A comparative study of Gaussian process regression with other three machine learning approaches in the performance prediction of centrifugal pump

2021 ◽  
pp. 095440622110505
Author(s):  
Xutao Zhao ◽  
Desheng Zhang ◽  
Renhui Zhang ◽  
Bin Xu
Keyword(s):  
Machine Learning ◽  
Gaussian Process ◽  
Centrifugal Pump ◽  
Kernel Function ◽  
Performance Prediction ◽  
Optimization Design ◽  
Gaussian Process Regression ◽  
Kernel Functions ◽  
Performance Indices ◽  
Pump Performance

Accurate prediction of performance indices using impeller parameters is of great importance for the initial and optimal design of centrifugal pump. In this study, a kernel-based non-parametric machine learning method named with Gaussian process regression (GPR) was proposed, with the purpose of predicting the performance of centrifugal pump with less effort based on available impeller parameters. Nine impeller parameters were defined as model inputs, and the pump performance indices, that is, the head and efficiency, were determined as model outputs. The applicability of three widely used nonlinear kernel functions of GPR including squared exponential (SE), rational quadratic (RQ) and Matern5/2 was investigated, and it was found by comparing with the experimental data that the SE kernel function is more suitable to capture the relationship between impeller parameters and performance indices because of the highest R square and the lowest values of max absolute relative error (MARE), mean absolute proportional error (MAPE), and root mean square error (RMSE). In addition, the results predicted by GPR with SE kernel function were compared with the results given by other three machine learning models. The comparison shows that the GPR with SE kernel function is more accurate and robust than other models in centrifugal pump performance prediction, and its prediction errors and uncertainties are both acceptable in terms of engineering applications. The GPR method is less costly in the performance prediction of centrifugal pump with sufficient accuracy, which can be further used to effectively assist the design and manufacture of centrifugal pump and to speed up the optimization design process of impeller coupled with stochastic optimization methods.

Exchange Spin Coupling from Gaussian Process Regression

2020 ◽  
Author(s):  
Marc Philipp Bahlke ◽  
Natnael Mogos ◽  
Jonny Proppe ◽  
Carmen Herrmann
Keyword(s):  
Machine Learning ◽  
Gaussian Process ◽  
Gaussian Process Regression ◽  
Molecular Magnets ◽  
Molecular Structures ◽  
Spin Coupling ◽  
Structure Property ◽  
Data Set ◽  
Uncertainty Estimates

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.

scholarly journals Application of Gaussian Process Regression (GPR) in Gas Hydrate Mitigation

2021 ◽  
Vol 88 (2) ◽  
pp. 27-37
Author(s):  
Sachin Dev Suresh ◽  
Ali Qasim ◽  
Bhajan Lal ◽  
Syed Muhammad Imran ◽  
Khor Siak Foo
Keyword(s):  
Machine Learning ◽  
Gaussian Process ◽  
Gas Hydrate ◽  
Learning Algorithm ◽  
Hydrate Formation ◽  
Gaussian Process Regression ◽  
Normal Operation ◽  
Coefficient Of Determination ◽  
Gas Hydrate Formation ◽  
Testing Data

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.

Evaluation of Gaussian process regression kernel functions for improving groundwater prediction

2021 ◽  
pp. 126960
Author(s):  
Yue Pan ◽  
Xiankui Zeng ◽  
Hongxia Xu ◽  
Yuanyuan Sun ◽  
Dong Wang ◽  
...  
Keyword(s):  
Gaussian Process ◽  
Gaussian Process Regression ◽  
Kernel Functions

Topographic Kernels for Gaussian Process Regression in Digital Soil Mapping

2021 ◽  
Author(s):  
Thomas Gläßle ◽  
Kerstin Rau ◽  
Thomas Scholten ◽  
Philipp Hennig
Keyword(s):  
Gaussian Process ◽  
Domain Knowledge ◽  
Gaussian Process Regression ◽  
Kernel Functions ◽  
Soil Mapping ◽  
Digital Soil Mapping ◽  
Base Case ◽  
Training Samples ◽  
Additive Regression Model ◽  
Additive Regression

