QSAR modelling of integrin antagonists using enhanced Bayesian regularised genetic neural networks

Castellated steel beams (CSB) are an attractive option for the steel construction industry thanks to outstanding advantages, such as the ability to exceed large span, lightweight, and allowing flexible arrangement of the technical pipes through beams. In addition, the complex localized and global failures characterizing these structural members have led researchers to focus on the development of efficient design guidelines. This paper aims to propose an artificial neural network (ANN) model with optimal architecture to predict the load‐carrying capacity of CSB with a scheme of the simple beam bearing load located at the center of the beam. The ANN model is built with 9 input variables, which are essential parameters equivalent to the geometrical properties and mechanical properties of the material, such as the overall depth of the castellated beam, the vertical projection of the inclined side of the opening, the web thickness, the flange width, the flange thickness, the width of web post at middepth, the horizontal projection of inclined side of the opening, the minimum web yield stress, and the minimum flange yield stress. The output variable is the load‐carrying capacity of the CSB. With the optimal ANN architecture [9‐1‐1] containing one hidden layer, the performance of the ANN model is evaluated based on statistical criteria such as R2, RMSE, and MAE. The results show that the optimal ANN model is a highly effective predictor of the load‐carrying capacity of the CSB with the best value of R2 = 0.989, RMSE = 3.328, and MAE = 2.620 for the testing part. The ANN model seems to be the best algorithm of machine learning for predicting the CSB load‐carrying capacity.

The present study was carried out using artificial neural network (ANN) model for predicting the sodium hazardness, i.e., sodium adsorption ratio (SAR), percent sodium (%Na) residual, Kelly’s ratio (KR), and residual sodium carbonate (RSC) in the groundwater of the Pratapgarh district of Southern Rajasthan, India. This study focuses on verifying the suitability of water for irrigational purpose, wherein more groundwater decline coupled with water quality problems compared to the other areas are observed. The southern part of the Rajasthan State is more populated as compared to the rest of the parts. The southern part of the Rajasthan is more populated as compared to the rest of the Rajasthan, which leads to the industrialization, urbanization, and evolutionary changes in the agricultural production in the southern region. Therefore, it is necessary to propose innovative methods for analyzing and predicting the water quality (WQ) for agricultural use. The study aims to develop an optimized artificial neural network (ANN) model to predict the sodium hazardness of groundwater for irrigation purposes. The ANN model was developed using ‘nntool’ in MATLAB software. The ANN model was trained and validated for ten years (2010–2020) of water quality data. An L-M 3-layer back propagation technique was adopted in ANN architecture to develop a reliable and accurate model for predicting the suitability of groundwater for irrigation. Furthermore, statistical performance indicators, such as RMSE, IA, R, and MBE, were used to check the consistency of ANN prediction results. The developed ANN model, i.e., ANN4 (3-12-1), ANN4 (4-15-1), ANN1 (4-5-1), and ANN4 (3-12-1), were found best suited for SAR, %Na, RSC, and KR water quality indicators for the Pratapgarh district. The performance analysis of the developed model (3-12-1) led to a correlation coefficient = 1, IA = 1, RMS = 0.14, and MBE = 0.0050. Hence, the proposed model provides a satisfactory match to the empirically generated datasets in the observed wells. This development of water quality modeling using an ANN model may help to useful for the planning of sustainable management and groundwater resources with crop suitability plans as per water quality.

The aim of this study is to develop an artificial neural network (ANN) model for spark assisted diamond face grinding (SADFG) of cobalt bonded tungsten carbide (WC-Co) composite to predict the material removal rate (MRR) and average surface roughness (Ra). The experiments were conducted on a self-developed face grinding setup, which is attached with EDM machine. A bronze metal bonded diamond wheel is used for experimentations. All the experiments were performed according to the central rotatable design. The current, pulse on-time, duty factor and wheel speed were taken as input process parameters and responses are measured in terms of MRR and Ra. Central rotatable design is used for experimentation. The obtained experimental data set was used to train the ANN model. The ANN architecture with back propagation algorithm has been used for modelling of process parameters of SADFG process. It has been found that the developed ANN model is capable to predict the MRR and Ra with absolute average percentage error of 10.40% and 6.81%, respectively. It has been also found that wheel speed at 1,300 RPM is suitable for achieving of the better surface finish while duty factor at 0.70 has been found more appropriate for higher MRR.

