Gaussian Process Regression Research Articles

CO2 emission from the electricity sector in Iran; calculation, prediction and reduction policies

Fossil fuel power plants produce a significant amount of CO2 emissions, and this pollutant causes global warming, respiratory and heart diseases, and other significant issues. Electricity interprets as a primary and rising demand in each energy system; thus, in this paper, carbon dioxide (CO2) emission reduction was selected as the objective value for 2025. Power plant fuel consumption was surveyed to calculate the CO2 emission caused by each fuel. Also, Esfahan province (an industrial province in Iran) was investigated as the study case. Forecasting the fuel consumption for 2025 was run by two parameters: population and Gross Domestic Production (GDP), which were forecasted by the report of the Iran Statics Center and the Gaussian Process Regression (GPR) method, respectively. The CO2 emission of power plants was obtained using the coefficients of each fuel. Based on Iran's commitment to the Paris Agreement, a 4% reduction of CO2 emissions is the main objective. Thus, this study aims to reach this goal by implementing four scenarios: a) adding renewable energies, b) adding renewable energies and improving the generation efficiency, c) adding renewable energies and decreasing the grid losses, and d) combining the three scenarios mentioned above. According to these scenarios, reformation strategies compensated 10.5% of the required power, which was satisfied by renewable energies, and finally, this province can gradually satisfy a 4% reduction until 2025.

Robust Gaussian Process Regression Method for Efficient Tunneling Pathway Optimization: Application to Surface Processes.

Simulation of surface processes is a key part of computational chemistry that offers atomic-scale insights into mechanisms of heterogeneous catalysis, diffusion dynamics, and quantum tunneling phenomena. The most common theoretical approaches involve optimization of reaction pathways, including semiclassical tunneling pathways (called instantons). The computational effort can be demanding, especially for instanton optimizations with an ab initio electronic structure. Recently, machine learning has been applied to accelerate reaction-pathway optimization, showing great potential for a wide range of applications. However, previous methods still suffer from numerical and efficiency issues and were not designed for condensed-phase reactions. We propose an improved framework based on Gaussian process regression for general transformed coordinates, which has improved efficiency and numerical stability, and we propose a descriptor that combines internal and Cartesian coordinates suitable for modeling surface processes. We demonstrate with 11 instanton optimizations in three representative systems that the improved approach makes ab initio instanton optimization significantly cheaper, such that it becomes not much more expensive than a classical transition-state theory rate calculation.

Effect of Human Head Shape on the Risk of Traumatic Brain Injury: A Gaussian Process Regression-based Machine Learning Approach.

Computational head injury models are promising tools for understanding and predicting traumatic brain injuries. However, most available head injury models are "average" models that employ a single set of head geometry (e.g., 50th-percentile U.S. male) without considering variability in these parameters across the human population. A significant variability of head shapes exists in U.S. Army soldiers, evident from the Anthropometric Survey of U.S. Army Personnel (ANSUR II). The objective of this study is to elucidate the effects of head shape on the predicted risk of traumatic brain injury from computational head injury models. Magnetic resonance imaging scans of 25 human subjects are collected. These images are registered to the standard MNI152 brain atlas, and the resulting transformation matrix components (called head shape parameters) are used to quantify head shapes of the subjects. A generative machine learning model is used to generate 25 additional head shape parameter datasets to augment our database. Head injury models are developed for these head shapes, and a rapid injurious head rotation event is simulated to obtain several brain injury predictor variables (BIPVs): Peak cumulative maximum principal strain (CMPS), average CMPS, and the volume fraction of brain exceeding an injurious CMPS threshold. A Gaussian process regression model is trained between head shape parameters and BIPVs, which is then used to study the relative sensitivity of the various BIPVs on individual head shape parameters. We distinguish head shape parameters into 2 types: Scaling components ${T_{xx}}$, ${T_{yy}}$, and ${T_{zz}}$ that capture the breadth, length, and height of the head, respectively, and shearing components (${T_{xy}},{T_{xz}},{T_{yx}},{T_{yz}},{T_{zx}}$, and ${T_{zy}}$) that capture the relative skewness of the head shape. An overall positive correlation is evident between scaling components and BIPVs. Notably, a very high, positive correlation is seen between the BIPVs and the head volume. As an example, a 57% increase in peak CMPS was noted between the smallest and the largest investigated head volume parameters. The variation in shearing components ${T_{xy}},{T_{xz}},{T_{yx}},{T_{yz}},{T_{zx}}$, and ${T_{zy}}$ on average does not cause notable changes in the BIPVs. From the Gaussian process regression model, all 3 BIPVs showed an increasing trend with each of the 3 scaling components, but the BIPVs are found to be most sensitive to the height dimension of the head. From the Sobol sensitivity analysis, the ${T_{zz}}$ scaling parameter contributes nearly 60% to the total variance in peak and average CMPS; ${T_{yy}}$ contributes approximately 20%, whereas ${T_{xx}}$ contributes less than 5%. The remaining contribution is from the 6 shearing components. Unlike peak and average CMPS, the VF-CMPS BIPV is associated with relatively evenly distributed Sobol indices across the 3 scaling parameters. Furthermore, the contribution of shearing components on the total variance in this case is negligible. Head shape has a considerable influence on the injury predictions of computational head injury models. Available "average" head injury models based on a 50th-percentile U.S. male are likely associated with considerable uncertainty. In general, larger head sizes correspond to greater BIPV magnitudes, which point to potentially a greater injury risk under rapid neck rotation for people with larger heads.

