Neural networks and extreme gradient boosting predict multiple thresholds and trajectories of microbial biodiversity responses due to browning

2021 ◽  
Author(s):  
Laurent Fontaine ◽  
Maryia Khomich ◽  
Tom Andersen ◽  
Dag O. Hessen ◽  
Serena Rasconi ◽  
...  
Keyword(s):  
Machine Learning ◽  
Neural Networks ◽  
Association Studies ◽  
Bacterial Community Composition ◽  
Gas Production ◽  
Boreal Lakes ◽  
Machine Learning Algorithms ◽  
Gradient Boosting ◽  
Multiple Thresholds ◽  
Extreme Gradient Boosting

AbstractEcological association studies often assume monotonicity such as between biodiversity and environmental properties although there is growing evidence that non-monotonic relations dominate in nature. Here we apply machine learning algorithms to reveal the non-monotonic association between microbial diversity and an anthropogenic induced large scale change, the browning of freshwaters, along a longitudinal gradient covering 70 boreal lakes in Scandinavia. Measures of bacterial richness and evenness (alpha diversity) showed non-monotonic trends in relation to environmental gradients, peaking at intermediate levels of browning. Depending on the statistical methods, variables indicative for browning could explain 5% of the variance in bacterial community composition (beta diversity) when applying standard methods assuming monotonic relations and up to 45 % with machine learning methods (i.e. extreme gradient boosting and feed-forward neural networks) taking non-monotonicity into account. This non-monotonicity observed at the community level was explained by the complex interchangeable nature of individual taxa responses as shown by a high degree of non-monotonic responses of individual bacterial sequence variants to browning. Furthermore, the non-monotonic models provide the position of thresholds and predict alternative bacterial diversity trajectories in boreal freshwater as a result of ongoing climate and land use changes, which in turn will affect entire ecosystem metabolism and likely greenhouse gas production.

scholarly journals Multiple thresholds and trajectories of microbial biodiversity predicted across browning gradients by neural networks and decision tree learning

2021 ◽  
Vol 1 (1) ◽  
Author(s):  
Laurent Fontaine ◽  
Maryia Khomich ◽  
Tom Andersen ◽  
Dag O. Hessen ◽  
Serena Rasconi ◽  
...  
Keyword(s):  
Machine Learning ◽  
Large Scale ◽  
Environmental Gradients ◽  
Association Studies ◽  
Bacterial Community Composition ◽  
Alpha Diversity ◽  
Gas Production ◽  
Boreal Lakes ◽  
Machine Learning Algorithms ◽  
Multiple Thresholds

AbstractEcological association studies often assume monotonicity such as between biodiversity and environmental properties although there is growing evidence that nonmonotonic relations dominate in nature. Here, we apply machine-learning algorithms to reveal the nonmonotonic association between microbial diversity and an anthropogenic-induced large-scale change, the browning of freshwaters, along a longitudinal gradient covering 70 boreal lakes in Scandinavia. Measures of bacterial richness and evenness (alpha-diversity) showed nonmonotonic trends in relation to environmental gradients, peaking at intermediate levels of browning. Depending on the statistical methods, variables indicative for browning could explain 5% of the variance in bacterial community composition (beta-diversity) when applying standard methods assuming monotonic relations and up to 45% with machine-learning methods taking non-monotonicity into account. This non-monotonicity observed at the community level was explained by the complex interchangeable nature of individual taxa responses as shown by a high degree of nonmonotonic responses of individual bacterial sequence variants to browning. Furthermore, the nonmonotonic models provide the position of thresholds and predict alternative bacterial diversity trajectories in boreal freshwater as a result of ongoing climate and land-use changes, which in turn will affect entire ecosystem metabolism and likely greenhouse gas production.

scholarly journals Machine Learning Enables Accurate and Rapid Prediction of Active Molecules Against Breast Cancer Cells

2021 ◽  
Vol 12 ◽  
Author(s):  
Shuyun He ◽  
Duancheng Zhao ◽  
Yanle Ling ◽  
Hanxuan Cai ◽  
Yike Cai ◽  
...  
Keyword(s):  
Breast Cancer ◽  
Machine Learning ◽  
Neural Networks ◽  
Learning Algorithms ◽  
Machine Learning Algorithms ◽  
Gradient Boosting ◽  
Breast Cancer Cell Lines ◽  
Support Vector ◽  
Local Version ◽  
Extreme Gradient Boosting