The generalization ability of artificial neural networks (ANNs) and M5 model tree (M5Tree) in modeling reference evapotranspiration (ET 0 ) is investigated in this study. Daily climatic data, average temperature, solar radiation, wind speed, and relative humidity from six different stations operated by California Irrigation Management Information System (CIMIS) located in two different regions of the USA were used in the applications. King-City Oasis Rd., Arroyo Seco, and Salinas North stations are located in San Joaquin region, and San Luis Obispo, Santa Monica, and Santa Barbara stations are located in the Southern region. In the first part of the study, the ANN and M5Tree models were used for estimating ET 0 of six stations and results were compared with the empirical methods. The ANN and M5Tree models were found to be better than the empirical models. In the second part of the study, the ANN and M5Tree models obtained from one station were tested using the data from the other two stations for each region. ANN models performed better than the CIMIS Penman, Hargreaves, Ritchie, and Turc models in two stations while the M5Tree models generally showed better accuracy than the corresponding empirical models in all stations. In the third part of the study, the ANN and M5Tree models were calibrated using three stations located in San Joaquin region and tested using the data from the other three stations located in the Southern region. Four-input ANN and M5Tree models performed better than the CIMIS Penman in only one station while the two-input ANN models were found to be better than the Hargreaves, Ritchie, and Turc models in two stations.

Estimation of static formation temperatures in geothermal wells by using an artificial neural network approach

Application of an optimized SA-ANN hybrid model for parametric modeling and optimization of LASOX cutting of mild steel

BackgroundThis study aimed to develop an artificial neural network (ANN) model for predicting synchronous organ-specific metastasis in lung cancer (LC) patients.MethodsA total of 62,151 patients who diagnosed as LC without data missing between 2010 and 2015 were identified from Surveillance, Epidemiology, and End Results (SEER) program. The ANN model was trained and tested on an 75/25 split of the dataset. The receiver operating characteristic (ROC) curves, area under the curve (AUC) and sensitivity were used to evaluate and compare the ANN model with the random forest model.ResultsFor distant metastasis in the whole cohort, the ANN model had metrics AUC = 0.759, accuracy = 0.669, sensitivity = 0.906, and specificity = 0.613, which was better than the random forest model. For organ-specific metastasis in the cohort with distant metastasis, the sensitivity in bone metastasis, brain metastasis and liver metastasis were 0.913, 0.906 and 0.925, respectively. The most important variable was separate tumor nodules with 100% importance. The second important variable was visceral pleural invasion for distant metastasis, while histology for organ-specific metastasis.ConclusionsOur study developed a “two-step” ANN model for predicting synchronous organ-specific metastasis in LC patients. This ANN model may provide clinicians with more personalized clinical decisions, contribute to rationalize metastasis screening, and reduce the burden on patients and the health care system.

ABSTRACTStatistical methods such as Poisson distribution, negative binomial regression (NB), and zero inflated negative binomial regression (ZINB) have generally been used in road safety studies to establish the complex relationships between variables. Over the last few years, the artificial neural networks (ANN) model has also been used. The ANN model does not have any prior limitations such as the equality condition of mean and variance observed in Poisson regression. However, though the ANN model has been used in the analysis of different accident types, to the best of our knowledge, no study has used the ANN model for establishing this relationship with truck accident data on divided multilane interurban roads. In this study, the road sections D750/07–D750/15 in Ankara–Aksaray–Eregli, Turkey, were considered and truck accident data from 2008 to 2011 were analyzed using NB and ANN. The analysis show that the ANN model has lower errors and higher R2 values than NB and performs slightly better than NB for predicting the number of trucks involved in accidents. Based on a comparison of performances the study concludes, that ANN could be used as an alternative model for analyzing truck accident data on divided multilane interurban roads in Turkey.

Purpose – This paper aims to predict the needle penetration force (NPF) in denim fabrics using the artificial neural network (ANN) and multiple linear regression (MLR) models based on the effects of various sewing parameters. Design/methodology/approach – In order to design the ANN and MLR models, four parameters including fabric weight, number of fabric layers, weave pattern, and sewing needle size are taken into account as the input parameters and NPF as the output parameter. According to these parameters, 140 samples of data were resulted. Each sample was tested five times. From these 140 data (input-output data pairs), 112 were used for training the ANN and MLR models and 28 samples were used to test the performance of ANN and MLR. Also, the NPF was measured on the Instron tensile tester to simulate sewing process. Findings – The results indicated that the NPF in denim fabrics can be well predicted in terms of sewing parameters by using ANN and MLR models, in which the ANN model exhibits greater performance than MLR (RANN=0.989> RMLR=0.901). Research limitations/implications – The NPF measurement method is limited at low speed. Originality/value – Using the ANN model for forecasting NPF in denim fabrics can help the garment manufactures to produce high-quality denim products and improve the sewing process through reducing seam damage. The NPF could be also measured in the cycle loading conditions similar to sewing machine process by using a special designed tools mounted on the Instron tensile tester.