Combining spectrum, thermal, and texture features using machine learning algorithms for wheat nitrogen nutrient index estimation and model transferability analysis

The nitrogen nutrition index (NNI) has been extensively applied for the diagnosis of crop nitrogen status, providing insights into efficient nitrogen utilization and plant growth. In this study, we utilized a low-altitude unmanned aerial vehicle (UAV) platform, equipped with multispectral (MS), red–green–blue (RGB), and thermal infrared (TIR) cameras, to comprehensively capture wheat spectral information. The analysis of the relationship between NNI and relative yield revealed an initially linear relationship, which saturated for high NNI values. To enhance accuracy and minimize complexity, we employed a random forest (RF) – recursive feature elimination (RFE) method to select features as inputs for four machine learning (ML) models: back propagation neural network (BPNN), extreme learning machine (ELM), support vector regression (SVR), and Gaussian process regression (GPR). After feature selection, the prediction accuracies of single-sensor models were ranked as: MS > RGB > TIR. The R2 values for the four ML models were in the range of 0.54–0.75. Among multi-sensor combinations, the GPR with MS + RGB + TIR input features achieved the best results with R2 = 0.89 and RPD = 2.52. Further, the dataset was partitioned into six subsets based on location and cultivar variety to evaluate model transferability. The results showed that the transferability largely suffered during the bivariate conditions of different varieties at different locations; the transferability of the model was average improved by 11 % when GPR was combined with transfer component analysis (TCA). The accuracy and transferability of the NNI estimation models significantly improved, offering valuable guidance and methodological support for diagnosing the nitrogen nutrient status of wheat.

Enabling efficient regional seismic fragility assessment of multi‐component bridge portfolios through Gaussian process regression and active learning

