scholarly journals Artificial Neural Networks in Drug Design 11: Influence of Learning Rate and Momentum Factor on the Predictive Ability

2000 ◽  
Vol 68 (1) ◽  
pp. 57-64 ◽  
Author(s):  
D. Kaiser ◽  
C. Tmej ◽  
P. Chiba ◽  
K.-J. Schaper ◽  
G. Ecker

A data set of 48 propafenone-type modulators of multidrug resistance was used to investigate the influence of learning rate and momentum factor on the predictive power of artificial neural networks of different architecture. Generally, small learning rates and medium sized momentum factors are preferred. Some of the networks showed higher cross validated Q2 values than the corresponding linear model (0.87 vs. 0.83). Screening of a 158 compound virtual library identified several new lead compounds with activities in the nanomolar range.

2020 ◽  
Author(s):  
Andreas Wunsch ◽  
Tanja Liesch ◽  
Stefan Broda

Abstract. It is now well established to use shallow artificial neural networks (ANN) to obtain accurate and reliable groundwater level forecasts, which are an important tool for sustainable groundwater management. However, we observe an increasing shift from conventional shallow ANNs to state-of-the-art deep learning (DL) techniques, but a direct comparison of the performance is often lacking. Although they have already clearly proven their suitability, especially shallow recurrent networks frequently seem to be excluded from the study design despite the euphoria about new DL techniques and its successes in various disciplines. Therefore, we aim to provide an overview on the predictive ability in terms of groundwater levels of shallow conventional recurrent ANN namely nonlinear autoregressive networks with exogenous inputs (NARX), and popular state-of-the-art DL-techniques such as long short-term memory (LSTM) and convolutional neural networks (CNN). We compare both the performance on sequence-to-value (seq2val) and sequence-to-sequence (seq2seq) forecasting on a 4-year period, while using only few, widely available and easy to measure meteorological input parameters, which makes our approach widely applicable. We observe that for seq2val forecasts NARX models on average perform best, however, CNNs are much faster and only slightly worse in terms of accuracy. For seq2seq forecasts, mostly NARX outperform both DL-models and even almost reach the speed of CNNs. However, NARX are the least robust against initialization effects, which nevertheless can be handled easily using ensemble forecasting. We showed that shallow neural networks, such as NARX, should not be neglected in comparison to DL-techniques; however, LSTMs and CNNs might perform substantially better with a larger data set, where DL really can demonstrate its strengths, which is rarely available in the groundwater domain though.


2000 ◽  
Vol 80 (3) ◽  
pp. 415-426 ◽  
Author(s):  
X. Z. Yang ◽  
R. Lacroix ◽  
K. M. Wade

A data set comprising milk-recording and conformation data was used to investigate the usefulness of artificial neural networks in detecting influential variables in the prediction of incidences of clinical mastitis. Specifically, these data contained test-day records from dairy herd analysis, phenotypic cow scores for conformation and genetic conformation proofs for cows and their sires. The data were analysed using the milk-recording data only, the conformation data only, and a combination of the two. Results from sensitivity analyses, performed with trained neural nets, indicated that stage of lactation, milk yield on test day, cumulative milk yield and somatic cell count were the major production factors influencing the ability to detect the occurrence of clinical mastitis. Among the conformation traits, such variables as phenotypic scores for rear-teat placement, dairy character and size, cow proof for dairy character, sire reliability for final score and sire proofs for pin-setting (desirability) and loin strength were found to have some influence on the network's predictive ability, although they were all very minor in relation to the production variables mentioned. As a group, cow genetic proofs seemed more important than either sire genetic proofs or cow phenotypic scores. Given the neural network's general abilities to determine the major factors related to the presence or absence of mastitis on a given test day, it may be appropriate to investigate the possibility of using this technology for actual prediction purposes. Key words: Artificial neural networks, clinical mastitis, milk-recording data, conformation traits, sensitivity analysis, milk production


2021 ◽  
Vol 9 (8) ◽  
pp. 786
Author(s):  
Damjan Bujak ◽  
Tonko Bogovac ◽  
Dalibor Carević ◽  
Suzana Ilic ◽  
Goran Lončar

The volume of material required for the construction of new and expansion of existing beach sites is an important parameter for coastal management. This information may play a crucial role when deciding which beach sites to develop. This work examines whether artificial neural networks (ANNs) can predict the spatial variability of nourishment requirements on the Croatian coast. We use survey data of the nourishment volume requirements and gravel diameter from 2016 to 2020, fetch length, beach area and orientation derived from national maps which vary from location to location due to a complex coastal configuration on the East Adriatic coast, and wind, tide, and rainfall data from nearby meteorological/oceanographic stations to train and test ANNs. The results reported here confirm that an ANN can adequately predict the spatial variability of observed nourishment volumes (R and MSE for the test set equal 0.87 and 2.24 × 104, respectively). The contributions of different parameters to the ANN’s predictive ability were examined. Apart from the most obvious parameters like the beach length and the beach areas, the fetch length proved to be the most important input contribution to ANN’s predictive ability, followed by the beach orientation. Fetch length and beach orientation are parameters governing the wind wave height and direction and hence are proxies for forcing.


