scholarly journals Differential Evolution Based Manifold Gaussian Process Machine Learning for Microwave Filter’s Parameter Extraction

IEEE Access ◽  
2020 ◽  
Vol 8 ◽  
pp. 146450-146462 ◽  
Author(s):  
Xuezhi Chen ◽  
Yubo Tian ◽  
Tianliang Zhang ◽  
Jing Gao
2020 ◽  
Author(s):  
Marc Philipp Bahlke ◽  
Natnael Mogos ◽  
Jonny Proppe ◽  
Carmen Herrmann

Heisenberg exchange spin coupling between metal centers is essential for describing and understanding the electronic structure of many molecular catalysts, metalloenzymes, and molecular magnets for potential application in information technology. We explore the machine-learnability of exchange spin coupling, which has not been studied yet. We employ Gaussian process regression since it can potentially deal with small training sets (as likely associated with the rather complex molecular structures required for exploring spin coupling) and since it provides uncertainty estimates (“error bars”) along with predicted values. We compare a range of descriptors and kernels for 257 small dicopper complexes and find that a simple descriptor based on chemical intuition, consisting only of copper-bridge angles and copper-copper distances, clearly outperforms several more sophisticated descriptors when it comes to extrapolating towards larger experimentally relevant complexes. Exchange spin coupling is similarly easy to learn as the polarizability, while learning dipole moments is much harder. The strength of the sophisticated descriptors lies in their ability to linearize structure-property relationships, to the point that a simple linear ridge regression performs just as well as the kernel-based machine-learning model for our small dicopper data set. The superior extrapolation performance of the simple descriptor is unique to exchange spin coupling, reinforcing the crucial role of choosing a suitable descriptor, and highlighting the interesting question of the role of chemical intuition vs. systematic or automated selection of features for machine learning in chemistry and material science.


2015 ◽  
Vol 40 (4) ◽  
pp. 687-699 ◽  
Author(s):  
Alex K. Goins ◽  
Ryan Carpenter ◽  
Weng-Keen Wong ◽  
Ravi Balasubramanian

2021 ◽  
Author(s):  
Gazmend Alia ◽  
Andi Buzo ◽  
Hannes Maier-Flaig ◽  
Klaus-Willi Pieper ◽  
Linus Maurer ◽  
...  

2021 ◽  
Vol 2021 ◽  
pp. 1-20
Author(s):  
Tuan Vu Dinh ◽  
Hieu Nguyen ◽  
Xuan-Linh Tran ◽  
Nhat-Duc Hoang

Soil erosion induced by rainfall is a critical problem in many regions in the world, particularly in tropical areas where the annual rainfall amount often exceeds 2000 mm. Predicting soil erosion is a challenging task, subjecting to variation of soil characteristics, slope, vegetation cover, land management, and weather condition. Conventional models based on the mechanism of soil erosion processes generally provide good results but are time-consuming due to calibration and validation. The goal of this study is to develop a machine learning model based on support vector machine (SVM) for soil erosion prediction. The SVM serves as the main prediction machinery establishing a nonlinear function that maps considered influencing factors to accurate predictions. In addition, in order to improve the accuracy of the model, the history-based adaptive differential evolution with linear population size reduction and population-wide inertia term (L-SHADE-PWI) is employed to find an optimal set of parameters for SVM. Thus, the proposed method, named L-SHADE-PWI-SVM, is an integration of machine learning and metaheuristic optimization. For the purpose of training and testing the method, a dataset consisting of 236 samples of soil erosion in Northwest Vietnam is collected with 10 influencing factors. The training set includes 90% of the original dataset; the rest of the dataset is reserved for assessing the generalization capability of the model. The experimental results indicate that the newly developed L-SHADE-PWI-SVM method is a competitive soil erosion predictor with superior performance statistics. Most importantly, L-SHADE-PWI-SVM can achieve a high classification accuracy rate of 92%, which is much better than that of backpropagation artificial neural network (87%) and radial basis function artificial neural network (78%).


Author(s):  
Sachin Dev Suresh ◽  
Ali Qasim ◽  
Bhajan Lal ◽  
Syed Muhammad Imran ◽  
Khor Siak Foo

The production of oil and natural gas contributes to a significant amount of revenue generation in Malaysia thereby strengthening the country’s economy. The flow assurance industry is faced with impediments during smooth operation of the transmission pipeline in which gas hydrate formation is the most important. It affects the normal operation of the pipeline by plugging it. Under high pressure and low temperature conditions, gas hydrate is a crystalline structure consisting of a network of hydrogen bonds between host molecules of water and guest molecules of the incoming gases. Industry uses different types of chemical inhibitors in pipeline to suppress hydrate formation. To overcome this problem, machine learning algorithm has been introduced as part of risk management strategies. The objective of this paper is to utilize Machine Learning (ML) model which is Gaussian Process Regression (GPR). GPR is a new approach being applied to mitigate the growth of gas hydrate. The input parameters used are concentration and pressure of Carbon Dioxide (CO2) and Methane (CH4) gas hydrates whereas the output parameter is the Average Depression Temperature (ADT). The values for the parameter are taken from available data sets that enable GPR to predict the results accurately in terms of Coefficient of Determination, R2 and Mean Squared Error, MSE. The outcome from the research showed that GPR model provided with highest R2 value for training and testing data of 97.25% and 96.71%, respectively. MSE value for GPR was also found to be lowest for training and testing data of 0.019 and 0.023, respectively.


2021 ◽  
Author(s):  
Marc Huppmann ◽  
Klaus-Willi Pieper ◽  
Andi Buzo ◽  
Linus Maurer ◽  
Georg Pelz

Author(s):  
N. Klokkou ◽  
J. Gorecki ◽  
V. Apostolopoulos

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