scholarly journals Event-by-event non-rigid data-driven PET respiratory motion correction methods: comparison of principal component analysis and centroid of distribution

2019 ◽  
Vol 64 (16) ◽  
pp. 165014 ◽  
Author(s):  
Silin Ren ◽  
Yihuan Lu ◽  
Ottavia Bertolli ◽  
Kris Thielemans ◽  
Richard E Carson
2020 ◽  
Author(s):  
Xin Yi See ◽  
Benjamin Reiner ◽  
Xuelan Wen ◽  
T. Alexander Wheeler ◽  
Channing Klein ◽  
...  

<div> <div> <div> <p>Herein, we describe the use of iterative supervised principal component analysis (ISPCA) in de novo catalyst design. The regioselective synthesis of 2,5-dimethyl-1,3,4-triphenyl-1H- pyrrole (C) via Ti- catalyzed formal [2+2+1] cycloaddition of phenyl propyne and azobenzene was targeted as a proof of principle. The initial reaction conditions led to an unselective mixture of all possible pyrrole regioisomers. ISPCA was conducted on a training set of catalysts, and their performance was regressed against the scores from the top three principal components. Component loadings from this PCA space along with k-means clustering were used to inform the design of new test catalysts. The selectivity of a prospective test set was predicted in silico using the ISPCA model, and only optimal candidates were synthesized and tested experimentally. This data-driven predictive-modeling workflow was iterated, and after only three generations the catalytic selectivity was improved from 0.5 (statistical mixture of products) to over 11 (> 90% C) by incorporating 2,6-dimethyl- 4-(pyrrolidin-1-yl)pyridine as a ligand. The successful development of a highly selective catalyst without resorting to long, stochastic screening processes demonstrates the inherent power of ISPCA in de novo catalyst design and should motivate the general use of ISPCA in reaction development. </p> </div> </div> </div>


2022 ◽  
pp. 146808742110707
Author(s):  
Aran Mohammad ◽  
Reza Rezaei ◽  
Christopher Hayduk ◽  
Thaddaeus Delebinski ◽  
Saeid Shahpouri ◽  
...  

The development of internal combustion engines is affected by the exhaust gas emissions legislation and the striving to increase performance. This demands for engine-out emission models that can be used for engine optimization for real driving emission controls. The prediction capability of physically and data-driven engine-out emission models is influenced by the system inputs, which are specified by the user and can lead to an improved accuracy with increasing number of inputs. Thereby the occurrence of irrelevant inputs becomes more probable, which have a low functional relation to the emissions and can lead to overfitting. Alternatively, data-driven methods can be used to detect irrelevant and redundant inputs. In this work, thermodynamic states are modeled based on 772 stationary measured test bench data from a commercial vehicle diesel engine. Afterward, 37 measured and modeled variables are led into a data-driven dimensionality reduction. For this purpose, approaches of supervised learning, such as lasso regression and linear support vector machine, and unsupervised learning methods like principal component analysis and factor analysis are applied to select and extract the relevant features. The selected and extracted features are used for regression by the support vector machine and the feedforward neural network to model the NOx, CO, HC, and soot emissions. This enables an evaluation of the modeling accuracy as a result of the dimensionality reduction. Using the methods in this work, the 37 variables are reduced to 25, 22, 11, and 16 inputs for NOx, CO, HC, and soot emission modeling while maintaining the accuracy. The features selected using the lasso algorithm provide more accurate learning of the regression models than the extracted features through principal component analysis and factor analysis. This results in test errors RMSETe for modeling NOx, CO, HC, and soot emissions 19.22 ppm, 6.46 ppm, 1.29 ppm, and 0.06 FSN, respectively.


2018 ◽  
Vol 857 (1) ◽  
pp. 55 ◽  
Author(s):  
Gergely Hajdu ◽  
István Dékány ◽  
Márcio Catelan ◽  
Eva K. Grebel ◽  
Johanna Jurcsik

2020 ◽  
Vol 23 (11) ◽  
pp. 2414-2430
Author(s):  
Khaoula Ghoulem ◽  
Tarek Kormi ◽  
Nizar Bel Hadj Ali

In the general framework of data-driven structural health monitoring, principal component analysis has been applied successfully in continuous monitoring of complex civil infrastructures. In the case of linear or polynomial relationship between monitored variables, principal component analysis allows generation of structured residuals from measurement outputs without a priori structural model. The principal component analysis has been widely used for system monitoring based on its ability to handle high-dimensional, noisy, and highly correlated data by projecting the data onto a lower dimensional subspace that contains most of the variance of the original data. However, for nonlinear systems, it could be easily demonstrated that linear principal component analysis is unable to disclose nonlinear relationships between variables. This has naturally motivated various developments of nonlinear principal component analysis to tackle damage diagnosis of complex structural systems, especially those characterized by a nonlinear behavior. In this article, a data-driven technique for damage detection in nonlinear structural systems is presented. The proposed method is based on kernel principal component analysis. Two case studies involving nonlinear cable structures are presented to show the effectiveness of the proposed methodology. The validity of the kernel principal component analysis–based monitoring technique is shown in terms of the ability to damage detection. Robustness to environmental effects and disturbances are also studied.


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