scholarly journals Reverse-engineering human olfactory perception from chemical features of odor molecules

2016 ◽  
Author(s):  
Andreas Keller ◽  
Richard C. Gerkin ◽  
Yuanfang Guan ◽  
Amit Dhurandhar ◽  
Gabor Turu ◽  
...  
Keyword(s):  
Machine Learning ◽  
Random Forest ◽  
Molecular Mechanisms ◽  
Linear Models ◽  
Predictive Accuracy ◽  
High Accuracy ◽  
Machine Learning Algorithms ◽  
Olfactory Perception ◽  
Theoretical Limit ◽  
Reverse Engineer

AbstractDespite 25 years of progress in understanding the molecular mechanisms of olfaction, it is still not possible to predict whether a given molecule will have a perceived odor, or what olfactory percept it will produce. To address this stimulus-percept problem for olfaction, we organized the crowd-sourced DREAM Olfaction Prediction Challenge. Working from a large olfactory psychophysical dataset, teams developed machine learning algorithms to predict sensory attributes of molecules based on their chemoinformatic features. The resulting models predicted odor intensity and pleasantness with high accuracy, and also successfully predicted eight semantic descriptors (“garlic”, “fish”, “sweet”, “fruit”, “burnt”, “spices”, “flower”, “sour”). Regularized linear models performed nearly as well as random-forest-based approaches, with a predictive accuracy that closely approaches a key theoretical limit. The models presented here make it possible to predict the perceptual qualities of virtually any molecule with an impressive degree of accuracy to reverse-engineer the smell of a molecule.One Sentence SummaryResults of a crowdsourcing competition show that it is possible to accurately predict and reverse-engineer the smell of a molecule.

PSIX-15 Assessment of machine learning algorithms for prediction of Aleutian disease in American mink

2021 ◽  
Vol 99 (Supplement_3) ◽  
pp. 264-265
Author(s):  
Duy Ngoc Do ◽  
Guoyu Hu ◽  
Younes Miar
Keyword(s):  
Machine Learning ◽  
Random Forest ◽  
Linear Models ◽  
American Mink ◽  
Learning Algorithms ◽  
Machine Learning Algorithms ◽  
Training Data ◽  
Enzyme Linked Immunosorbent Assay ◽  
Linear Discriminant ◽  
Machine Learning Classification

Abstract American mink (Neovison vison) is the major source of fur for the fur industries worldwide and Aleutian disease (AD) is causing severe financial losses to the mink industry. Different methods have been used to diagnose the AD in mink, but the combination of several methods can be the most appropriate approach for the selection of AD resilient mink. Iodine agglutination test (IAT) and counterimmunoelectrophoresis (CIEP) methods are commonly employed in test-and-remove strategy; meanwhile, enzyme-linked immunosorbent assay (ELISA) and packed-cell volume (PCV) methods are complementary. However, using multiple methods are expensive; and therefore, hindering the corrected use of AD tests in selection. This research presented the assessments of the AD classification based on machine learning algorithms. The Aleutian disease was tested on 1,830 individuals using these tests in an AD positive mink farm (Canadian Centre for Fur Animal Research, NS, Canada). The accuracy of classification for CIEP was evaluated based on the sex information, and IAT, ELISA and PCV test results implemented in seven machine learning classification algorithms (Random Forest, Artificial Neural Networks, C50Tree, Naive Bayes, Generalized Linear Models, Boost, and Linear Discriminant Analysis) using the Caret package in R. The accuracy of prediction varied among the methods. Overall, the Random Forest was the best-performing algorithm for the current dataset with an accuracy of 0.89 in the training data and 0.94 in the testing data. Our work demonstrated the utility and relative ease of using machine learning algorithms to assess the CIEP information, and consequently reducing the cost of AD tests. However, further works require the inclusion of production and reproduction information in the models and extension of phenotypic collection to increase the accuracy of current methods.

scholarly journals Predicting Bank Operational Efficiency Using Machine Learning Algorithm: Comparative Study of Decision Tree, Random Forest, and Neural Networks

