Modeling the Optical Properties of a Polyvinyl Alcohol-Based Composite Using a Particle Swarm Optimized Support Vector Regression Algorithm.

We developed particle swarm optimization-based support vector regression (PSVR) and ordinary linear regression (OLR) models for estimating the refractive index (n) and energy gap (E) of a polyvinyl alcohol composite. The n-PSVR model, which can estimate the refractive index of a polyvinyl alcohol composite using the energy gap as a descriptor, performed better than the n-OLR model in terms of root mean square error (RMSE) and mean absolute error (MAE) metrics. The E-PSVR model, which can predict the energy gap of a polyvinyl alcohol composite using its refractive index descriptor, outperformed the E-OLR model, which uses similar descriptor based on several performance measuring metrics. The n-PSVR and E-PSVR models were used to investigate the influences of sodium-based dysprosium oxide and benzoxazinone derivatives on the energy gaps of a polyvinyl alcohol polymer composite. The results agreed well with the measured values. The models had low mean absolute percentage errors after validation with external data. The precision demonstrated by these predictive models will enhance the tailoring of the optical properties of polyvinyl alcohol composites for the desired applications. Costs and experimental difficulties will be reduced.

Modeling Superconducting Critical Temperature of 122-Iron-Based Pnictide Intermetallic Superconductor Using a Hybrid Intelligent Computational Method.

Structural transformation and magnetic ordering interplays for emergence as well as suppression of superconductivity in 122-iron-based superconducting materials. Electron and hole doping play a vital role in structural transition and magnetism suppression and ultimately enhance the room pressure superconducting critical temperature of the compound. This work models the superconducting critical temperature of 122-iron-based superconductor using tetragonal to orthorhombic lattice (LAT) structural transformation during low-temperature cooling and ionic radii of the dopants as descriptors through hybridization of support vector regression (SVR) intelligent algorithm with particle swarm (PS) parameter optimization method. The developed PS-SVR-RAD model, which utilizes ionic radii (RAD) and the concentrations of dopants as descriptors, shows better performance over the developed PS-SVR-LAT model that employs lattice parameters emanated from structural transformation as descriptors. Using the root mean square error (RMSE), coefficient of correlation (CC) and mean absolute error as performance measuring criteria, the developed PS-SVR-RAD model performs better than the PS-SVR-LAT model with performance improvement of 15.28, 7.62 and 72.12%, on the basis of RMSE, CC and Mean Absolute Error (MAE), respectively. Among the merits of the developed PS-SVR-RAD model over the PS-SVR-LAT model is the possibility of electrons and holes doping from four different dopants, better performance and ease of model development at relatively low cost since the descriptors are easily fetched ionic radii. The developed intelligent models in this work would definitely facilitate quick and precise determination of critical transition temperature of 122-iron-based superconductor for desired applications at low cost with experimental stress circumvention.

Experimental and Modelling of Alkali-Activated Mortar Compressive Strength Using Hybrid Support Vector Regression and Genetic Algorithm.

This paper presents the outcome of work conducted to develop models for the prediction of compressive strength (CS) of alkali-activated limestone powder and natural pozzolan mortar (AALNM) using hybrid genetic algorithm (GA) and support vector regression (SVR) algorithm, for the first time. The developed hybrid GA-SVR-CS1, GA-SVR-CS3, and GA-SVR-CS14 models are capable of estimating the one-day, three-day, and 14-day compressive strength, respectively, of AALNM up to 96.64%, 90.84%, and 93.40% degree of accuracy as measured on the basis of correlation coefficient between the measured and estimated values for a set of data that is excluded from training and testing phase of the model development. The developed hybrid GA-SVR-CS28E model estimates the 28-days compressive strength of AALNM using the 14-days strength, it performs better than hybrid GA-SVR-CS28C model, hybrid GA-SVR-CS28B model, hybrid GA-SVR-CS28A model, and hybrid GA-SVR-CS28D model that respectively estimates the 28-day compressive strength using three-day strength, one day-strength, all the descriptors and seven day-strength with performance improvement of 103.51%, 124.47%, 149.94%, and 262.08% on the basis of root mean square error. The outcome of this work will promote the use of environment-friendly concrete with excellent strength and provide effective as well as efficient ways of modeling the compressive strength of concrete.

Hybrid chemometric approach for estimating the heat of detonation of aromatic energetic compounds.

This work presents an elegant technique for estimating the heat of detonation (HD) of thirty organic energetic compounds by combining support vector regression (SVR) and gravitational search algorithm (GSA). The work shows that numbers of nitrogen and oxygen atoms as well as the compound molar mass are sufficient as descriptors. On the basis of three performance measuring parameters, the hybrid GSA-SVR outperforms Mortimer and Kamlet (1968), Mohammad and Hamid (2004) and Mohammad (2006) models with performance improvement of 93.951%, 86.197%, and 47.104%, respectively. The superior performance demonstrated by the proposed method would be of immense significance in containing the potential damage of the explosives through quick estimation of HD of organic energetic compounds without loss of experimental precision.

Development of hybrid extreme learning machine based chemo-metrics for precise quantitative analysis of LIBS spectra using internal reference pre-processing method.

Laser induced breakdown spectroscopy (LIBS) is a versatile spectroscopic technique that requires little or no sample preparation and capable of simultaneous elemental sample analysis. Quantitative analysis of its spectra has been a major challenge due to self-absorption of the emitted radiation during plasma cooling and inadequate description of non-linear complex interactions taking place in the laser induced plasma. This work presents a novel chemo-metric tool, extreme learning machine (ELM) and its hybrid HHELM (homogenously hybridized ELM), for the first time in modeling the complex interactions of laser induced plasma and quantification of LIBS spectra. Internal reference preprocessing (IRP) method is also proposed as a novel method of enhancing the performance of ELM based chemo-metrics. Since the proposed chemo-metrics (ELM and HHELM) determine their input weights as well as their hidden biases in a random manner, ELM and HHELM are respectively hybridized with gravitational search algorithm (GSA) for optimization of the number of hidden neurons. Effect of IRP, obtained by normalizing the emission spectra intensities with the emission intensity that has highest upper level excitation energy and lowest transition probability, on the performance of the proposed GSA-ELM and GSA-HHELM chemo-metrics is investigated. The proposed models are implemented using spectra of seven bronze standard samples. Chemo-metrics with IRP (GSA-ELM-IRP and GSA-HHELM-IRP) show better generalization performance than those without IRP (GSA-ELM-WIRP and GSA-HHELM-WIRP) while GSA-HHELM based chemo-metrics perform better than their counterparts. The outstanding performance demonstrated by the proposed chemo-metrics and their self-absorption correction ability would definitely widen the applicability of LIBS and improve its precision for the quantitative analysis.