scholarly journals Predicting runtimes of bioinformatics tools based on historical data: five years of Galaxy usage

2019 ◽  
Vol 35 (18) ◽  
pp. 3453-3460 ◽  
Author(s):  
Anastasia Tyryshkina ◽  
Nate Coraor ◽  
Anton Nekrutenko
Keyword(s):  
Random Forest ◽  
Supplementary Information ◽  
Gradient Boosting ◽  
Resource Requirement ◽  
Bioinformatics Analyses ◽  
Runtime Prediction ◽  
The Galaxy ◽  
Processing Resources ◽  
Resource Usage Prediction ◽  
The Many

Abstract Motivation One of the many technical challenges that arises when scheduling bioinformatics analyses at scale is determining the appropriate amount of memory and processing resources. Both over- and under-allocation leads to an inefficient use of computational infrastructure. Over allocation locks resources that could otherwise be used for other analyses. Under-allocation causes job failure and requires analyses to be repeated with a larger memory or runtime allowance. We address this challenge by using a historical dataset of bioinformatics analyses run on the Galaxy platform to demonstrate the feasibility of an online service for resource requirement estimation. Results Here we introduced the Galaxy job run dataset and tested popular machine learning models on the task of resource usage prediction. We include three popular forest models: the extra trees regressor, the gradient boosting regressor and the random forest regressor, and find that random forests perform best in the runtime prediction task. We also present two methods of choosing walltimes for previously unseen jobs. Quantile regression forests are more accurate in their predictions, and grant the ability to improve performance by changing the confidence of the estimates. However, the sizes of the confidence intervals are variable and cannot be absolutely constrained. Random forest classifiers address this problem by providing control over the size of the prediction intervals with an accuracy that is comparable to that of the regressor. We show that estimating the memory requirements of a job is possible using the same methods, which as far as we know, has not been done before. Such estimation can be highly beneficial for accurate resource allocation. Availability and implementation Source code available at https://github.com/atyryshkina/algorithm-performance-analysis, implemented in Python. Supplementary information Supplementary data are available at Bioinformatics online.

scholarly journals Laniakea@ReCaS: exploring the potential of customisable Galaxy on-demand instances as a cloud-based service

2021 ◽  
Vol 22 (S15) ◽  
Author(s):  
Marco Antonio Tangaro ◽  
Pietro Mandreoli ◽  
Matteo Chiara ◽  
Giacinto Donvito ◽  
Marica Antonacci ◽  
...  
Keyword(s):  
Rapid Development ◽  
Use Cases ◽  
Bioinformatics Analyses ◽  
On Demand ◽  
Bioinformatics Tools ◽  
Global Pandemic ◽  
The Galaxy ◽  
Set Up ◽  
One Year ◽  
The Many

Abstract Background Improving the availability and usability of data and analytical tools is a critical precondition for further advancing modern biological and biomedical research. For instance, one of the many ramifications of the COVID-19 global pandemic has been to make even more evident the importance of having bioinformatics tools and data readily actionable by researchers through convenient access points and supported by adequate IT infrastructures. One of the most successful efforts in improving the availability and usability of bioinformatics tools and data is represented by the Galaxy workflow manager and its thriving community. In 2020 we introduced Laniakea, a software platform conceived to streamline the configuration and deployment of “on-demand” Galaxy instances over the cloud. By facilitating the set-up and configuration of Galaxy web servers, Laniakea provides researchers with a powerful and highly customisable platform for executing complex bioinformatics analyses. The system can be accessed through a dedicated and user-friendly web interface that allows the Galaxy web server’s initial configuration and deployment. Results “Laniakea@ReCaS”, the first instance of a Laniakea-based service, is managed by ELIXIR-IT and was officially launched in February 2020, after about one year of development and testing that involved several users. Researchers can request access to Laniakea@ReCaS through an open-ended call for use-cases. Ten project proposals have been accepted since then, totalling 18 Galaxy on-demand virtual servers that employ ~ 100 CPUs, ~ 250 GB of RAM and ~ 5 TB of storage and serve several different communities and purposes. Herein, we present eight use cases demonstrating the versatility of the platform. Conclusions During this first year of activity, the Laniakea-based service emerged as a flexible platform that facilitated the rapid development of bioinformatics tools, the efficient delivery of training activities, and the provision of public bioinformatics services in different settings, including food safety and clinical research. Laniakea@ReCaS provides a proof of concept of how enabling access to appropriate, reliable IT resources and ready-to-use bioinformatics tools can considerably streamline researchers’ work.

scholarly journals Evaluation of Three Different Machine Learning Methods for Object-Based Artificial Terrace Mapping—A Case Study of the Loess Plateau, China