Breast cancer (BC) has surpassed lung cancer as the most frequently occurring cancer, and it is the leading cause of cancer-related death in women. Therefore, there is an urgent need to discover or design new drug candidates for BC treatment. In this study, we first collected a series of structurally diverse datasets consisting of 33,757 active and 21,152 inactive compounds for 13 breast cancer cell lines and one normal breast cell line commonly used in in vitro antiproliferative assays. Predictive models were then developed using five conventional machine learning algorithms, including naïve Bayesian, support vector machine, k-Nearest Neighbors, random forest, and extreme gradient boosting, as well as five deep learning algorithms, including deep neural networks, graph convolutional networks, graph attention network, message passing neural networks, and Attentive FP. A total of 476 single models and 112 fusion models were constructed based on three types of molecular representations including molecular descriptors, fingerprints, and graphs. The evaluation results demonstrate that the best model for each BC cell subtype can achieve high predictive accuracy for the test sets with AUC values of 0.689–0.993. Moreover, important structural fragments related to BC cell inhibition were identified and interpreted. To facilitate the use of the model, an online webserver called ChemBC (http://chembc.idruglab.cn/) and its local version software (https://github.com/idruglab/ChemBC) were developed to predict whether compounds have potential inhibitory activity against BC cells.

Predicting Undesired Treatment Outcome in Mental Healthcare: Machine Learning Study (Preprint)

2019 ◽  
Author(s):  
Kasper Van Mens ◽  
Joran Lokkerbol ◽  
Richard Janssen ◽  
Robert de Lange ◽  
Bea Tiemens
Keyword(s):  
Machine Learning ◽  
Treatment Outcome ◽  
Mental Health Treatment ◽  
Mental Healthcare ◽  
Machine Learning Algorithms ◽  
Gradient Boosting ◽  
Trade Off ◽  
Trade Offs ◽  
Outcome Monitoring ◽  
Extreme Gradient Boosting

BACKGROUND It remains a challenge to predict which treatment will work for which patient in mental healthcare. OBJECTIVE In this study we compare machine algorithms to predict during treatment which patients will not benefit from brief mental health treatment and present trade-offs that must be considered before an algorithm can be used in clinical practice. METHODS Using an anonymized dataset containing routine outcome monitoring data from a mental healthcare organization in the Netherlands (n = 2,655), we applied three machine learning algorithms to predict treatment outcome. The algorithms were internally validated with cross-validation on a training sample (n = 1,860) and externally validated on an unseen test sample (n = 795). RESULTS The performance of the three algorithms did not significantly differ on the test set. With a default classification cut-off at 0.5 predicted probability, the extreme gradient boosting algorithm showed the highest positive predictive value (ppv) of 0.71(0.61 – 0.77) with a sensitivity of 0.35 (0.29 – 0.41) and area under the curve of 0.78. A trade-off can be made between ppv and sensitivity by choosing different cut-off probabilities. With a cut-off at 0.63, the ppv increased to 0.87 and the sensitivity dropped to 0.17. With a cut-off of at 0.38, the ppv decreased to 0.61 and the sensitivity increased to 0.57. CONCLUSIONS Machine learning can be used to predict treatment outcomes based on routine monitoring data.This allows practitioners to choose their own trade-off between being selective and more certain versus inclusive and less certain.

scholarly journals Techniques for Detecting Malware Traffic: A Comprehensive Approach to Feature Selection and Classification

2021 ◽  
Vol 9 (12) ◽  
pp. 1-10
Author(s):  
Harsha A K
Keyword(s):  
Machine Learning ◽  
Feature Selection ◽  
Random Forest ◽  
Learning Algorithms ◽  
Malware Detection ◽  
Machine Learning Algorithms ◽  
Gradient Boosting ◽  
Support Vector ◽  
Steady Increase ◽  
Extreme Gradient Boosting

Abstract: Since the advent of encryption, there has been a steady increase in malware being transmitted over encrypted networks. Traditional approaches to detect malware like packet content analysis are inefficient in dealing with encrypted data. In the absence of actual packet contents, we can make use of other features like packet size, arrival time, source and destination addresses and other such metadata to detect malware. Such information can be used to train machine learning classifiers in order to classify malicious and benign packets. In this paper, we offer an efficient malware detection approach using classification algorithms in machine learning such as support vector machine, random forest and extreme gradient boosting. We employ an extensive feature selection process to reduce the dimensionality of the chosen dataset. The dataset is then split into training and testing sets. Machine learning algorithms are trained using the training set. These models are then evaluated against the testing set in order to assess their respective performances. We further attempt to tune the hyper parameters of the algorithms, in order to achieve better results. Random forest and extreme gradient boosting algorithms performed exceptionally well in our experiments, resulting in area under the curve values of 0.9928 and 0.9998 respectively. Our work demonstrates that malware traffic can be effectively classified using conventional machine learning algorithms and also shows the importance of dimensionality reduction in such classification problems. Keywords: Malware Detection, Extreme Gradient Boosting, Random Forest, Feature Selection.