AbstractRegional seismic fragility assessment of bridge portfolios must address the embedded uncertainties and variations stemming from both the earthquake hazard and bridge attributes (e.g., geometry, material, design detail). To achieve bridge‐specific fragility assessment, multivariate probabilistic seismic demand models (PSDM) have recently been developed that use both the ground motion intensity measure and bridge parameters as inputs. However, explicitly utilizing bridge parameters as inputs requires numerous nonlinear response history analyses (NRHAs). In this situation, the associated computational cost increases exponentially for high‐fidelity bridge models with complex component connectivity and sophisticated material constitutive laws. Moreover, it remains unclear how many analyses are sufficient for the response data and the resulting demand model to cover the entire solution space without overfitting. To deal with these issues, this study integrates Gaussian process regression (GPR) and active learning (AL) into a multistep workflow to achieve efficient regional seismic fragility assessment of bridge portfolios. The GPR relaxes the probability distribution assumptions made in typical cloud analysis‐based PSDMs to enable heteroskedastic nonparametric seismic demand modeling. The AL leverages the varying standard deviation to select the least but most representative bridge‐model‐ground‐motion sample pairs to conduct NRHA with much‐improved efficiency. Both independent and correlated multi‐output GPRs are proposed to deal with bridge portfolios with seismic demand correlations among multiple components (column, bearing, shear key, abutment, unseating, and joint seal). Considering a single benchmark highway bridge class in California as the case study, the AL‐GPR framework and the associated component‐level fragility results are investigated in terms of their efficiency, accuracy, and robustness. The fragility results show that 70 AL‐selected samples would enable the GPR to derive bridge‐specific fragility models comparable to the ones using the multiple stripes analysis approach with 1950 ground motions considered for each individual bridge. The AL‐GPR model also successfully captures the physics of how bridge span length, deck area, column slenderness, and steel reinforcement ratio would change the damage state exceedance probabilities of different bridge components. The efficiency of AL stems from the fact that, with the multi‐output independent GPR, a stable and reliable fragility model can be achieved using 50 AL‐selected samples compared to at least 270 randomly chosen samples. The proposed methodology advances the state of the art in enabling more efficient and reliable regional seismic fragility assessment of multi‐component bridge portfolios.

A Physics-based Model Assisted by Machine-Learning for Sodium-ion Batteries with both Liquid and Solid Electrolytes

Abstract In the absence of experimental data of a fully developed hierarchical 3D sodium solid state batteries, we developed an improved continuum model by relying on Machine Learning-assisted parameter fitting to uncover the intrinsic material properties that can be transferred into different battery models. The electrochemical system simulated has sodium metal P2-type Na2/3[Ni1/3Fe1/12Mn7/12]O2 (NNFMO) as the cathode, paired with two types of electrolytes have been modeled viz, the organic liquid electrolyte and a solid polymer electrolyte. We implemented a 1D continuum model in COMSOL to suit both liquid and solid electrolytes, then used a Gaussian Process Regressor to fit and evaluate the electrochemical parameters in both battery systems. To enhance the generalizability of our model, the liquid cell and solid cell models share the same OCV input for the cathode materials. The resulting parameters are well aligned with their physical meaning and literature values. The continuum model is then used to understand the effect of increasing the thickness of the cathode and current density by analysing the cathode utilization, and the overpotentials arising from transport and charge transfer. This 1D model and the parameter set are ready to be used in a 3D battery architecture design.

Data-driven real-time fuel cetane estimation and control design for multifuel UAVs

Multifuel compression ignition (CI) engines have been proven to be useful for the aviation industry, especially for powering unmanned aerial vehicles (UAVs). To operate multifuel UAVs at desired operating conditions, an appropriate control strategy is needed that can adapt based on changing fuel properties. Therefore, having knowledge of fuel properties at all times is critical. However, the challenge comes in identifying fuel property in real-time when fuel switching happens during engine operation. The current work proposes a novel data-driven control algorithm for estimating fuel property (cetane number) and adapting the control strategy in real-time. Gaussian process regression (GPR) is used for modeling the multifuel CI engine, and feedforward control is developed to correct the control inputs based on the estimated fuel cetane property. For feedforward control development, model inversion of data-driven GPR is performed. Based on the estimated fuel property and using the feedforward table, the control strategy gets adjusted in real-time within one combustion cycle to avoid the system performance from drifting away beyond specified bounds. The entire approach was implemented and validated on an engine test bed. Fuel switching is performed in real time, and the results demonstrated the capability of the algorithm to maintain the desired performance.

A probabilistic fatigue life assessment method for wind turbine blade based on Bayesian GPR with the effects of pitch angle

AbstractThe fatigue behavior of large wind turbine blades is complex and stochastic due to their complex structure and operating environment. This paper focuses on developing a probabilistic fatigue life assessment method for wind turbine blades considering the uncertainties from wind velocity, material mechanical properties, pitch angle, and layer thickness. To improve the efficiency of stochastic fatigue behavior analysis of wind turbine blade, unidirectional fluid‐structure coupling (UFSC) and bidirectional fluid‐structure coupling (BFSC) analysis are employed to analyze the stochastic response. Then, Gaussian process regression (GPR) and Bayesian updating are combined to establish the stochastic fatigue behavior prediction model for wind turbine blade. On this basis, a modified S‐N curve formulation is proposed, and the fatigue life of wind turbine blade is analyzed by the modified S‐N curve and compared with the three‐parameter Weibull model. The results indicate that the proposed method for fatigue life assessment has better accuracy. The proposed probabilistic fatigue life assessment method with high accuracy and high efficiency, which is beneficial for the fatigue reliability design of wind turbine blades.

