scholarly journals On the cover of this Issue: Machine Learning Neural-Network Predictions for Grain-Boundary Strain Accumulation in a Polycrystalline Metal by R.B. Vieira and J. Lambros

2021 ◽  
Keyword(s):  
Neural Network ◽  
Machine Learning ◽  
Grain Boundary ◽  
Strain Accumulation ◽  
Polycrystalline Metal

Accurate prediction of grain boundary structures and energetics in CdTe: A machine-learning potential approach

2021 ◽  
Author(s):  
Tatsuya Yokoi ◽  
Kosuke Adachi ◽  
Sayuri Iwase ◽  
Katsuyuki Matsunaga
Keyword(s):  
Neural Network ◽  
Machine Learning ◽  
Artificial Neural Network ◽  
Grain Boundary ◽  
Interatomic Potential ◽  
Learning Potential ◽  
Potential Approach ◽  
Atomic Structures ◽  
Wide Range ◽  
Artificial Neural Network Ann

To accurately predict grain boundary (GB) atomic structures and their energetics in CdTe, the present study constructs an artificial-neural-network (ANN) interatomic potential. To cover a wide range of atomic environments,...

Adsorption Isotherm Predictions for Multiple Molecules in MOFs Using the Same Deep Learning Model

2019 ◽  
Author(s):  
Ryther Anderson ◽  
Achay Biong ◽  
Diego Gómez-Gualdrón
Keyword(s):  
Neural Network ◽  
Machine Learning ◽  
Molecular Simulation ◽  
Large Scale ◽  
Learning Model ◽  
Operating Conditions ◽  
Small Subset ◽  
Screening Methods ◽  
Large Set ◽  
Metal Organic

<div>Tailoring the structure and chemistry of metal-organic frameworks (MOFs) enables the manipulation of their adsorption properties to suit specific energy and environmental applications. As there are millions of possible MOFs (with tens of thousands already synthesized), molecular simulation, such as grand canonical Monte Carlo (GCMC), has frequently been used to rapidly evaluate the adsorption performance of a large set of MOFs. This allows subsequent experiments to focus only on a small subset of the most promising MOFs. In many instances, however, even molecular simulation becomes prohibitively time consuming, underscoring the need for alternative screening methods, such as machine learning, to precede molecular simulation efforts. In this study, as a proof of concept, we trained a neural network as the first example of a machine learning model capable of predicting full adsorption isotherms of different molecules not included in the training of the model. To achieve this, we trained our neural network only on alchemical species, represented only by their geometry and force field parameters, and used this neural network to predict the loadings of real adsorbates. We focused on predicting room temperature adsorption of small (one- and two-atom) molecules relevant to chemical separations. Namely, argon, krypton, xenon, methane, ethane, and nitrogen. However, we also observed surprisingly promising predictions for more complex molecules, whose properties are outside the range spanned by the alchemical adsorbates. Prediction accuracies suitable for large-scale screening were achieved using simple MOF (e.g. geometric properties and chemical moieties), and adsorbate (e.g. forcefield parameters and geometry) descriptors. Our results illustrate a new philosophy of training that opens the path towards development of machine learning models that can predict the adsorption loading of any new adsorbate at any new operating conditions in any new MOF.</div>

Artificial neural network models for coronary artery disease

2020 ◽  
Vol 15 ◽  
Author(s):  
Elham Shamsara ◽  
Sara Saffar Soflaei ◽  
Mohammad Tajfard ◽  
Ivan Yamshchikov ◽  
Habibollah Esmaili ◽  
...  
Keyword(s):  
Neural Network ◽  
Machine Learning ◽  
Coronary Artery Disease ◽  
Pattern Recognition ◽  
Artificial Neural Network ◽  
Coronary Artery ◽  
Diagnostic Model ◽  
Early Prediction ◽  
Artificial Neural ◽  
Artery Disease

Background: Coronary artery disease (CAD) is an important cause of mortality and morbidity globally. Objective : The early prediction of the CAD would be valuable in identifying individuals at risk, and in focusing resources on its prevention. In this paper, we aimed to establish a diagnostic model to predict CAD by using three approaches of ANN (pattern recognition-ANN, LVQ-ANN, and competitive ANN). Methods: One promising method for early prediction of disease based on risk factors is machine learning. Among different machine learning algorithms, the artificial neural network (ANN) algo-rithms have been applied widely in medicine and a variety of real-world classifications. ANN is a non-linear computational model, that is inspired by the human brain to analyze and process complex datasets. Results: Different methods of ANN that are investigated in this paper indicates in both pattern recognition ANN and LVQ-ANN methods, the predictions of Angiography+ class have high accuracy. Moreover, in CNN the correlations between the individuals in cluster ”c” with the class of Angiography+ is strongly high. This accuracy indicates the significant difference among some of the input features in Angiography+ class and the other two output classes. A comparison among the chosen weights in these three methods in separating control class and Angiography+ shows that hs-CRP, FSG, and WBC are the most substantial excitatory weights in recognizing the Angiography+ individuals although, HDL-C and MCH are determined as inhibitory weights. Furthermore, the effect of decomposition of a multi-class problem to a set of binary classes and random sampling on the accuracy of the diagnostic model is investigated. Conclusion : This study confirms that pattern recognition-ANN had the most accuracy of performance among different methods of ANN. That’s due to the back-propagation procedure of the process in which the network classify input variables based on labeled classes. The results of binarization show that decomposition of the multi-class set to binary sets could achieve higher accuracy.

