystalline materials is nowadays considered a routine computational task in DFT calculations. However, its high computational cost still prevents it from being used in high-throughput screening methodologies, where a cheaper estimate of the elastic properties of a material is required. In this work, we have investigated the accuracy of force field calculations for the prediction of mechanical properties, and in particular for the characterization of the directional Poisson’s ratio. We analyze the behavior of about 600,000 hypothetical zeolitic structures at the classical level (a scale three orders of magnitude larger than previous studies), to highlight generic trends between mechanical properties and energetic stability. By comparing these results with DFT calculations on 991 zeolitic frameworks, we highlight the limitations of force field predictions, in particular for predicting auxeticity. We then used this reference DFT data as a training set for a machine learning algorithm, showing that it offers a way to build fast and reliable predictive models for anisotropic properties. The accuracies obtained are, in particular, much better than the current “cheap” approach for screening, which is the use of force fields. These results are a significant improvement over the previous work, due to the more difficult nature of the properties studied, namely the anisotropic elastic response. It is also the first time such a large training data set is used for zeolitic materials. </p></div></div></div><div><div><div> </div> </div> </div>


2020 ◽  
Author(s):  
Romain Gaillac ◽  
Siwar Chibani ◽  
François-Xavier Coudert

<div> <div> <div> <p>The characterization of the mechanical properties of crystalline materials is nowadays considered a routine computational task in DFT calculations. However, its high computational cost still prevents it from being used in high-throughput screening methodologies, where a cheaper estimate of the elastic properties of a material is required. In this work, we have investigated the accuracy of force field calculations for the prediction of mechanical properties, and in particular for the characterization of the directional Poisson’s ratio. We analyze the behavior of about 600,000 hypothetical zeolitic structures at the classical level (a scale three orders of magnitude larger than previous studies), to highlight generic trends between mechanical properties and energetic stability. By comparing these results with DFT calculations on 991 zeolitic frameworks, we highlight the limitations of force field predictions, in particular for predicting auxeticity. We then used this reference DFT data as a training set for a machine learning algorithm, showing that it offers a way to build fast and reliable predictive models for anisotropic properties. The accuracies obtained are, in particular, much better than the current “cheap” approach for screening, which is the use of force fields. These results are a significant improvement over the previous work, due to the more difficult nature of the properties studied, namely the anisotropic elastic response. It is also the first time such a large training data set is used for zeolitic materials. </p></div></div></div><div><div><div> </div> </div> </div>


2019 ◽  
Vol 64 (3) ◽  
Author(s):  
Walter Demczuk ◽  
Irene Martin ◽  
Pam Sawatzky ◽  
Vanessa Allen ◽  
Brigitte Lefebvre ◽  
...  

ABSTRACT The emergence of Neisseria gonorrhoeae strains that are resistant to azithromycin and extended-spectrum cephalosporins represents a public health threat, that of untreatable gonorrhea infections. Multivariate regression modeling was used to determine the contributions of molecular antimicrobial resistance determinants to the overall antimicrobial MICs for ceftriaxone, cefixime, azithromycin, tetracycline, ciprofloxacin, and penicillin. A training data set consisting of 1,280 N. gonorrhoeae strains was used to generate regression equations which were then applied to validation data sets of Canadian (n = 1,095) and international (n = 431) strains. The predicted MICs for extended-spectrum cephalosporins (ceftriaxone and cefixime) were fully explained by 5 amino acid substitutions in PenA, A311V, A501P/T/V, N513Y, A517G, and G543S; the presence of a disrupted mtrR promoter; and the PorB G120 and PonA L421P mutations. The correlation of predicted MICs within one doubling dilution to phenotypically determined MICs of the Canadian validation data set was 95.0% for ceftriaxone, 95.6% for cefixime, 91.4% for azithromycin, 98.2% for tetracycline, 90.4% for ciprofloxacin, and 92.3% for penicillin, with an overall sensitivity of 99.9% and specificity of 97.1%. The correlations of predicted MIC values to the phenotypically determined MICs were similar to those from phenotype MIC-only comparison studies. The ability to acquire detailed antimicrobial resistance information directly from molecular data will facilitate the transition to whole-genome sequencing analysis from phenotypic testing and can fill the surveillance gap in an era of increased reliance on nucleic acid assay testing (NAAT) diagnostics to better monitor the dynamics of N. gonorrhoeae.


2021 ◽  
Vol ahead-of-print (ahead-of-print) ◽  
Author(s):  
Zhengtuo Wang ◽  
Yuetong Xu ◽  
Guanhua Xu ◽  
Jianzhong Fu ◽  
Jiongyan Yu ◽  
...  

Purpose In this work, the authors aim to provide a set of convenient methods for generating training data, and then develop a deep learning method based on point clouds to estimate the pose of target for robot grasping. Design/methodology/approach This work presents a deep learning method PointSimGrasp on point clouds for robot grasping. In PointSimGrasp, a point cloud emulator is introduced to generate training data and a pose estimation algorithm, which, based on deep learning, is designed. After trained with the emulation data set, the pose estimation algorithm could estimate the pose of target. Findings In experiment part, an experimental platform is built, which contains a six-axis industrial robot, a binocular structured-light sensor and a base platform with adjustable inclination. A data set that contains three subsets is set up on the experimental platform. After trained with the emulation data set, the PointSimGrasp is tested on the experimental data set, and an average translation error of about 2–3 mm and an average rotation error of about 2–5 degrees are obtained. Originality/value The contributions are as follows: first, a deep learning method on point clouds is proposed to estimate 6D pose of target; second, a convenient training method for pose estimation algorithm is presented and a point cloud emulator is introduced to generate training data; finally, an experimental platform is built, and the PointSimGrasp is tested on the platform.


2021 ◽  
Vol ahead-of-print (ahead-of-print) ◽  
Author(s):  
Pengcheng Li ◽  
Qikai Liu ◽  
Qikai Cheng ◽  
Wei Lu

Purpose This paper aims to identify data set entities in scientific literature. To address poor recognition caused by a lack of training corpora in existing studies, a distant supervised learning-based approach is proposed to identify data set entities automatically from large-scale scientific literature in an open domain. Design/methodology/approach Firstly, the authors use a dictionary combined with a bootstrapping strategy to create a labelled corpus to apply supervised learning. Secondly, a bidirectional encoder representation from transformers (BERT)-based neural model was applied to identify data set entities in the scientific literature automatically. Finally, two data augmentation techniques, entity replacement and entity masking, were introduced to enhance the model generalisability and improve the recognition of data set entities. Findings In the absence of training data, the proposed method can effectively identify data set entities in large-scale scientific papers. The BERT-based vectorised representation and data augmentation techniques enable significant improvements in the generality and robustness of named entity recognition models, especially in long-tailed data set entity recognition. Originality/value This paper provides a practical research method for automatically recognising data set entities in scientific literature. To the best of the authors’ knowledge, this is the first attempt to apply distant learning to the study of data set entity recognition. The authors introduce a robust vectorised representation and two data augmentation strategies (entity replacement and entity masking) to address the problem inherent in distant supervised learning methods, which the existing research has mostly ignored. The experimental results demonstrate that our approach effectively improves the recognition of data set entities, especially long-tailed data set entities.


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