Machine learning algorithms for predicting undernutrition among under-five children in Ethiopia

2021 ◽  
pp. 1-29
Author(s):  
Fikrewold H. Bitew ◽  
Corey S. Sparks ◽  
Samuel H. Nyarko
Keyword(s):  
Machine Learning ◽  
Linear Models ◽  
Learning Algorithms ◽  
Public Health Problem ◽  
Water Source ◽  
Machine Learning Algorithms ◽  
Gradient Boosting ◽  
Global Public Health ◽  
Prediction Ability ◽  
Extreme Gradient Boosting

Abstract Objective: Child undernutrition is a global public health problem with serious implications. In this study, estimate predictive algorithms for the determinants of childhood stunting by using various machine learning (ML) algorithms. Design: This study draws on data from the Ethiopian Demographic and Health Survey of 2016. Five machine learning algorithms including eXtreme gradient boosting (xgbTree), k-nearest neighbors (K-NN), random forest (RF), neural network (NNet), and the generalized linear models (GLM) were considered to predict the socio-demographic risk factors for undernutrition in Ethiopia. Setting: Households in Ethiopia. Participants: A total of 9,471 children below five years of age. Results: The descriptive results show substantial regional variations in child stunting, wasting, and underweight in Ethiopia. Also, among the five ML algorithms, xgbTree algorithm shows a better prediction ability than the generalized linear mixed algorithm. The best predicting algorithm (xgbTree) shows diverse important predictors of undernutrition across the three outcomes which include time to water source, anemia history, child age greater than 30 months, small birth size, and maternal underweight, among others. Conclusions: The xgbTree algorithm was a reasonably superior ML algorithm for predicting childhood undernutrition in Ethiopia compared to other ML algorithms considered in this study. The findings support improvement in access to water supply, food security, and fertility regulation among others in the quest to considerably improve childhood nutrition in Ethiopia.

scholarly journals Evaluating Variable Selection and Machine Learning Algorithms for Estimating Forest Heights by Combining Lidar and Hyperspectral Data

2020 ◽  
Vol 9 (9) ◽  
pp. 507
Author(s):  
Sanjiwana Arjasakusuma ◽  
Sandiaga Swahyu Kusuma ◽  
Stuart Phinn
Keyword(s):  
Machine Learning ◽  
Feature Selection ◽  
Learning Algorithms ◽  
Principal Component ◽  
Hyperspectral Data ◽  
Machine Learning Algorithms ◽  
Gradient Boosting ◽  
Support Vector ◽  
Forest Height ◽  
Extreme Gradient Boosting

Machine learning has been employed for various mapping and modeling tasks using input variables from different sources of remote sensing data. For feature selection involving high- spatial and spectral dimensionality data, various methods have been developed and incorporated into the machine learning framework to ensure an efficient and optimal computational process. This research aims to assess the accuracy of various feature selection and machine learning methods for estimating forest height using AISA (airborne imaging spectrometer for applications) hyperspectral bands (479 bands) and airborne light detection and ranging (lidar) height metrics (36 metrics), alone and combined. Feature selection and dimensionality reduction using Boruta (BO), principal component analysis (PCA), simulated annealing (SA), and genetic algorithm (GA) in combination with machine learning algorithms such as multivariate adaptive regression spline (MARS), extra trees (ET), support vector regression (SVR) with radial basis function, and extreme gradient boosting (XGB) with trees (XGbtree and XGBdart) and linear (XGBlin) classifiers were evaluated. The results demonstrated that the combinations of BO-XGBdart and BO-SVR delivered the best model performance for estimating tropical forest height by combining lidar and hyperspectral data, with R2 = 0.53 and RMSE = 1.7 m (18.4% of nRMSE and 0.046 m of bias) for BO-XGBdart and R2 = 0.51 and RMSE = 1.8 m (15.8% of nRMSE and −0.244 m of bias) for BO-SVR. Our study also demonstrated the effectiveness of BO for variables selection; it could reduce 95% of the data to select the 29 most important variables from the initial 516 variables from lidar metrics and hyperspectral data.