2020 ◽  
Vol 2020 ◽  
pp. 1-12
Author(s):  
Peter Appiahene ◽  
Yaw Marfo Missah ◽  
Ussiph Najim
Keyword(s):  
Machine Learning ◽  
Random Forest ◽  
Decision Tree ◽  
Banking Sector ◽  
Banking Industry ◽  
Predictive Accuracy ◽  
Learning Algorithm ◽  
Machine Learning Algorithms ◽  
Machine Learning Algorithm ◽  
And Performance

The financial crisis that hit Ghana from 2015 to 2018 has raised various issues with respect to the efficiency of banks and the safety of depositors’ in the banking industry. As part of measures to improve the banking sector and also restore customers’ confidence, efficiency and performance analysis in the banking industry has become a hot issue. This is because stakeholders have to detect the underlying causes of inefficiencies within the banking industry. Nonparametric methods such as Data Envelopment Analysis (DEA) have been suggested in the literature as a good measure of banks’ efficiency and performance. Machine learning algorithms have also been viewed as a good tool to estimate various nonparametric and nonlinear problems. This paper presents a combined DEA with three machine learning approaches in evaluating bank efficiency and performance using 444 Ghanaian bank branches, Decision Making Units (DMUs). The results were compared with the corresponding efficiency ratings obtained from the DEA. Finally, the prediction accuracies of the three machine learning algorithm models were compared. The results suggested that the decision tree (DT) and its C5.0 algorithm provided the best predictive model. It had 100% accuracy in predicting the 134 holdout sample dataset (30% banks) and a P value of 0.00. The DT was followed closely by random forest algorithm with a predictive accuracy of 98.5% and a P value of 0.00 and finally the neural network (86.6% accuracy) with a P value 0.66. The study concluded that banks in Ghana can use the result of this study to predict their respective efficiencies. All experiments were performed within a simulation environment and conducted in R studio using R codes.

scholarly journals Energy Audit System for Households using Machine Learning

2021 ◽  
Vol 10 (7) ◽  
pp. 33-36
Author(s):  
Nagesh* A.
Keyword(s):  
Machine Learning ◽  
Energy Consumption ◽  
Random Forest ◽  
Energy Demand ◽  
Predictive Accuracy ◽  
Machine Learning Algorithms ◽  
Training Data ◽  
Energy Audit ◽  
Household Level ◽  
Audit System

the growth in population and economics the global demand for energy is increased considerably. The large amount of energy demand comes from houses. Because of this the energy efficiency in houses in considered most important aspect towards the global sustainability. The machine learning algorithms contributed heavily in predicting the amount of energy consumed in household level. In this paper, a energy audit system using machine learning are developed to estimate the amount of energy consumed at household level in order to identify probable areas to plug wastage of energy in household. Each energy audit system is trained using one machine leaning algorithm with previous power consumption history of training data. By converting this data into knowledge, gratification of analysis of energy consumption is attained. The performance of energy audit Linear Regression system is 82%, Decision Tree system is 86% and Random Forest 91% are predicted energy consumption and the performance of learning methods were evaluated based on the heir predictive accuracy, ease of learning and user friendly characteristics. The Random Forest energy audit system is superior when compare to other energy audit system.

27 Machine Learning Algorithms Based on Haplotype Libraries for Classification of Stillbirth Susceptibility in Holstein Cows

2021 ◽  
Vol 99 (Supplement_3) ◽  
pp. 15-16
Author(s):  
Pablo A S Fonseca ◽  
Massimo Tornatore ◽  
Angela Cánovas
Keyword(s):  
Machine Learning ◽  
Genome Wide Association Study ◽  
Linear Models ◽  
Predictive Accuracy ◽  
Area Under The Curve ◽  
Predictive Performance ◽  
Machine Learning Algorithms ◽  
Economic Losses ◽  
Nucleotide Polymorphisms ◽  
Birth Records