2021 ◽  
Vol 11 (15) ◽  
pp. 6723
Author(s):  
Ariana Raluca Hategan ◽  
Romulus Puscas ◽  
Gabriela Cristea ◽  
Adriana Dehelean ◽  
Francois Guyon ◽  
...  

The present work aims to test the potential of the application of Artificial Neural Networks (ANNs) for food authentication. For this purpose, honey was chosen as the working matrix. The samples were originated from two countries: Romania (50) and France (53), having as floral origins: acacia, linden, honeydew, colza, galium verum, coriander, sunflower, thyme, raspberry, lavender and chestnut. The ANNs were built on the isotope and elemental content of the investigated honey samples. This approach conducted to the development of a prediction model for geographical recognition with an accuracy of 96%. Alongside this work, distinct models were developed and tested, with the aim of identifying the most suitable configurations for this application. In this regard, improvements have been continuously performed; the most important of them consisted in overcoming the unwanted phenomenon of over-fitting, observed for the training data set. This was achieved by identifying appropriate values for the number of iterations over the training data and for the size and number of the hidden layers and by introducing of a dropout layer in the configuration of the neural structure. As a conclusion, ANNs can be successfully applied in food authenticity control, but with a degree of caution with respect to the “over optimization” of the correct classification percentage for the training sample set, which can lead to an over-fitted model.


Author(s):  
Sajid Umair ◽  
Muhammad Majid Sharif

Prediction of student performance on the basis of habits has been a very important research topic in academics. Studies show that selection of the correct data set also plays a vital role in these predictions. In this chapter, the authors took data from different schools that contains student habits and their comments, analyzed it using latent semantic analysis to get semantics, and then used support vector machine to classify the data into two classes, important for prediction and not important. Finally, they used artificial neural networks to predict the grades of students. Regression was also used to predict data coming from support vector machine, while giving only the important data for prediction.


Author(s):  
Yunong Zhang ◽  
Ning Tan

Artificial neural networks (ANN), especially with error back-propagation (BP) training algorithms, have been widely investigated and applied in various science and engineering fields. However, the BP algorithms are essentially gradient-based iterative methods, which adjust the neural-network weights to bring the network input/output behavior into a desired mapping by taking a gradient-based descent direction. This kind of iterative neural-network (NN) methods has shown some inherent weaknesses, such as, 1) the possibility of being trapped into local minima, 2) the difficulty in choosing appropriate learning rates, and 3) the inability to design the optimal or smallest NN-structure. To resolve such weaknesses of BP neural networks, we have asked ourselves a special question: Could neural-network weights be determined directly without iterative BP-training? The answer appears to be YES, which is demonstrated in this chapter with three positive but different examples. In other words, a new type of artificial neural networks with linearly-independent or orthogonal activation functions, is being presented, analyzed, simulated and verified by us, of which the neural-network weights and structure could be decided directly and more deterministically as well (in comparison with usual conventional BP neural networks).


Author(s):  
Mustafa Soylak ◽  
Tuğrul Oktay ◽  
İlke Turkmen

In our article, inverse kinematic problem of a plasma cutting robot with three degree of freedom is solved using artificial neural networks. Artificial neural network was trained using joint angle values according to cartesian coordinates ( x, y, z) of end point of a robotic arm. The Levenberg–Marquardt training algorithm was applied to educate artificial neural network. To validate the designed neural network, it was tested using a new test data set which is not applied in training. A simulation was performed on a three-dimensional model of MSC.ADAMS software using angle values obtained from artificial neural network test. It was revealed from this simulation that trajectory of plasma cutting torch obtained using artificial neural network agreed well with desired trajectory.


Sensors ◽  
2020 ◽  
Vol 20 (3) ◽  
pp. 652 ◽  
Author(s):  
Sławomir Francik ◽  
Sławomir Kurpaska

It is important to correctly predict the microclimate of a greenhouse for control and crop management purposes. Accurately forecasting temperatures in greenhouses has been a focus of research because internal temperature is one of the most important factors influencing crop growth. Artificial Neural Networks (ANNs) are a powerful tool for making forecasts. The purpose of our research was elaboration of a model that would allow to forecast changes in temperatures inside the heated foil tunnel using ANNs. Experimental research has been carried out in a heated foil tunnel situated on the property of the Agricultural University of Krakow. Obtained results have served as data for ANNs. Conducted research confirmed the usefulness of ANNs as tools for making internal temperature forecasts. From all tested networks, the best is the three-layer Perceptron type network with 10 neurons in the hidden layer. This network has 40 inputs and one output (the forecasted internal temperature). As the networks input previous historical internal temperature, external temperature, sun radiation intensity, wind speed and the hour of making a forecast were used. These ANNs had the lowest Root Mean Square Error (RMSE) value for the testing data set (RMSE value = 3.7 °C).


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