2021 ◽  
Vol 13 (5) ◽  
pp. 1021
Author(s):  
Hu Ding ◽  
Jiaming Na ◽  
Shangjing Jiang ◽  
Jie Zhu ◽  
Kai Liu ◽  
...  
Keyword(s):  
Machine Learning ◽  
Random Forest ◽  
Loess Plateau ◽  
Water Conservation ◽  
Nearest Neighbor ◽  
Gradient Boosting ◽  
K Nearest Neighbor ◽  
The Loess Plateau ◽  
Object Based ◽  
Extreme Gradient Boosting

Artificial terraces are of great importance for agricultural production and soil and water conservation. Automatic high-accuracy mapping of artificial terraces is the basis of monitoring and related studies. Previous research achieved artificial terrace mapping based on high-resolution digital elevation models (DEMs) or imagery. As a result of the importance of the contextual information for terrace mapping, object-based image analysis (OBIA) combined with machine learning (ML) technologies are widely used. However, the selection of an appropriate classifier is of great importance for the terrace mapping task. In this study, the performance of an integrated framework using OBIA and ML for terrace mapping was tested. A catchment, Zhifanggou, in the Loess Plateau, China, was used as the study area. First, optimized image segmentation was conducted. Then, features from the DEMs and imagery were extracted, and the correlations between the features were analyzed and ranked for classification. Finally, three different commonly-used ML classifiers, namely, extreme gradient boosting (XGBoost), random forest (RF), and k-nearest neighbor (KNN), were used for terrace mapping. The comparison with the ground truth, as delineated by field survey, indicated that random forest performed best, with a 95.60% overall accuracy (followed by 94.16% and 92.33% for XGBoost and KNN, respectively). The influence of class imbalance and feature selection is discussed. This work provides a credible framework for mapping artificial terraces.

scholarly journals Improving the performance of a radio-frequency localization system in adverse outdoor applications

2021 ◽  
Vol 2021 (1) ◽  
Author(s):  
Marcelo N. de Sousa ◽  
Ricardo Sant’Ana ◽  
Rigel P. Fernandes ◽  
Julio Cesar Duarte ◽  
José A. Apolinário ◽  
...  
Keyword(s):  
Random Forest ◽  
Ray Tracing ◽  
Real World ◽  
Practical Implication ◽  
Real Life ◽  
Simulated Data ◽  
Real Data ◽  
Gradient Boosting ◽  
Real World Data ◽  
Localization Accuracy

AbstractIn outdoor RF localization systems, particularly where line of sight can not be guaranteed or where multipath effects are severe, information about the terrain may improve the position estimate’s performance. Given the difficulties in obtaining real data, a ray-tracing fingerprint is a viable option. Nevertheless, although presenting good simulation results, the performance of systems trained with simulated features only suffer degradation when employed to process real-life data. This work intends to improve the localization accuracy when using ray-tracing fingerprints and a few field data obtained from an adverse environment where a large number of measurements is not an option. We employ a machine learning (ML) algorithm to explore the multipath information. We selected algorithms random forest and gradient boosting; both considered efficient tools in the literature. In a strict simulation scenario (simulated data for training, validating, and testing), we obtained the same good results found in the literature (error around 2 m). In a real-world system (simulated data for training, real data for validating and testing), both ML algorithms resulted in a mean positioning error around 100 ,m. We have also obtained experimental results for noisy (artificially added Gaussian noise) and mismatched (with a null subset of) features. From the simulations carried out in this work, our study revealed that enhancing the ML model with a few real-world data improves localization’s overall performance. From the machine ML algorithms employed herein, we also observed that, under noisy conditions, the random forest algorithm achieved a slightly better result than the gradient boosting algorithm. However, they achieved similar results in a mismatch experiment. This work’s practical implication is that multipath information, once rejected in old localization techniques, now represents a significant source of information whenever we have prior knowledge to train the ML algorithm.

scholarly journals Development of a Safety Management System Tracking the Weight of Heavy Objects Carried by Construction Workers Using FSR Sensors

2021 ◽  
Vol 11 (4) ◽  
pp. 1378
Author(s):  
Seung Hyun Lee ◽  
Jaeho Son
Keyword(s):  
Random Forest ◽  
Decision Tree ◽  
Safety Management ◽  
Tracking System ◽  
Construction Workers ◽  
Gradient Boosting ◽  
Prototype System ◽  
Construction Site ◽  
Average Accuracy ◽  
Smart Safety