Abstract Reduced fertility is one of the main causes of economic losses in dairy farms. The cost of a stillbirth is estimated in US$ 938 per case in Holstein herds. Machine learning (ML) is gaining popularity in the livestock sector as a mean to identify hidden patterns and due to its potential to address dimensionality problems. Here we investigate the application of ML algorithms for the prediction of cows with higher stillbirth susceptibility in two scenarios: cows with >25% and >33.33% of stillbirths among birth records. These thresholds correspond to percentiles 75 (still_75) and 90 (still_90), respectively. A total of 10,570 cows and 50,541 birth records were collected to perform a haplotype-based genome-wide association study. Five-hundred significant pseudo single nucleotide polymorphisms (pseudo-SNPs) (False-Discovery Rate< 0.05) were used as input features of ML-based predictions to determine if the cow is in the top-75 and top-90 percentiles. Table 1 shows the classification performance of the investigated ML and linear models. The ML models outperformed linear models for both thresholds. In general, still_75 showed higher F1 values compared to still_90, suggesting a lower misclassification ratio when a less stringent threshold is used. We observe that accuracy of the models in our study is higher when compared to ML-based prediction accuracies in other breeds, e.g. compared to the accuracies of 0.46 and 0.67 that were achieved using SNPs for body weight in Brahman and fertility traits in Nellore, respectively. Xgboost algorithm shows the highest balanced accuracy (BA; 0.625), F1-score (0.588) and area under the curve (AUC; 0.688), suggesting that xgboost can achieve the highest predictive performance and the lowest difference in misclassification ratio between classes. The ML applied over haplotype libraries is an interesting approach for the detection of animals with higher susceptibility to stillbirths due to highest predictive accuracy and relatively lower misclassification ratio.

scholarly journals Implementing Machine Learning Algorithms to Classify Postures and Forecast Motions When Using a Dynamic Chair

Sensors ◽  
2022 ◽  
Vol 22 (1) ◽  
pp. 400
Author(s):  
Ghazal Farhani ◽  
Yue Zhou ◽  
Patrick Danielson ◽  
Ana Luisa Trejos
Keyword(s):  
Machine Learning ◽  
Support Vector Machine ◽  
Random Forest ◽  
Learning Algorithms ◽  
High Accuracy ◽  
Machine Learning Algorithms ◽  
Support Vector ◽  
Lstm Network ◽  
Health Complications ◽  
Convolutional Lstm

Many modern jobs require long periods of sitting on a chair that may result in serious health complications. Dynamic chairs are proposed as alternatives to the traditional sitting chairs; however, previous studies have suggested that most users are not aware of their postures and do not take advantage of the increased range of motion offered by the dynamic chairs. Building a system that identifies users’ postures in real time, as well as forecasts the next few postures, can bring awareness to the sitting behavior of each user. In this study, machine learning algorithms have been implemented to automatically classify users’ postures and forecast their next motions. The random forest, gradient decision tree, and support vector machine algorithms were used to classify postures. The evaluation of the trained classifiers indicated that they could successfully identify users’ postures with an accuracy above 90%. The algorithm can provide users with an accurate report of their sitting habits. A 1D-convolutional-LSTM network has also been implemented to forecast users’ future postures based on their previous motions, the model can forecast a user’s motions with high accuracy (97%). The ability of the algorithm to forecast future postures could be used to suggest alternative postures as needed.

A feature-based hybrid recommender system for risk prediction : Machine learning approach (Preprint)

2020 ◽  
Author(s):  
Uzair Bhatti
Keyword(s):  
Machine Learning ◽  
Risk Prediction ◽  
Predictive Accuracy ◽  
Correct Diagnosis ◽  
Recommendation Systems ◽  
Data Integrity ◽  
Machine Learning Algorithms ◽  
Patient Counseling ◽  
Hybrid Filtering ◽  
Novel Algorithm