Using artificial neural network condensation to facilitate adaption of machine learning in medical settings by reducing computational burden (Preprint)

2020 ◽  
Author(s):  
Dianbo Liu
Keyword(s):  
Neural Network ◽  
Machine Learning ◽  
Third World ◽  
Mortality Prediction ◽  
Neural Net ◽  
Medical Settings ◽  
Hidden Layer ◽  
Applications Of Machine Learning ◽  
Computational Resources ◽  
Developed Nations

BACKGROUND Applications of machine learning (ML) on health care can have a great impact on people’s lives. At the same time, medical data is usually big, requiring a significant amount of computational resources. Although it might not be a problem for wide-adoption of ML tools in developed nations, availability of computational resource can very well be limited in third-world nations and on mobile devices. This can prevent many people from benefiting of the advancement in ML applications for healthcare. OBJECTIVE In this paper we explored three methods to increase computational efficiency of either recurrent neural net-work(RNN) or feedforward (deep) neural network (DNN) while not compromising its accuracy. We used in-patient mortality prediction as our case analysis upon intensive care dataset. METHODS We reduced the size of RNN and DNN by applying pruning of “unused” neurons. Additionally, we modified the RNN structure by adding a hidden-layer to the RNN cell but reduce the total number of recurrent layers to accomplish a reduction of total parameters in the network. Finally, we implemented quantization on DNN—forcing the weights to be 8-bits instead of 32-bits. RESULTS We found that all methods increased implementation efficiency–including training speed, memory size and inference speed–without reducing the accuracy of mortality prediction. CONCLUSIONS This improvements allow the implementation of sophisticated NN algorithms on devices with lower computational resources.

scholarly journals Discretization and machine learning approximation of BSDEs with a constraint on the Gains-process

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Idris Kharroubi ◽  
Thomas Lim ◽  
Xavier Warin
Keyword(s):  
Neural Network ◽  
Machine Learning ◽  
Neural Networks ◽  
Differential Equations ◽  
Numerical Experiments ◽  
Optimization Problem ◽  
Learning Approach ◽  
The Neural Network ◽  
Machine Learning Approach ◽  
Mesh Grid

AbstractWe study the approximation of backward stochastic differential equations (BSDEs for short) with a constraint on the gains process. We first discretize the constraint by applying a so-called facelift operator at times of a grid. We show that this discretely constrained BSDE converges to the continuously constrained one as the mesh grid converges to zero. We then focus on the approximation of the discretely constrained BSDE. For that we adopt a machine learning approach. We show that the facelift can be approximated by an optimization problem over a class of neural networks under constraints on the neural network and its derivative. We then derive an algorithm converging to the discretely constrained BSDE as the number of neurons goes to infinity. We end by numerical experiments.

scholarly journals A review of infant cry analysis and classification

2021 ◽  
Vol 2021 (1) ◽  
Author(s):  
Chunyan Ji ◽  
Thosini Bamunu Mudiyanselage ◽  
Yutong Gao ◽  
Yi Pan
Keyword(s):  
Neural Network ◽  
Machine Learning ◽  
Signal Analysis ◽  
Future Research ◽  
Prosodic Features ◽  
Infant Cry ◽  
Machine Learning Classification ◽  
Machine Learning Classifiers ◽  
Learning Classifiers ◽  
Processing Techniques

AbstractThis paper reviews recent research works in infant cry signal analysis and classification tasks. A broad range of literatures are reviewed mainly from the aspects of data acquisition, cross domain signal processing techniques, and machine learning classification methods. We introduce pre-processing approaches and describe a diversity of features such as MFCC, spectrogram, and fundamental frequency, etc. Both acoustic features and prosodic features extracted from different domains can discriminate frame-based signals from one another and can be used to train machine learning classifiers. Together with traditional machine learning classifiers such as KNN, SVM, and GMM, newly developed neural network architectures such as CNN and RNN are applied in infant cry research. We present some significant experimental results on pathological cry identification, cry reason classification, and cry sound detection with some typical databases. This survey systematically studies the previous research in all relevant areas of infant cry and provides an insight on the current cutting-edge works in infant cry signal analysis and classification. We also propose future research directions in data processing, feature extraction, and neural network classification fields to better understand, interpret, and process infant cry signals.

