Feature importance correlation from machine learning indicates functional relationships between proteins and similar compound binding characteristics.
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ABSTRACT:
SUBMITTER: Rodriguez-Perez R
PROVIDER: S-EPMC8270985 | biostudies-literature |
REPOSITORIES: biostudies-literature
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Project description:The adaptive immune response to vaccination or infection can lead to the production of specific antibodies to neutralize the pathogen or recruit innate immune effector cells for help. The non-neutralizing role of antibodies in stimulating effector cell responses may have been a key mechanism of the protection observed in the RV144 HIV vaccine trial. In an extensive investigation of a rich set of data collected from RV144 vaccine recipients, we here employ machine learning methods to identify and model associations between antibody features (IgG subclass and antigen specificity) and effector function activities (antibody dependent cellular phagocytosis, cellular cytotoxicity, and cytokine release). We demonstrate via cross-validation that classification and regression approaches can effectively use the antibody features to robustly predict qualitative and quantitative functional outcomes. This integration of antibody feature and function data within a machine learning framework provides a new, objective approach to discovering and assessing multivariate immune correlates.
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Project description:BackgroundDepression is a prevalent mental health challenge. Current depression assessment methods using self-reported and clinician-administered questionnaires have limitations. Instrumenting smartphones to passively and continuously collect moment-by-moment data sets to quantify human behaviors has the potential to augment current depression assessment methods for early diagnosis, scalable, and longitudinal monitoring of depression.ObjectiveThe objective of this study was to investigate the feasibility of predicting depression with human behaviors quantified from smartphone data sets, and to identify behaviors that can influence depression.MethodsSmartphone data sets and self-reported 8-item Patient Health Questionnaire (PHQ-8) depression assessments were collected from 629 participants in an exploratory longitudinal study over an average of 22.1 days (SD 17.90; range 8-86). We quantified 22 regularity, entropy, and SD behavioral markers from the smartphone data. We explored the relationship between the behavioral features and depression using correlation and bivariate linear mixed models (LMMs). We leveraged 5 supervised machine learning (ML) algorithms with hyperparameter optimization, nested cross-validation, and imbalanced data handling to predict depression. Finally, with the permutation importance method, we identified influential behavioral markers in predicting depression.ResultsOf the 629 participants from at least 56 countries, 69 (10.97%) were females, 546 (86.8%) were males, and 14 (2.2%) were nonbinary. Participants' age distribution is as follows: 73/629 (11.6%) were aged between 18 and 24, 204/629 (32.4%) were aged between 25 and 34, 156/629 (24.8%) were aged between 35 and 44, 166/629 (26.4%) were aged between 45 and 64, and 30/629 (4.8%) were aged 65 years and over. Of the 1374 PHQ-8 assessments, 1143 (83.19%) responses were nondepressed scores (PHQ-8 score <10), while 231 (16.81%) were depressed scores (PHQ-8 score ≥10), as identified based on PHQ-8 cut-off. A significant positive Pearson correlation was found between screen status-normalized entropy and depression (r=0.14, P<.001). LMM demonstrates an intraclass correlation of 0.7584 and a significant positive association between screen status-normalized entropy and depression (β=.48, P=.03). The best ML algorithms achieved the following metrics: precision, 85.55%-92.51%; recall, 92.19%-95.56%; F1, 88.73%-94.00%; area under the curve receiver operating characteristic, 94.69%-99.06%; Cohen κ, 86.61%-92.90%; and accuracy, 96.44%-98.14%. Including age group and gender as predictors improved the ML performances. Screen and internet connectivity features were the most influential in predicting depression.ConclusionsOur findings demonstrate that behavioral markers indicative of depression can be unobtrusively identified from smartphone sensors' data. Traditional assessment of depression can be augmented with behavioral markers from smartphones for depression diagnosis and monitoring.