BACKGROUND In the era of health informatics, exponential growth of information generated by health information systems and healthcare organizations demands expert and intelligent recommendation systems. It has become one of the most valuable tools as it reduces problems such as information overload while selecting and suggesting doctors, hospitals, medicine, diagnosis etc according to patients’ interests. OBJECTIVE Recommendation uses Hybrid Filtering as one of the most popular approaches, but the major limitations of this approach are selectivity and data integrity issues.Mostly existing recommendation systems & risk prediction algorithms focus on a single domain, on the other end cross-domain hybrid filtering is able to alleviate the degree of selectivity and data integrity problems to a better extent. METHODS We propose a novel algorithm for recommendation & predictive model using KNN algorithm with machine learning algorithms and artificial intelligence (AI). We find the factors that directly impact on diseases and propose an approach for predicting the correct diagnosis of different diseases. We have constructed a series of models with good reliability for predicting different surgery complications and identified several novel clinical associations. We proposed a novel algorithm pr-KNN to use KNN for prediction and recommendation of diseases RESULTS Beside that we compared the performance of our algorithm with other machine algorithms and found better performance of our algorithm, with predictive accuracy improving by +3.61%. CONCLUSIONS The potential to directly integrate these predictive tools into EHRs may enable personalized medicine and decision-making at the point of care for patient counseling and as a teaching tool. CLINICALTRIAL dataset for the trials of patient attached

Development of Prediction Models Using Machine Learning Algorithms for Girls with Suspected Central Precocious Puberty: Retrospective Study (Preprint)

2018 ◽  
Author(s):  
Liyan Pan ◽  
Guangjian Liu ◽  
Xiaojian Mao ◽  
Huixian Li ◽  
Jiexin Zhang ◽  
...  
Keyword(s):  
Machine Learning ◽  
Retrospective Study ◽  
Random Forest ◽  
Precocious Puberty ◽  
Prediction Models ◽  
Central Precocious Puberty ◽  
Machine Learning Algorithms ◽  
Stimulation Test ◽  
Gnrh Analogue ◽  
Prediction Probability

BACKGROUND Central precocious puberty (CPP) in girls seriously affects their physical and mental development in childhood. The method of diagnosis—gonadotropin-releasing hormone (GnRH)–stimulation test or GnRH analogue (GnRHa)–stimulation test—is expensive and makes patients uncomfortable due to the need for repeated blood sampling. OBJECTIVE We aimed to combine multiple CPP–related features and construct machine learning models to predict response to the GnRHa-stimulation test. METHODS In this retrospective study, we analyzed clinical and laboratory data of 1757 girls who underwent a GnRHa test in order to develop XGBoost and random forest classifiers for prediction of response to the GnRHa test. The local interpretable model-agnostic explanations (LIME) algorithm was used with the black-box classifiers to increase their interpretability. We measured sensitivity, specificity, and area under receiver operating characteristic (AUC) of the models. RESULTS Both the XGBoost and random forest models achieved good performance in distinguishing between positive and negative responses, with the AUC ranging from 0.88 to 0.90, sensitivity ranging from 77.91% to 77.94%, and specificity ranging from 84.32% to 87.66%. Basal serum luteinizing hormone, follicle-stimulating hormone, and insulin-like growth factor-I levels were found to be the three most important factors. In the interpretable models of LIME, the abovementioned variables made high contributions to the prediction probability. CONCLUSIONS The prediction models we developed can help diagnose CPP and may be used as a prescreening tool before the GnRHa-stimulation test.

scholarly journals Exploratory Analysis of Driving Force of Wildfires in Australia: An Application of Machine Learning within Google Earth Engine

2020 ◽  
Vol 13 (1) ◽  
pp. 10
Author(s):  
Andrea Sulova ◽  
Jamal Jokar Arsanjani
Keyword(s):  
Climate Change ◽  
Machine Learning ◽  
Random Forest ◽  
Google Earth ◽  
Summer Season ◽  
Driving Factors ◽  
Machine Learning Algorithms ◽  
Classification And Regression Tree ◽  
Training Dataset ◽  
Google Earth Engine

