scholarly journals Development of a general-purpose machine-learning interatomic potential for aluminum by the physically informed neural network method

2020 ◽  
Vol 4 (11) ◽  
Author(s):  
G. P. Purja Pun ◽  
V. Yamakov ◽  
J. Hickman ◽  
E. H. Glaessgen ◽  
Y. Mishin
2021 ◽  
Vol 5 (1) ◽  
pp. 21-30
Author(s):  
Rachmat Rasyid ◽  
Abdul Ibrahim

One of the wealth of the Indonesian nation is the many types of ornamental plants. Ornamental plants, for example, the Aglaonema flower, which is much favored by hobbyists of ornamental plants, from homemakers, is a problem to distinguish between types of aglaonema ornamental plants with other ornamental plants. So the authors try to research with the latest technology using a deep learning convolutional neural network method. It is for calcifying aglaonema interest. This research is based on having fascinating leaves and colors. With the study results using the CNN method, the products of aglaonema flowers of Adelia, Legacy, Widuri, RedKochin, Tiara with moderate accuracy value are 56%. In contrast, the aglaonema type Sumatra, RedRuby, has the most accuracy a high of 61%.


2019 ◽  
Author(s):  
Blerta Rahmani ◽  
Hiqmet Kamberaj

AbstractIn this study, we employed a novel method for prediction of (macro)molecular properties using a swarm artificial neural network method as a machine learning approach. In this method, a (macro)molecular structure is represented by a so-called description vector, which then is the input in a so-called bootstrapping swarm artificial neural network (BSANN) for training the neural network. In this study, we aim to develop an efficient approach for performing the training of an artificial neural network using either experimental or quantum mechanics data. In particular, we aim to create different user-friendly online accessible databases of well-selected experimental (or quantum mechanics) results that can be used as proof of the concepts. Furthermore, with the optimized artificial neural network using the training data served as input for BSANN, we can predict properties and their statistical errors of new molecules using the plugins provided from that web-service. There are four databases accessible using the web-based service. That includes a database of 642 small organic molecules with known experimental hydration free energies, the database of 1475 experimental pKa values of ionizable groups in 192 proteins, the database of 2693 mutants in 14 proteins with given values of experimental values of changes in the Gibbs free energy, and a database of 7101 quantum mechanics heat of formation calculations.All the data are prepared and optimized in advance using the AMBER force field in CHARMM macromolecular computer simulation program. The BSANN is code for performing the optimization and prediction written in Python computer programming language. The descriptor vectors of the small molecules are based on the Coulomb matrix and sum over bonds properties, and for the macromolecular systems, they take into account the chemical-physical fingerprints of the region in the vicinity of each amino acid.Graphical TOC Entry


2021 ◽  
Vol 1 (1) ◽  
pp. 31
Author(s):  
Kristiawan Nugroho

The Covid-19 pandemic has occurred for a year on earth. Various attempts have been made to overcome this pandemic, especially in making various types of vaccines developed around the world. The level of vaccine effectiveness in dealing with Covid-19 is one of the questions that is often asked by the public. This research is an attempt to classify the names of vaccines that have been used in various nations by using one of the robust machine learning methods, namely the Neural Network. The results showed that the Neural Network method provides the best accuracy, which is 99.9% higher than the Random Forest and Support Vector Machine(SVM) methods.


2021 ◽  
Vol 12 (2) ◽  
pp. 123
Author(s):  
A A JE Veggy Priyangka ◽  
I Made Surya Kumara

Indonesia is one of the countries with the population majority of farming. The agricultural sector in Indonesia is supported by fertile land and a tropical climate. Rice is one of the agricultural sectors in Indonesia. Rice production in Indonesia has decreased every year. Thus, rice production factors are very significant. Rice disease is one of the factors causing the decline in rice production in Indonesia. Technological developments have made it easier to recognize the types of rice plant diseases. Machine learning is one of the technologies used to identify types of rice diseases. The classification system of rice plant disease used the Convolutional Neural Network method. Convolutional Neural Network (CNN) is a machine learning method used in object recognition. This method applies to the VGG19 architecture, which has features to improve results. The image used as training and test data consists of 105 images, divided into training and test images. Parameter testing using epoch variations and data augmentation. The research results obtained a test accuracy of 95.24%.


2021 ◽  
Author(s):  
Poshan Niraula ◽  
Jorge Mateu ◽  
Somnath Chaudhuri

Abstract Modeling the behavior and spread of infectious diseases on space and time is key in devising public policies for preventive measures. This behavior is so complex that there are lots of uncertainties in both the data and in the process itself. We argue here that these uncertainties should be taken into account in the modeling strategy. Machine learning methods, and neural networks, in particular, are useful in modeling this sort of complex problems, although they generally lack of probabilistic interpretations. We thus present here a neural network method embedded in a Bayesian framework for modeling and predicting the number of cases of infectious diseases in areal units. A key feature is that our combined model considers the impact of human movement on the spread of the infectious disease, as an additional random factor to the also considered spatial neighborhood and temporal correlation components. Our model is evaluated over a COVID-19 dataset for 245 health zones of Castilla-Leon (Spain). The results show that a Bayesian model informed by a neural network method is generally able to predict the number of cases of COVID-19 in both space and time, with the human mobility factor having a strong influence on the model.


Methods for evaluation the manufacturability of a vehicle in the field of production and operation based on an energy indicator, expert estimates and usage of a neural network are stated. By using the neural network method the manufacturability of a car in a complex and for individual units is considered. The preparation of the initial data at usage a neural network for predicting the manufacturability of a vehicle is shown; the training algorithm and the architecture for calculating the manufacturability of the main units are given. According to the calculation results, comparative data on the manufacturability vehicles of various brands are given.


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