<p>Gaussian Processes provide a theoretically well-understood regression framework that is widely used in the context of Digital Soil Mapping. Among the reasons to use Gaussian Process Regression (GPR) are its interpretability, its builtin support for uncertainty quantification, and its ability to handle unevenly spaced and correlated training samples through a user-specified covariance kernel. The base case of GPR is performed with covariance models that are specified functions of Euclidean distance. In order to incorporate information other than the relative positions, regression-kriging extends GPR by an additive regression model of choice, and co-kriging considers a covariance model between covariates and the target variable. In this work, we use the alternative approach of incorporating topographic information directly into the kernel function by use of a non-Euclidean, non-stationary distance function. In particular, we devise kernels based on a path of least effort, where <em>effort</em> is locally specified as a function constructed from prior knowledge. It can e.g. be derived from local topographic variables. We demonstrate that our candidate models improve prediction accuracy over the base model. This shows that domain knowledge can be integrated into the model by means of handcrafted kernel functions. The approach is not per se restricted to topographic variables, but could be used for any covariate quantity that is available at output resolution.</p>

Soft sensor for the moisture content of crude oil based on multi-kernel Gaussian process regression optimized by an adaptive variable population fruit fly optimization algorithm

2019 ◽  
Vol 42 (4) ◽  
pp. 770-785 ◽  
Author(s):  
Kun Li ◽  
Wensu Xu ◽  
Ying Han ◽  
Fawei Ge ◽  
Yi’an Wang
Keyword(s):  
Moisture Content ◽  
Crude Oil ◽  
Gaussian Process ◽  
Kernel Function ◽  
Optimization Algorithm ◽  
Gaussian Process Regression ◽  
Fruit Fly ◽  
Fruit Fly Optimization Algorithm ◽  
Fruit Fly Optimization ◽  
Variable Population

In the practical oilfield production, it has great significance to realize timely and accurate measurement of the moisture content of crude oil. However, there are some drawbacks in the traditional measurement methods, such as: non-real time, high cost, labor-consume, vulnerability to environmental impacts, and so on. In order to solve these problems, a soft sensor model based on multi-kernel Gaussian process regression optimized by an adaptive variable population fruit fly optimization algorithm (APFOA-MKGPR) is presented in this paper. A multiple kernels-based Gaussian process regression method is utilized to deal with the practical production process characterised by multiple operating phases, noises, strong nonlinearity and dynamic. In the multi-kernel function, many parameters (five hyper-parameters in the multi-kernel function and three weights of each kernel function) need to be accurately given, which is difficult to be effectively optimized by the maximum likelihood estimation. So, a swarm intelligence-based adaptive variable population fruit fly optimization algorithm (APFOA) is proposed to train the best model parameters. A novel adaptive variable population mechanism is developed to adaptively adjust the population size and the random flight distance during the iterations, which can realize a combination of the global searching and the local searching for the optimal solutions. The proposed method is verified by four benchmark functions and the actual production data of one oil well, and experimental results show the effectiveness for accurate prediction of the moisture content of crude oil.

scholarly journals Towards estimation of CO2 adsorption on highly porous MOF-based adsorbents using gaussian process regression approach

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Majedeh Gheytanzadeh ◽  
Alireza Baghban ◽  
Sajjad Habibzadeh ◽  
Amin Esmaeili ◽  
Otman Abida ◽  
...  
Keyword(s):  
Gaussian Process ◽  
Fossil Fuels ◽  
Global Climate ◽  
Gaussian Process Regression ◽  
Accurate Estimate ◽  
Kernel Functions ◽  
Predictive Tool ◽  
Input Variables ◽  
Capture Techniques ◽  
The Impact

AbstractIn recent years, new developments in controlling greenhouse gas emissions have been implemented to address the global climate conservation concern. Indeed, the earth's average temperature is being increased mainly due to burning fossil fuels, explicitly releasing high amounts of CO2 into the atmosphere. Therefore, effective capture techniques are needed to reduce the concentration of CO2. In this regard, metal organic frameworks (MOFs) have been known as the promising materials for CO2 adsorption. Hence, study on the impact of the adsorption conditions along with the MOFs structural properties on their ability in the CO2 adsorption will open new doors for their further application in CO2 separation technologies as well. However, the high cost of the corresponding experimental study together with the instrument's error, render the use of computational methods quite beneficial. Therefore, the present study proposes a Gaussian process regression model with four kernel functions to estimate the CO2 adsorption in terms of pressure, temperature, pore volume, and surface area of MOFs. In doing so, 506 CO2 uptake values in the literature have been collected and assessed. The proposed GPR models performed very well in which the exponential kernel function, was shown as the best predictive tool with R2 value of 1. Also, the sensitivity analysis was employed to investigate the effectiveness of input variables on the CO2 adsorption, through which it was determined that pressure is the most determining parameter. As the main result, the accurate estimate of CO2 adsorption by different MOFs is obtained by briefly employing the artificial intelligence concept tools.