Recent studies have suggested that due to climate change, the number of wildfires across the globe have been increasing and continue to grow even more. The recent massive wildfires, which hit Australia during the 2019–2020 summer season, raised questions to what extent the risk of wildfires can be linked to various climate, environmental, topographical, and social factors and how to predict fire occurrences to take preventive measures. Hence, the main objective of this study was to develop an automatized and cloud-based workflow for generating a training dataset of fire events at a continental level using freely available remote sensing data with a reasonable computational expense for injecting into machine learning models. As a result, a data-driven model was set up in Google Earth Engine platform, which is publicly accessible and open for further adjustments. The training dataset was applied to different machine learning algorithms, i.e., Random Forest, Naïve Bayes, and Classification and Regression Tree. The findings show that Random Forest outperformed other algorithms and hence it was used further to explore the driving factors using variable importance analysis. The study indicates the probability of fire occurrences across Australia as well as identifies the potential driving factors of Australian wildfires for the 2019–2020 summer season. The methodical approach and achieved results and drawn conclusions can be of great importance to policymakers, environmentalists, and climate change researchers, among others.

scholarly journals A novel framework for designing a multi-DoF prosthetic wrist control using machine learning

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Chinmay P. Swami ◽  
Nicholas Lenhard ◽  
Jiyeon Kang
Keyword(s):  
Machine Learning ◽  
Random Forest ◽  
Upper Limb ◽  
Daily Living ◽  
Machine Learning Algorithms ◽  
Data Sets ◽  
Random Forest Regression ◽  
Prosthetic Devices ◽  
Upper Limb Function ◽  
The Neural Network

AbstractProsthetic arms can significantly increase the upper limb function of individuals with upper limb loss, however despite the development of various multi-DoF prosthetic arms the rate of prosthesis abandonment is still high. One of the major challenges is to design a multi-DoF controller that has high precision, robustness, and intuitiveness for daily use. The present study demonstrates a novel framework for developing a controller leveraging machine learning algorithms and movement synergies to implement natural control of a 2-DoF prosthetic wrist for activities of daily living (ADL). The data was collected during ADL tasks of ten individuals with a wrist brace emulating the absence of wrist function. Using this data, the neural network classifies the movement and then random forest regression computes the desired velocity of the prosthetic wrist. The models were trained/tested with ADLs where their robustness was tested using cross-validation and holdout data sets. The proposed framework demonstrated high accuracy (F-1 score of 99% for the classifier and Pearson’s correlation of 0.98 for the regression). Additionally, the interpretable nature of random forest regression was used to verify the targeted movement synergies. The present work provides a novel and effective framework to develop an intuitive control for multi-DoF prosthetic devices.

scholarly journals PredNTS: Improved and Robust Prediction of Nitrotyrosine Sites by Integrating Multiple Sequence Features

2021 ◽  
Vol 22 (5) ◽  
pp. 2704
Author(s):  
Andi Nur Nilamyani ◽  
Firda Nurul Auliah ◽  
Mohammad Ali Moni ◽  
Watshara Shoombuatong ◽  
Md Mehedi Hasan ◽  
...  
Keyword(s):  
Machine Learning ◽  
Random Forest ◽  
Web Application ◽  
Computational Prediction ◽  
Vital Role ◽  
Machine Learning Algorithms ◽  
Recursive Feature Elimination ◽  
Post Translational Modification ◽  
Multiple Sequence ◽  
Sequence Features

Nitrotyrosine, which is generated by numerous reactive nitrogen species, is a type of protein post-translational modification. Identification of site-specific nitration modification on tyrosine is a prerequisite to understanding the molecular function of nitrated proteins. Thanks to the progress of machine learning, computational prediction can play a vital role before the biological experimentation. Herein, we developed a computational predictor PredNTS by integrating multiple sequence features including K-mer, composition of k-spaced amino acid pairs (CKSAAP), AAindex, and binary encoding schemes. The important features were selected by the recursive feature elimination approach using a random forest classifier. Finally, we linearly combined the successive random forest (RF) probability scores generated by the different, single encoding-employing RF models. The resultant PredNTS predictor achieved an area under a curve (AUC) of 0.910 using five-fold cross validation. It outperformed the existing predictors on a comprehensive and independent dataset. Furthermore, we investigated several machine learning algorithms to demonstrate the superiority of the employed RF algorithm. The PredNTS is a useful computational resource for the prediction of nitrotyrosine sites. The web-application with the curated datasets of the PredNTS is publicly available.

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