Uncertainty quantification in multivariable regression for material property prediction with Bayesian neural networks

With the increased use of data-driven approaches and machine learning-based methods in material science, the importance of reliable uncertainty quantification (UQ) of the predicted variables for informed decision-making cannot be overstated. UQ in material property prediction poses unique challenges, including multi-scale and multi-physics nature of materials, intricate interactions between numerous factors, limited availability of large curated datasets, etc. In this work, we introduce a physics-informed Bayesian Neural Networks (BNNs) approach for UQ, which integrates knowledge from governing laws in materials to guide the models toward physically consistent predictions. To evaluate the approach, we present case studies for predicting the creep rupture life of steel alloys. Experimental validation with three datasets of creep tests demonstrates that this method produces point predictions and uncertainty estimations that are competitive or exceed the performance of conventional UQ methods such as Gaussian Process Regression. Additionally, we evaluate the suitability of employing UQ in an active learning scenario and report competitive performance. The most promising framework for creep life prediction is BNNs based on Markov Chain Monte Carlo approximation of the posterior distribution of network parameters, as it provided more reliable results in comparison to BNNs based on variational inference approximation or related NNs with probabilistic outputs.

A physical simulation-machine learning model for optimal process schemes in laser-based directed energy deposition process

The major challenge faced is the definition of optimal process variables for rich quality of fabricated parts in laser-based directed energy deposition (DED-LB) processes. However, predicting the optimal process scheme using machine learning models is still challenging owing to the need for a large amount of training experimental data with high costs in DED-LB. In view of this, a physical simulation (PS)-machine learning (ML) model using a relatively small accurate data set of 31 simulation data for optimal process schemes is proposed in DED-LB process in this study. Firstly, a powder-scale high precision phenomenon model incorporating the mass transfer, phase transformations and heat transfer and using Lagrangian particle model to add mass is developed to depict the DED-LB process. Then, a Gaussian process regression (GPR) agent model is established to rapidly and accurately predict the geometry and dilution rate of deposition tracks under different manufacturing parameters based on the high precision simulation results. Finally, a PS-ML model for process parameter optimization is developed using the particle swarm algorithm (PSO), and the optimized parameters are experimentally validated. The results show that the developed powder-scale model and GPR model results are consistent with the Inconel 718 alloy experimental results. The proposed PS-ML model can increase the accuracy of the ML models even with a small simulation data set. None of PS-ML model optimization results has a relative error of more than 3% to the experimental results, and the dilution rate is reduced by up to 61.66% compared to the experimental design parameters without optimization. The proposed physical simulation-machine learning model in this study enables inexpensive and accurate optimization of DED-LB process parameters.

Machine-Learning-Based Kinetic-Free Hybrid Gray-Box Model to Predict Sulfuric-Acid-Catalyzed Esterification Reaction.

The sulfuric-acid-catalyzed esterification reaction of 2-butanol and propionic anhydride is a vital industrial process. In this paper, several experiments are conducted via reaction calorimetry to validate that both sulfuric and propionic acids have discernible catalytic effects on the reaction. This finding complicates the accurate description of the reaction kinetics through traditional methods. So this paper turns to a kinetic-free black-box model, Gaussian process regression (GPR) model via 24 experiments, as a more adaptable approach. Besides, the best GPR model is combined with traditional heat balance model to generate a hybrid gray-box model, which can give complete knowledge of reaction process. The hybrid gray-box model finally achieves maximum root-mean-square error (RMSE) of 0.0069 for conversion, 0.6535 for temperature, and 10.6087 for heat flow rate, underscoring its pretty good predictive ability.