scholarly journals Optimal Kernel Selection Based on GPR for Adaptive Learning of Mean Throughput Rates in LTE Networks

2021 ◽  
Vol 1 (1) ◽  
pp. 1-21
Author(s):  
Joseph Isabona ◽  
Agbotiname Lucky Imoize
Keyword(s):  
Machine Learning ◽  
Adaptive Learning ◽  
Gaussian Process Regression ◽  
Kernel Functions ◽  
Computationally Efficient ◽  
Lte Networks ◽  
Evaluation Indexes ◽  
Kernel Selection ◽  
Optimal Kernel ◽  
4G Lte

Machine learning models and algorithms have been employed in various applications, from prognostic scrutinizing, learning and revealing patterns in data, knowledge extracting, and knowledge deducing. One promising computationally efficient and adaptive machine learning method is the Gaussian Process Regression (GPR). An essential ingredient for tuning the GPR performance is the kernel (covariance) function. The GPR models have been widely employed in diverse regression and functional approximation purposes. However, knowing the right GPR training to examine the impacts of the kernel functions on performance during implementation remains. In order to address this problem, a stepwise approach for optimal kernel selection is presented for adaptive optimal prognostic regression learning of throughput data acquired over 4G LTE networks. The resultant learning accuracy was statistically quantified using four evaluation indexes. Results indicate that the GPR training with the mertern52 kernel function achieved the best user throughput data learning among the ten contending Kernel functions.

scholarly journals Gaussian Process Prediction Model to Estimate Excess Adsorption Capacity of Supercritical CO2

2020 ◽  
Author(s):  
Narjes Nabipour ◽  
Sultan Noman Qasem ◽  
Amir Mosavi ◽  
Shahab Shamshirband
Keyword(s):  
Carbon Dioxide ◽  
Gaussian Process ◽  
Adsorption Capacity ◽  
Gaussian Process Regression ◽  
Kernel Functions ◽  
Excess Adsorption ◽  
Effective Parameters ◽  
Methane Recovery ◽  
Coal Beds ◽  
Process Prediction

Deep coal beds have been suggested as possible usable underground geological locations for carbon dioxide storage. Furthermore, injecting carbon dioxide into coal beds can improve the methane recovery. Due to importance of this issue, a novel investigation has been done on adsorption of carbon dioxide on various types of coal seam. This study has proposed four types of Gaussian Process Regression (GPR) approaches with different kernel functions to estimate excess adsorption of carbon dioxide in terms of temperature, pressure and composition of coal seams. The comparison of GPR outputs and actual excess adsorption expresses that proposed models have interesting accuracy and also the Exponential GPR approach has better performance than other ones. For this structure, R2=1, MRE=0.01542, MSE=0, RMSE=0.00019 and STD=0.00014 have been determined. Additionally, the impacts of effective parameters on excess adsorption capacity have been studied for the first time in literature. According to these results, the present work has valuable and useful tools for petroleum and chemical engineers who dealing with enhancement of recovery and environment protection.

scholarly journals Easy representation of multivariate functions with low-dimensional terms via Gaussian process regression kernel design: applications to machine learning of potential energy surfaces and kinetic energy densities from sparse data

2022 ◽  
Author(s):  
Sergei Manzhos ◽  
Eita Sasaki ◽  
Manabu Ihara
Keyword(s):  
Machine Learning ◽  
Kinetic Energy ◽  
Potential Energy ◽  
Gaussian Process ◽  
Potential Energy Surfaces ◽  
Gaussian Process Regression ◽  
Multivariate Functions ◽  
Low Dimensional ◽  
Energy Surfaces ◽  
Kernel Design

Abstract We show that Gaussian process regression (GPR) allows representing multivariate functions with low-dimensional terms via kernel design. When using a kernel built with HDMR (High-dimensional model representation), one obtains a similar type of representation as the previously proposed HDMR-GPR scheme while being faster and simpler to use. We tested the approach on cases where highly accurate machine learning is required from sparse data by fitting potential energy surfaces and kinetic energy densities.

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