scholarly journals Can Machine Learning be Applied to Carbon Emissions Analysis: An Application to the CO2 Emissions Analysis Using Gaussian Process Regression

2021 ◽  
Vol 9 ◽  
Author(s):  
Ning Ma ◽  
Wai Yan Shum ◽  
Tingting Han ◽  
Fujun Lai
Keyword(s):  
Machine Learning ◽  
Literature Review ◽  
Gaussian Process ◽  
Carbon Emissions ◽  
Gaussian Process Regression ◽  
Parametric Modeling ◽  
Prediction Performance ◽  
Prediction Algorithm ◽  
Independent Variables ◽  
Nonparametric Kernel

In this paper, a nonparametric kernel prediction algorithm in machine learning is applied to predict CO2 emissions. A literature review has been conducted so that proper independent variables can be identified. Traditional parametric modeling approaches and the Gaussian Process Regression (GPR) algorithms were introduced, and their prediction performance was summarized. The reliability and efficiency of the proposed algorithms were then demonstrated through the comparison of the actual and the predicted results. The results showed that the GPR method can give the most accurate predictions on CO2 emissions.

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.

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.

scholarly journals Green LAI Mapping and Cloud Gap-Filling Using Gaussian Process Regression in Google Earth Engine

2021 ◽  
Vol 13 (3) ◽  
pp. 403
Author(s):  
Luca Pipia ◽  
Eatidal Amin ◽  
Santiago Belda ◽  
Matías Salinero-Delgado ◽  
Jochem Verrelst
Keyword(s):  
Machine Learning ◽  
Time Series ◽  
Gaussian Process ◽  
Gaussian Process Regression ◽  
Google Earth ◽  
Machine Learning Techniques ◽  
Gap Filling ◽  
Area Index ◽  
Uncertainty Estimates ◽  
Google Earth Engine

For the last decade, Gaussian process regression (GPR) proved to be a competitive machine learning regression algorithm for Earth observation applications, with attractive unique properties such as band relevance ranking and uncertainty estimates. More recently, GPR also proved to be a proficient time series processor to fill up gaps in optical imagery, typically due to cloud cover. This makes GPR perfectly suited for large-scale spatiotemporal processing of satellite imageries into cloud-free products of biophysical variables. With the advent of the Google Earth Engine (GEE) cloud platform, new opportunities emerged to process local-to-planetary scale satellite data using advanced machine learning techniques and convert them into gap-filled vegetation properties products. However, GPR is not yet part of the GEE ecosystem. To circumvent this limitation, this work proposes a general adaptation of GPR formulation to parallel processing framework and its integration into GEE. To demonstrate the functioning and utility of the developed workflow, a GPR model predicting green leaf area index (LAIG) from Sentinel-2 imagery was imported. Although by running this GPR model into GEE any corner of the world can be mapped into LAIG at a resolution of 20 m, here we show some demonstration cases over western Europe with zoom-ins over Spain. Thanks to the computational power of GEE, the mapping takes place on-the-fly. Additionally, a GPR-based gap filling strategy based on pre-optimized kernel hyperparameters is also put forward for the generation of multi-orbit cloud-free LAIG maps with an unprecedented level of detail, and the extraction of regularly-sampled LAIG time series at a pixel level. The ability to plugin a locally-trained GPR model into the GEE framework and its instant processing opens up a new paradigm of remote sensing image processing.

scholarly journals Automatic Quality Assessments of Laser Powder Bed Fusion Builds from Photodiode Sensor Measurements

2020 ◽  
Author(s):  
Sarini Jayasinghe ◽  
Paolo Paoletti ◽  
Chris Sutcliffe ◽  
John Dardis ◽  
Nick Jones ◽  
...  
Keyword(s):  
Machine Learning ◽  
Gaussian Process ◽  
Learning Algorithms ◽  
Gaussian Process Regression ◽  
Machine Learning Algorithms ◽  
Sensor Data ◽  
Powder Bed Fusion ◽  
Laser Powder Bed Fusion ◽  
Powder Bed ◽  
Part Density

This study evaluates whether a combination of photodiode sensor measurements, taken during laser powder bed fusion (L-PBF) builds, can be used to predict the resulting build quality via a purely data-based approach. We analyse the relationship between build density and features that are extracted from sensor data collected from three different photodiodes. The study uses a Singular Value Decomposition to extract lower-dimensional features from photodiode measurements, which are then fed into machine learning algorithms. Several unsupervised learning methods are then employed to classify low density (< 99% part density) and high density (≥ 99% part density) specimens. Subsequently, a supervised learning method (Gaussian Process regression) is used to directly predict build density. Using the unsupervised clustering approaches, applied to features extracted from both photodiode sensor data as well as observations relating to the energy transferred to the material, build density was predicted with up to 93.54% accuracy. With regard to the supervised regression approach, a Gaussian Process algorithm was capable of predicting the build density with a RMS error of 3.65%. The study shows, therefore, that there is potential for machine learning algorithms to predict indicators of L-PBF build quality from photodiode build-measurements. Moreover, the work herein describes approaches that are predominantly probabilistic, thus facilitating uncertainty quantification in machine-learnt predictions of L-PBF build quality.

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