Multiple measurements on the cosmic curvature using Gaussian process regression without calibration and a cosmological model

In this letter, we propose a novel cosmological model-independent method to determine cosmic curvature, combining the recent measurements of transverse and line-of-sight directions in the baryon acoustic oscillations (BAO) with cosmic chronometers (CC) datasets. Considering that the CC dataset is discrete and includes only 32 H(z) measurements, we apply Gaussian process (GP) regression to fit the CC dataset and reconstruct them. Our methodology, which does not need the calibration or selection of any cosmological model, provide multiple measurements of spatial curvature (ΩK) at different redshifts (depending on the redshift coverage of BAO dataset). For combination of all BAO data, we find that the constraint result on cosmic curvature is ΩK=−0.096−0.195+0.190 with 1σ observational uncertainty. Although the measured ΩK is in good agreement with zero cosmic curvature within 1σ confidence level, our result revels the fact of a closed universe. More importantly, our results show that the obtained ΩK measurements are almost unaffected by different priors of the Hubble constant. This could help solve the issue of the Hubble tension that may be caused by inconsistencies in the spatial curvature between the early and late universes.

Reliable smart models for estimating frictional pressure drop in two-phase condensation through smooth channels of varying sizes

Reliable and comprehensive predictive tools for the frictional pressure drop (FPD) are of particular importance for systems involving two-phase flow condensation. However, the available models are only applicable to specific operating conditions and channel sizes. Thus, this study aims at developing universal models to estimate the FPD during condensation inside smooth mini/micro and conventional (macro) channels. An extensive databank, comprising 8037 experimental samples and 23 working fluids from 50 reliable sources, was prepared to achieve this target. A comprehensive investigation on the literature models reflected the fact that all of them are associated with high deviations, and their average absolute relative errors (AAREs) exceed 26%. Hence, after identifying the most effective input variables through the Spearman's correlation analysis, three soft-computing paradigms, i.e., multilayer perceptron (MLP), gaussian process regression (GPR) and radial basis function (RBF) were employed to establish intelligent and dimensionless predictive tools for the FPD based on the separated model suggested by Lockhart and Martinelli. Among them, the most accurate results were presented by the GPR approach with AARE and R2\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$R^{2}$$\\end{document} values of 4.10%, 99.23% respectively, in the testing step. The truthfulness and applicability of the models were explored through an array of statistical and visual analyses, and the results affirmed the obvious superiority of the newly proposed approaches over the literature correlations. Furthermore, the novel predictive tools excellently described the physical variations of the condensation FPD versus the operating parameters. Ultimately, the order of importance of factors in controlling the condensation FPD was clarified by a sensitivity analysis.

Reverse engineering morphogenesis through Bayesian optimization of physics-based models

Morphogenetic programs coordinate cell signaling and mechanical interactions to shape organs. In systems and synthetic biology, a key challenge is determining optimal cellular interactions for predicting organ shape, size, and function. Physics-based models defining the subcellular force distribution facilitate this, but it is challenging to calibrate parameters in these models from data. To solve this inverse problem, we created a Bayesian optimization framework to determine the optimal cellular force distribution such that the predicted organ shapes match the experimentally observed organ shapes. This integrative framework employs Gaussian Process Regression, a non-parametric kernel-based probabilistic machine learning modeling paradigm, to learn the mapping functions relating to the morphogenetic programs that maintain the final organ shape. We calibrated and tested the method on Drosophila wing imaginal discs to study mechanisms that regulate epithelial processes ranging from development to cancer. The parameter estimation framework successfully infers the underlying changes in core parameters needed to match simulation data with imaging data of wing discs perturbed with collagenase. The computational pipeline identifies distinct parameter sets mimicking wild-type shapes. It enables a global sensitivity analysis to support the regulation of actomyosin contractility and basal ECM stiffness to generate and maintain the curved shape of the wing imaginal disc. The optimization framework, combined with experimental imaging, identified that Piezo, a mechanosensitive ion channel, impacts fold formation by regulating the apical-basal balance of actomyosin contractility and elasticity of ECM. This workflow is extensible toward reverse-engineering morphogenesis across organ systems and for real-time control of complex multicellular systems.