Monthly river flow forecasting using artificial neural network and support vector regression models coupled with wavelet transform

The power capacity of solar photovoltaics (PVs) in Korea has grown dramatically in recent years, and an accurate estimation of solar resources is crucial for the efficient management of these solar PV systems. Since the number of solar irradiance measurement sites is insufficient for Korea, satellite images can be useful sources for estimating solar irradiance over a wide area of Korea. In this study, an artificial neural network (ANN) model was constructed to calculate hourly global horizontal solar irradiance (GHI) from Korea Communication, Ocean and Meteorological Satellite (COMS) Meteorological Imager (MI) images. Solar position variables and five COMS MI channels were used as inputs for the ANN model. The basic ANN model was determined to have a window size of five for the input satellite images and two hidden layers, with 30 nodes on each hidden layer. After these ANN parameters were determined, the temporal and spatial applicability of the ANN model for solar irradiance mapping was validated. The final ANN ensemble model, which calculated the hourly GHI from 10 independent ANN models, exhibited a correlation coefficient (R) of 0.975 and root mean square error (RMSE) of 54.44 W/m² (12.93%), which were better results than for other remote-sensing based works for Korea. Finally, GHI maps for Korea were generated using the final ANN ensemble model. This COMS-based ANN model can contribute to the efficient estimation of solar resources and the improvement of the operational efficiency of solar PV systems for Korea.

A single artificial neural network (ANN) model is inadequate for predicting phytoplankton biomass in a large lake due to its high spatial heterogeneity. In this study, ANN was combined with a clustering technique to simulate phytoplankton biomass in a large lake (Lake Poyang) using a 7-year dataset. Two ANN models (named ANN_Downstream and ANN_Upstream) were developed for the downstream and upstream areas based on the k-means clustering results of 17 sampling sites at Lake Poyang, China. They performed better than ANN_Poyang (an ANN model for the whole lake), indicating the success of the clustering technique in improving ANN models for predicting phytoplankton biomass in different sub-regions of the large lake. A sensitivity analysis based on ANN_Downstream and ANN_Upstream showed that phytoplankton dynamics responded differently to environmental variables in different sub-regions of Lake Poyang. This case study demonstrated the good performance of ANN models in describing phytoplankton dynamics, and the potential of coupling ANN with a clustering technique to describe the spatial heterogeneity of natural ecosystems.

Hybrid membrane-distillation systems are reported to be an energy-efficient separation processes compared to conventional distillation process; especially for separating close-boiling mixtures. However, several optimization methods are available and can be applied to find a cost-effective design and operation of hybrid membrane-distillation systems. This work evaluates the hybrid system design in terms of energy and compares the performance (i.e. the accuracy and computational efficiency) of stochastic optimisation method (Simulated Annealing) and deterministic method (Pattern search method) for optimisation of process operating conditions. The parallel hybrid membrane-distillation system for the separation of ethylene-ethane mixture is selected for analysis. The decision variables manipulated for the optimisation are the stage cut and permeate pressure. Results show that pattern search is faster than Simulated Annealing but that is more able to find the close-global results. The difference between the optimal result found by Simulated Annealing and pattern search is about 0.02 % for the total operating costs, 0.3 % for the stage cut and 5 % for the permeate pressure. These findings suggest that it is possible to use deterministic method for optimisation complex system. However, to locate an optimal solution and increase confidence in the result, a variety of initial points should be tested.

According to the thought of intelligent forecasting and hybrid forecasting, an Intelligent Hybrid (IH) model for short-term traffic flow forecasting was presented. The IH model had three sub-models: History Mean (HM) model, Artificial Neural Network (ANN) model and the Fuzzy Combination (FC) model. By means of the good static stabilization character of HM method, the HM model predicted the traffic flow by the Single Exponential Smoothing method based on the historical traffic data. Otherwise, the ANN model was a 1.5-layer feed-forward neural network built by some common S-function neurons. Because of the strong dynamic nonlinear mapping ability of ANN, the ANN model can estimate the actual traffic flow in a very precise and satisfactory sense. The FC model mixed the two individual forecasting results by fuzzy logic and its output was regarded as the final forecasting of the traffic flow. Factual application results show that the IH model, which takes advantage of the unique strength of the HM model and the ANN model, can produce more precise forecasting than that of two individual models. Thus, the IH model can be an efficient method to the short-term traffic flow forecasting.

Nitric acid production plants emit small amounts of nitrogen oxides (NOx) to the environment. As the regulatory authorities demand the reduction of the resulting air pollution, existing plants are looking for economical ways to comply with this demand. Several Artificial Neural Networks (ANN) models were trained from several months of operating plant data to predict the NOx concentration in the tail gas, and their total amount emitted the environment. The training of the ANN model was done by the Guterman-Boger algorithm set that generates a non-random initial connection weights, suggests a small number of hidden neurons, avoids, and escapes from, local minima encountered during the training. The ANN models gave small errors, 0.6% relative error on the NOx concentration prediction and 0.006 kg/hour on daily emission in the 20-45 kg NOx/hour range. Knowledge extraction from the trained ANN models revealed the underlying relationships between the plant operating variables and the NOx emission rate, especially the beneficial effect of cooling the absorbed gas and reticulating liquids in the absorption towers. Clustering the data by the patterns of the hidden neurons outputs of auto-associative ANN models of the same data revealed interesting insights.