scholarly journals DeepVF: a deep learning-based hybrid framework for identifying virulence factors using the stacking strategy

2020 ◽  
Author(s):  
Ruopeng Xie ◽  
Jiahui Li ◽  
Jiawei Wang ◽  
Wei Dai ◽  
André Leier ◽  
...  
Keyword(s):  
Neural Networks ◽  
Deep Learning ◽  
Virulence Factors ◽  
Bacterial Genome ◽  
Machine Learning Algorithms ◽  
Gradient Boosting ◽  
Support Vector ◽  
Wide Range ◽  
Extreme Gradient Boosting ◽  
Hybrid Framework

Abstract Virulence factors (VFs) enable pathogens to infect their hosts. A wealth of individual, disease-focused studies has identified a wide variety of VFs, and the growing mass of bacterial genome sequence data provides an opportunity for computational methods aimed at predicting VFs. Despite their attractive advantages and performance improvements, the existing methods have some limitations and drawbacks. Firstly, as the characteristics and mechanisms of VFs are continually evolving with the emergence of antibiotic resistance, it is more and more difficult to identify novel VFs using existing tools that were previously developed based on the outdated data sets; secondly, few systematic feature engineering efforts have been made to examine the utility of different types of features for model performances, as the majority of tools only focused on extracting very few types of features. By addressing the aforementioned issues, the accuracy of VF predictors can likely be significantly improved. This, in turn, would be particularly useful in the context of genome wide predictions of VFs. In this work, we present a deep learning (DL)-based hybrid framework (termed DeepVF) that is utilizing the stacking strategy to achieve more accurate identification of VFs. Using an enlarged, up-to-date dataset, DeepVF comprehensively explores a wide range of heterogeneous features with popular machine learning algorithms. Specifically, four classical algorithms, including random forest, support vector machines, extreme gradient boosting and multilayer perceptron, and three DL algorithms, including convolutional neural networks, long short-term memory networks and deep neural networks are employed to train 62 baseline models using these features. In order to integrate their individual strengths, DeepVF effectively combines these baseline models to construct the final meta model using the stacking strategy. Extensive benchmarking experiments demonstrate the effectiveness of DeepVF: it achieves a more accurate and stable performance compared with baseline models on the benchmark dataset and clearly outperforms state-of-the-art VF predictors on the independent test. Using the proposed hybrid ensemble model, a user-friendly online predictor of DeepVF (http://deepvf.erc.monash.edu/) is implemented. Furthermore, its utility, from the user’s viewpoint, is compared with that of existing toolkits. We believe that DeepVF will be exploited as a useful tool for screening and identifying potential VFs from protein-coding gene sequences in bacterial genomes.

Using Machine Learning to Predict National Hockey League Average Home Game Attendance

2018 ◽  
Vol 12 (2) ◽  
pp. 85-98 ◽  
Author(s):  
Barry E King ◽  
Jennifer L Rice ◽  
Julie Vaughan
Keyword(s):  
Machine Learning ◽  
Machine Learning Algorithms ◽  
National Hockey League ◽  
Gradient Boosting ◽  
Mean Square ◽  
Sample Average ◽  
Extreme Gradient Boosting ◽  
Out Of Sample ◽  
Game Attendance ◽  
Home Game

Research predicting National Hockey League average attendance is presented. The seasons examined are the 2013 hockey season through the beginning of the 2017 hockey season. Multiple linear regression and three machine learning algorithms – random forest, M5 prime, and extreme gradient boosting – are employed to predict out-of-sample average home game attendance. Extreme gradient boosting generated the lowest out-of-sample root mean square error.  The team identifier (team name), the number of Twitter followers (a surrogate for team popularity), median ticket price, and arena capacity have appeared as the top four predictor variables. 

scholarly journals Application of Machine Learning Algorithms to Predict Central Lymph Node Metastasis in T1-T2, Non-invasive, and Clinically Node Negative Papillary Thyroid Carcinoma