It has been pointed out that the act of carrying a heavy object that exceeds a certain weight by a worker at a construction site is a major factor that puts physical burden on the worker’s musculoskeletal system. However, due to the nature of the construction site, where there are a large number of workers simultaneously working in an irregular space, it is difficult to figure out the weight of the object carried by the worker in real time or keep track of the worker who carries the excess weight. This paper proposes a prototype system to track the weight of heavy objects carried by construction workers by developing smart safety shoes with FSR (Force Sensitive Resistor) sensors. The system consists of smart safety shoes with sensors attached, a mobile device for collecting initial sensing data, and a web-based server computer for storing, preprocessing and analyzing such data. The effectiveness and accuracy of the weight tracking system was verified through the experiments where a weight was lifted by each experimenter from +0 kg to +20 kg in 5 kg increments. The results of the experiment were analyzed by a newly developed machine learning based model, which adopts effective classification algorithms such as decision tree, random forest, gradient boosting algorithm (GBM), and light GBM. The average accuracy classifying the weight by each classification algorithm showed similar, but high accuracy in the following order: random forest (90.9%), light GBM (90.5%), decision tree (90.3%), and GBM (89%). Overall, the proposed weight tracking system has a significant 90.2% average accuracy in classifying how much weight each experimenter carries.

scholarly journals Development and validation of a difficult laryngoscopy prediction model using machine learning of neck circumference and thyromental height

2021 ◽  
Vol 21 (1) ◽  
Author(s):  
Jong Ho Kim ◽  
Haewon Kim ◽  
Ji Su Jang ◽  
Sung Mi Hwang ◽  
So Young Lim ◽  
...  
Keyword(s):  
Machine Learning ◽  
Random Forest ◽  
Confidence Interval ◽  
Neck Circumference ◽  
Difficult Laryngoscopy ◽  
Gradient Boosting ◽  
Test Set ◽  
Equal Distribution ◽  
Light Gradient ◽  
Extreme Gradient Boosting

Abstract Background Predicting difficult airway is challengeable in patients with limited airway evaluation. The aim of this study is to develop and validate a model that predicts difficult laryngoscopy by machine learning of neck circumference and thyromental height as predictors that can be used even for patients with limited airway evaluation. Methods Variables for prediction of difficulty laryngoscopy included age, sex, height, weight, body mass index, neck circumference, and thyromental distance. Difficult laryngoscopy was defined as Grade 3 and 4 by the Cormack-Lehane classification. The preanesthesia and anesthesia data of 1677 patients who had undergone general anesthesia at a single center were collected. The data set was randomly stratified into a training set (80%) and a test set (20%), with equal distribution of difficulty laryngoscopy. The training data sets were trained with five algorithms (logistic regression, multilayer perceptron, random forest, extreme gradient boosting, and light gradient boosting machine). The prediction models were validated through a test set. Results The model’s performance using random forest was best (area under receiver operating characteristic curve = 0.79 [95% confidence interval: 0.72–0.86], area under precision-recall curve = 0.32 [95% confidence interval: 0.27–0.37]). Conclusions Machine learning can predict difficult laryngoscopy through a combination of several predictors including neck circumference and thyromental height. The performance of the model can be improved with more data, a new variable and combination of models.

Utilizing Data-Driven Models to Predict Brittleness in Tuscaloosa Marine Shale: A Machine Learning Approach

2021 ◽  
Author(s):  
Jamal Ahmadov
Keyword(s):  
Machine Learning ◽  
Random Forest ◽  
Brittleness Index ◽  
Estimation Methods ◽  
Gradient Boosting ◽  
Average Error ◽  
Support Vector ◽  
Marine Shale ◽  
Effective Manner ◽  
Selection Of

Abstract The Tuscaloosa Marine Shale (TMS) formation is a clay- and liquid-rich emerging shale play across central Louisiana and southwest Mississippi with recoverable resources of 1.5 billion barrels of oil and 4.6 trillion cubic feet of gas. The formation poses numerous challenges due to its high average clay content (50 wt%) and rapidly changing mineralogy, making the selection of fracturing candidates a difficult task. While brittleness plays an important role in screening potential intervals for hydraulic fracturing, typical brittleness estimation methods require the use of geomechanical and mineralogical properties from costly laboratory tests. Machine Learning (ML) can be employed to generate synthetic brittleness logs and therefore, may serve as an inexpensive and fast alternative to the current techniques. In this paper, we propose the use of machine learning to predict the brittleness index of Tuscaloosa Marine Shale from conventional well logs. We trained ML models on a dataset containing conventional and brittleness index logs from 8 wells. The latter were estimated either from geomechanical logs or log-derived mineralogy. Moreover, to ensure mechanical data reliability, dynamic-to-static conversion ratios were applied to Young's modulus and Poisson's ratio. The predictor features included neutron porosity, density and compressional slowness logs to account for the petrophysical and mineralogical character of TMS. The brittleness index was predicted using algorithms such as Linear, Ridge and Lasso Regression, K-Nearest Neighbors, Support Vector Machine (SVM), Decision Tree, Random Forest, AdaBoost and Gradient Boosting. Models were shortlisted based on the Root Mean Square Error (RMSE) value and fine-tuned using the Grid Search method with a specific set of hyperparameters for each model. Overall, Gradient Boosting and Random Forest outperformed other algorithms and showed an average error reduction of 5 %, a normalized RMSE of 0.06 and a R-squared value of 0.89. The Gradient Boosting was chosen to evaluate the test set and successfully predicted the brittleness index with a normalized RMSE of 0.07 and R-squared value of 0.83. This paper presents the practical use of machine learning to evaluate brittleness in a cost and time effective manner and can further provide valuable insights into the optimization of completion in TMS. The proposed ML model can be used as a tool for initial screening of fracturing candidates and selection of fracturing intervals in other clay-rich and heterogeneous shale formations.