A novel decoupled approach combining invertible cross-entropy method with Gaussian process modeling for reliability-based design and topology optimization

Design optimization considering the presence of uncertainties in parameters poses an extremely challenging problem. The source of difficulties comes with reliability-based formulations, where addressing the probabilistic problem exhausts the large computing efforts for failure estimations of the structure violating limit-state functions (LSFs). This paper proposes a novel decoupled approach for effectively solving reliability-based design optimization (RBDO) problems, namely an invertible cross-entropy (iCE) method advantageously combined with a Gaussian process regression (GPR) model, termed as iCE-GPR. The GPR model is applied to approximate the spectrum of LSFs under random parameters. Furthermore, to enhance the accurate prediction of the system failure probability, an active learning process is applied to systematically refine the GPR model by adding new learning points in the region with the largest uncertainty and high-reliability sensitivity through the maximization of an expected feasibility function (EFF). Based on the updated GPR model, the failure probability is estimated by a cost-effective cross-entropy (CE) method without any calls to the actual performance function. To perform the decoupling optimization process with the reliability analysis, the novel iCE, based on the CE method, is developed to update the most probable point (MPP) assigned for the next deterministic optimization process in determining the new optimal design. The method iteratively performs the deterministic optimization process based on the MPP underpinning LSFs sequentially updated by the active learning process. The proposed iCE-GPR method fast-converges the optimal design and significantly alleviates computational burdens associated with reliability analyses. The proposed method is also applied to solve a reliability-based topology optimization (RBTO) problem. Four numerical examples for both the RBDO and RBTO problems are provided to illustrate efficiency and robustness of the proposed iCE-GPR method.

Application of machine learning in predicting the thermal conductivity of single-filler polymer composites

Polymer composites with superior thermal conductivity and low electrical conductivity are pivotal in the cooling of electronic devices. Despite their prevalence, the accurate prediction of the thermal conductivity of these composites remains a challenge. The emergence of machine learning (ML) provides a groundbreaking approach to solving this issue. In this study, we constructed a comprehensive dataset collected from previous experimental papers and successfully predicted the thermal conductivity of single-filler polymer composites using four ML regression algorithms: random forest regression (RFR), gradient boosting decision tree (GBDT), extreme gradient boosting (XGBoost), and Gaussian process regression (GPR). By employing feature engineering to select pertinent features from the original datasets, the accuracy of the four models on the test set was improved, among which GBDT exhibited the highest accuracy with the Pearson correlation coefficient value of 0.981. Factors such as filler volume fraction and matrix thermal conductivity significantly influence the thermal conductivity of composite materials, while the thermal conductivity of the fillers has a relatively minor impact. Additionally, we identified the topological polar surface area (TPSA) as a crucial descriptor for surface modifications, quantifying diverse surface-modifying agents. Due to the incorporation of more descriptors, ML models exhibit higher precision and broader applicability compared to empirical formulas. Our study provides an effective tool for predicting the thermal conductivity of polymer composites with single fillers and underscores the potential of machine learning in accelerating materials design.

Learning-based double layer control method of yaw stability simulation research for rear wheel independent drive electric tractor plowing operation

Complex field environments and variable soil conditions make tractor plowing operations susceptible to maneuvering instability, especially challenging in yaw stability. A learning-based double layer control (LDLC) method of yaw stability for rear wheel independent drive electric tractor (ET) plowing operation is proposed in this paper in order to solve this problem. Firstly, a sliding window self-learning traction resistance predictor is proposed based on Gaussian process regression (GPR) theory to predict the future traction resistance of plowing operation. Then, a discrete nonlinear model predictive control (NMPC) supervisor yaw stability controller is designed based on the dynamics model of the plowing unit and the tire-soil model to solve for the additional yaw torque required to maintain the yaw stability of the tractor. Finally, considering the additional yaw moment and driver demand torque, the subordinate controller composed of a particle swarm optimization algorithm optimally allocates the driving torque of the two driving wheels. Hardware-in-the-loop test results show that the maximum mean tracking errors of yaw rate and sideslip angle are 0.002 rad/s and 0.01 rad for the LDLC controlled ET during straight line and continuous steering under normal plowing operation, the maximum mean tracking errors of yaw rate and sideslip angle are 0.007 rad/s and 0.012 rad for straight line and continuous steering plowing operations under harsh plowing operation. The tracking accuracy is significantly higher than traditional cascade PID and equal distribution control methods. The proposed LDLC method effectively ensures the yaw stability of the ET during straight line and continuous steering under normal and harsh plowing operation conditions.