2021 ◽  
Vol 8 ◽  
Author(s):  
Jiang Zhu ◽  
Jinxin Zheng ◽  
Longfei Li ◽  
Rui Huang ◽  
Haoyu Ren ◽  
...  
Keyword(s):  
Machine Learning ◽  
Lymph Node ◽  
Machine Learning Algorithms ◽  
Gradient Boosting ◽  
Central Lymph Node ◽  
Node Negative ◽  
Non Invasive ◽  
Online Risk ◽  
Extreme Gradient Boosting ◽  
Central Lymph

Purpose: While there are no clear indications of whether central lymph node dissection is necessary in patients with T1-T2, non-invasive, clinically uninvolved central neck lymph nodes papillary thyroid carcinoma (PTC), this study seeks to develop and validate models for predicting the risk of central lymph node metastasis (CLNM) in these patients based on machine learning algorithms.Methods: This is a retrospective study comprising 1,271 patients with T1-T2 stage, non-invasive, and clinically node negative (cN0) PTC who underwent surgery at the Department of Endocrine and Breast Surgery of The First Affiliated Hospital of Chongqing Medical University from February 1, 2016, to December 31, 2018. We applied six machine learning (ML) algorithms, including Logistic Regression (LR), Gradient Boosting Machine (GBM), Extreme Gradient Boosting (XGBoost), Random Forest (RF), Decision Tree (DT), and Neural Network (NNET), coupled with preoperative clinical characteristics and intraoperative information to develop prediction models for CLNM. Among all the samples, 70% were randomly selected to train the models while the remaining 30% were used for validation. Indices like the area under the receiver operating characteristic (AUROC), sensitivity, specificity, and accuracy were calculated to test the models' performance.Results: The results showed that ~51.3% (652 out of 1,271) of the patients had pN1 disease. In multivariate logistic regression analyses, gender, tumor size and location, multifocality, age, and Delphian lymph node status were all independent predictors of CLNM. In predicting CLNM, six ML algorithms posted AUROC of 0.70–0.75, with the extreme gradient boosting (XGBoost) model standing out, registering 0.75. Thus, we employed the best-performing ML algorithm model and uploaded the results to a self-made online risk calculator to estimate an individual's probability of CLNM (https://jin63.shinyapps.io/ML_CLNM/).Conclusions: With the incorporation of preoperative and intraoperative risk factors, ML algorithms can achieve acceptable prediction of CLNM with Xgboost model performing the best. Our online risk calculator based on ML algorithm may help determine the optimal extent of initial surgical treatment for patients with T1-T2 stage, non-invasive, and clinically node negative PTC.

scholarly journals Random forest and extreme gradient boosting algorithms for streamflow modeling using vessel features, and tree-rings

2021 ◽  
Author(s):  
Hossein Sahour ◽  
Vahid Gholami ◽  
Javad Torkman ◽  
Mehdi Vazifedan ◽  
Sirwe Saeedi
Keyword(s):  
Machine Learning ◽  
Random Forest ◽  
Tree Rings ◽  
Test Site ◽  
Machine Learning Algorithms ◽  
Coefficient Of Determination ◽  
Gradient Boosting ◽  
Growing Seasons ◽  
Extreme Gradient Boosting ◽  
Streamflow Modeling

Abstract Monitoring temporal variation of streamflow is necessary for many water resources management plans, yet, such practices are constrained by the absence or paucity of data in many rivers around the world. Using a permanent river in the north of Iran as a test site, a machine learning framework was proposed to model the streamflow data in the three periods of growing seasons based on tree-rings and vessel features of the Zelkova carpinifolia species. First, full-disc samples were taken from 30 trees near the river, and the samples went through preprocessing, cross-dating, standardization, and time series analysis. Two machine learning algorithms, namely random forest (RF) and extreme gradient boosting (XGB), were used to model the relationships between dendrochronology variables (tree-rings and vessel features in the three periods of growing seasons) and the corresponding streamflow rates. The performance of each model was evaluated using statistical coefficients (coefficient of determination (R-squared), Nash-Sutcliffe efficiency (NSE), and root-mean-square error (NRMSE)). Findings demonstrate that consideration should be given to the XGB model in streamflow modeling given its apparent enhanced performance (R-squared: 0.87; NSE: 0.81; and NRMSE: 0.43) over the RF model (R-squared: 0.82; NSE: 0.71; and NRMSE: 0.52). Further, the results showed that the models perform better in modeling the normal and low flows compared to extremely high flows. Finally, the tested models were used to reconstruct the temporal streamflow during the past decades (1970–1981).

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