mAHTPred: a sequence-based meta-predictor for improving the prediction of anti-hypertensive peptides using effective feature representation

2018 ◽  
Vol 35 (16) ◽  
pp. 2757-2765 ◽  
Author(s):  
Balachandran Manavalan ◽  
Shaherin Basith ◽  
Tae Hwan Shin ◽  
Leyi Wei ◽  
Gwang Lee
Keyword(s):  
Nearest Neighbor ◽  
Feature Representation ◽  
Superior Performance ◽  
Supplementary Information ◽  
Gradient Boosting ◽  
Support Vector ◽  
Pharmaceutical Drugs ◽  
K Nearest Neighbor ◽  
Feature Descriptors ◽  
Predicted Probability

AbstractMotivationCardiovascular disease is the primary cause of death globally accounting for approximately 17.7 million deaths per year. One of the stakes linked with cardiovascular diseases and other complications is hypertension. Naturally derived bioactive peptides with antihypertensive activities serve as promising alternatives to pharmaceutical drugs. So far, there is no comprehensive analysis, assessment of diverse features and implementation of various machine-learning (ML) algorithms applied for antihypertensive peptide (AHTP) model construction.ResultsIn this study, we utilized six different ML algorithms, namely, Adaboost, extremely randomized tree (ERT), gradient boosting (GB), k-nearest neighbor, random forest (RF) and support vector machine (SVM) using 51 feature descriptors derived from eight different feature encodings for the prediction of AHTPs. While ERT-based trained models performed consistently better than other algorithms regardless of various feature descriptors, we treated them as baseline predictors, whose predicted probability of AHTPs was further used as input features separately for four different ML-algorithms (ERT, GB, RF and SVM) and developed their corresponding meta-predictors using a two-step feature selection protocol. Subsequently, the integration of four meta-predictors through an ensemble learning approach improved the balanced prediction performance and model robustness on the independent dataset. Upon comparison with existing methods, mAHTPred showed superior performance with an overall improvement of approximately 6–7% in both benchmarking and independent datasets.Availability and implementationThe user-friendly online prediction tool, mAHTPred is freely accessible at http://thegleelab.org/mAHTPred.Supplementary informationSupplementary data are available at Bioinformatics online.

scholarly journals Learning from Imbalanced Educational Data Using Ensemble Machine Learning Algorithms

Webology ◽  
2021 ◽  
Vol 18 (Special Issue 01) ◽  
pp. 183-195
Author(s):  
Thingbaijam Lenin ◽  
N. Chandrasekaran
Keyword(s):  
Machine Learning ◽  
Random Forest ◽  
Missing Values ◽  
Machine Learning Techniques ◽  
Gradient Boosting ◽  
Adaptive Boosting ◽  
Stochastic Gradient Boosting ◽  
Ensemble Machine Learning ◽  
Learning Techniques ◽  
Student’S Performance

Student’s academic performance is one of the most important parameters for evaluating the standard of any institute. It has become a paramount importance for any institute to identify the student at risk of underperforming or failing or even drop out from the course. Machine Learning techniques may be used to develop a model for predicting student’s performance as early as at the time of admission. The task however is challenging as the educational data required to explore for modelling are usually imbalanced. We explore ensemble machine learning techniques namely bagging algorithm like random forest (rf) and boosting algorithms like adaptive boosting (adaboost), stochastic gradient boosting (gbm), extreme gradient boosting (xgbTree) in an attempt to develop a model for predicting the student’s performance of a private university at Meghalaya using three categories of data namely demographic, prior academic record, personality. The collected data are found to be highly imbalanced and also consists of missing values. We employ k-nearest neighbor (knn) data imputation technique to tackle the missing values. The models are developed on the imputed data with 10 fold cross validation technique and are evaluated using precision, specificity, recall, kappa metrics. As the data are imbalanced, we avoid using accuracy as the metrics of evaluating the model and instead use balanced accuracy and F-score. We compare the ensemble technique with single classifier C4.5. The best result is provided by random forest and adaboost with F-score of 66.67%, balanced accuracy of 75%, and accuracy of 96.94%.

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