Design of high-performance entangling logic in silicon quantum dot systems with Bayesian optimization

Device engineering based on computer-aided simulations is essential to make silicon (Si) quantum bits (qubits) be competitive to commercial platforms based on superconductors and trapped ions. Combining device simulations with the Bayesian optimization (BO), here we propose a systematic design approach that is quite useful to procure fast and precise entangling operations of qubits encoded to electron spins in electrode-driven Si quantum dot (QD) systems. For a target problem of the controlled-X (CNOT) logic operation, we employ BO with the Gaussian process regression to evolve design factors of a Si double QD system to the ones that are optimal in terms of speed and fidelity of a CNOT logic driven by a single microwave pulse. The design framework not only clearly contributes to cost-efficient securing of solutions that enhance performance of the target quantum operation, but can be extended to implement more complicated logics with Si QD structures in experimentally unprecedented ways.

Surrogate modeling with non-stationary-noise based Gaussian process regression and K-Fold ANN for systems featuring uneven sensitivity distribution

In the realm of aircraft design, there is a prevalent need for surrogate modeling techniques capable of efficiently and accurately modeling objects with high evaluation costs and uneven sensitivity distributions, such as those encountered in the nonlinear buckling of thin-walled structures and aerodynamics at transonic speeds. However, the non-stationary Gaussian Process Regression (GPR) model requires extensive hyperparameters or judicious assumptions, limiting its applications in such tasks, and the commonly used K-Fold methodology suffers from inherent instability. Addressing these issues, this paper proposes an active learning method for surrogate modeling in systems featuring uneven sensitivity distribution, integrating non-stationary-noise GPR and K-Fold Artificial Neural Network (ANN) methodology, namely NSN-GPR-KF. Instead of relying on a non-stationary kernel function, the algorithm regards noise as a non-stationary factor within a stationary GPR framework, with noise levels estimated via the K-Fold ANN methodology, allowing GPR to efficiently adapt to non-stationary systems while avoiding the aforementioned requirements for non-stationary GPR. Case validations, performed on two test functions with pronounced uneven spatial sensitivity, demonstrate that NSN-GPR-KF outperforms commonly used stationary GPR and pure K-Fold methodology. It synthesizes the exploration capabilities of GPR with the exploitation proficiency of the K-Fold methodology, achieving comparable global accuracy with reduced sample sizes—up to 26% and 22% less than the other two algorithms, respectively. The algorithm was successfully applied to predict the buckling load of thin-walled pipe beams, demonstrating accelerated convergence and approximately 25% greater accuracy compared to pure K-Fold model. These results suggest that NSN-GPR-KF can serve as an efficient and precise modeling tool for engineering tasks with high evaluation costs and complex sensitivity distributions.

Adaptive switching and routing protocol design and optimization in internet of things based on probabilistic models

Through smart cities, Intelligent Transportation Systems (ITS), the agricultural sector, and wearable devices, the Internet of Things (IoT) has revolutionized several human interests. Through the development of new cluster tasks, the Decision-Making System (DMS) of Cluster Heads (CHs), and improving the accuracy of traffic prediction and reliability of transportation, the present study intends to improve the energy depletion of IoT devices. The paper explores the subject of data flow optimization using Fuzzy Assisted Cuckoo Search Optimization (FACSO), traffic flow using Gaussian Process Regression (GPR), and CH prediction using the Stochastic Optimization Algorithm (SOA). Optimizing network lifetime while minimizing Energy Consumption (EC) is feasible through the practical application of the SOA, GPR, and FACSO models. Increasing End-to-End Delay (EED), Network Throughput (NT), and energy efficiency can be rendered feasible through a real-time DMS regarding routing employing a novel approach referred to as FACSO. This approach has enhanced the efficacy and reliability of Wireless Sensor Networks (WSN). With up to 500 nodes and an EC of 0.3451 J, the experiment's findings demonstrate that a proposed SOA-FACSO model achieves superior EED.