scholarly journals Detection and Severity Evaluation of Combined Rail Defects Using Deep Learning

Vibration ◽  
2021 ◽  
Vol 4 (2) ◽  
pp. 341-356
Author(s):  
Jessada Sresakoolchai ◽  
Sakdirat Kaewunruen
Keyword(s):  
Neural Network ◽  
Machine Learning ◽  
Deep Learning ◽  
Mean Absolute Error ◽  
Absolute Error ◽  
Machine Learning Techniques ◽  
Rolling Stock ◽  
Raw Data ◽  
Learning Techniques ◽  
Combined Defects

Various techniques have been developed to detect railway defects. One of the popular techniques is machine learning. This unprecedented study applies deep learning, which is a branch of machine learning techniques, to detect and evaluate the severity of rail combined defects. The combined defects in the study are settlement and dipped joint. Features used to detect and evaluate the severity of combined defects are axle box accelerations simulated using a verified rolling stock dynamic behavior simulation called D-Track. A total of 1650 simulations are run to generate numerical data. Deep learning techniques used in the study are deep neural network (DNN), convolutional neural network (CNN), and recurrent neural network (RNN). Simulated data are used in two ways: simplified data and raw data. Simplified data are used to develop the DNN model, while raw data are used to develop the CNN and RNN model. For simplified data, features are extracted from raw data, which are the weight of rolling stock, the speed of rolling stock, and three peak and bottom accelerations from two wheels of rolling stock. In total, there are 14 features used as simplified data for developing the DNN model. For raw data, time-domain accelerations are used directly to develop the CNN and RNN models without processing and data extraction. Hyperparameter tuning is performed to ensure that the performance of each model is optimized. Grid search is used for performing hyperparameter tuning. To detect the combined defects, the study proposes two approaches. The first approach uses one model to detect settlement and dipped joint, and the second approach uses two models to detect settlement and dipped joint separately. The results show that the CNN models of both approaches provide the same accuracy of 99%, so one model is good enough to detect settlement and dipped joint. To evaluate the severity of the combined defects, the study applies classification and regression concepts. Classification is used to evaluate the severity by categorizing defects into light, medium, and severe classes, and regression is used to estimate the size of defects. From the study, the CNN model is suitable for evaluating dipped joint severity with an accuracy of 84% and mean absolute error (MAE) of 1.25 mm, and the RNN model is suitable for evaluating settlement severity with an accuracy of 99% and mean absolute error (MAE) of 1.58 mm.

scholarly journals Machine learning for image-based detection of patients with obstructive sleep apnea: an exploratory study

2021 ◽  
Author(s):  
Satoru Tsuiki ◽  
Takuya Nagaoka ◽  
Tatsuya Fukuda ◽  
Yuki Sakamoto ◽  
Fernanda R. Almeida ◽  
...  
Keyword(s):  
Neural Network ◽  
Machine Learning ◽  
Obstructive Sleep Apnea ◽  
Sleep Apnea ◽  
Convolutional Neural Network ◽  
Deep Convolutional Neural Network ◽  
Apnea Hypopnea Index ◽  
Cephalometric Analysis ◽  
Obstructive Sleep ◽  
Main Region

Abstract Purpose In 2-dimensional lateral cephalometric radiographs, patients with severe obstructive sleep apnea (OSA) exhibit a more crowded oropharynx in comparison with non-OSA. We tested the hypothesis that machine learning, an application of artificial intelligence (AI), could be used to detect patients with severe OSA based on 2-dimensional images. Methods A deep convolutional neural network was developed (n = 1258; 90%) and tested (n = 131; 10%) using data from 1389 (100%) lateral cephalometric radiographs obtained from individuals diagnosed with severe OSA (n = 867; apnea hypopnea index > 30 events/h sleep) or non-OSA (n = 522; apnea hypopnea index < 5 events/h sleep) at a single center for sleep disorders. Three kinds of data sets were prepared by changing the area of interest using a single image: the original image without any modification (full image), an image containing a facial profile, upper airway, and craniofacial soft/hard tissues (main region), and an image containing part of the occipital region (head only). A radiologist also performed a conventional manual cephalometric analysis of the full image for comparison. Results The sensitivity/specificity was 0.87/0.82 for full image, 0.88/0.75 for main region, 0.71/0.63 for head only, and 0.54/0.80 for the manual analysis. The area under the receiver-operating characteristic curve was the highest for main region 0.92, for full image 0.89, for head only 0.70, and for manual cephalometric analysis 0.75. Conclusions A deep convolutional neural network identified individuals with severe OSA with high accuracy. Future research on this concept using AI and images can be further encouraged when discussing triage of OSA.

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