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Project description:A new methodology, imputation by feature importance (IBFI), is studied that can be applied to any machine learning method to efficiently fill in any missing or irregularly sampled data. It applies to data missing completely at random (MCAR), missing not at random (MNAR), and missing at random (MAR). IBFI utilizes the feature importance and iteratively imputes missing values using any base learning algorithm. For this work, IBFI is tested on soil radon gas concentration (SRGC) data. XGBoost is used as the learning algorithm and missing data are simulated using R for different missingness scenarios. IBFI is based on the physically meaningful assumption that SRGC depends upon environmental parameters such as temperature and relative humidity. This assumption leads to a model obtained from the complete multivariate series where the controls are available by taking the attribute of interest as a response variable. IBFI is tested against other frequently used imputation methods, namely mean, median, mode, predictive mean matching (PMM), and hot-deck procedures. The performance of the different imputation methods was assessed using root mean squared error (RMSE), mean squared log error (MSLE), mean absolute percentage error (MAPE), percent bias (PB), and mean squared error (MSE) statistics. The imputation process requires more attention when multiple variables are missing in different samples, resulting in challenges to machine learning methods because some controls are missing. IBFI appears to have an advantage in such circumstances. For testing IBFI, Radon Time Series Data (RTS) has been used and data was collected from 1st March 2017 to the 11th of May 2018, including 4 seismic activities that have taken place during the data collection time.
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Project description:Screening of compound libraries against panels of targets yields profiling matrices. Such matrices typically contain structurally diverse screening compounds, large numbers of inactives, and small numbers of hits per assay. As such, they represent interesting and challenging test cases for computational screening and activity predictions. In this work, modeling of large compound profiling matrices was attempted that were extracted from publicly available screening data. Different machine learning methods including deep learning were compared and different prediction strategies explored. Prediction accuracy varied for assays with different numbers of active compounds, and alternative machine learning approaches often produced comparable results. Deep learning did not further increase the prediction accuracy of standard methods such as random forests or support vector machines. Target-based random forest models were prioritized and yielded successful predictions of active compounds for many assays.
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Project description:In a regression setting, it is often of interest to quantify the importance of various features in predicting the response. Commonly, the variable importance measure used is determined by the regression technique employed. For this reason, practitioners often only resort to one of a few regression techniques for which a variable importance measure is naturally defined. Unfortunately, these regression techniques are often suboptimal for predicting the response. Additionally, because the variable importance measures native to different regression techniques generally have a different interpretation, comparisons across techniques can be difficult. In this work, we study a variable importance measure that can be used with any regression technique, and whose interpretation is agnostic to the technique used. This measure is a property of the true data-generating mechanism. Specifically, we discuss a generalization of the analysis of variance variable importance measure and discuss how it facilitates the use of machine learning techniques to flexibly estimate the variable importance of a single feature or group of features. The importance of each feature or group of features in the data can then be described individually, using this measure. We describe how to construct an efficient estimator of this measure as well as a valid confidence interval. Through simulations, we show that our proposal has good practical operating characteristics, and we illustrate its use with data from a study of risk factors for cardiovascular disease in South Africa.
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Project description:As a systematic investigation of the correlations between physical examination indicators (PEIs) is lacking, most PEIs are currently independently used for disease warning. This results in the general physical examination having limited diagnostic values. Here, we systematically analyzed the correlations in 221 PEIs between healthy and 34 unhealthy statuses in 803,614 individuals in China. Specifically, the study population included 711,928 healthy participants, 51,341 patients with hypertension, 12,878 patients with diabetes, and 34,997 patients with other unhealthy statuses. We found rich relevance between PEIs in the healthy physical status (7662 significant correlations, 31.5%). However, in the disease conditions, the PEI correlations changed. We focused on the difference in PEIs between healthy and 35 unhealthy physical statuses and found 1239 significant PEI differences, suggesting that they could be candidate disease markers. Finally, we established machine learning algorithms to predict health status using 15-16% of the PEIs through feature extraction, reaching a 66-99% accurate prediction, depending on the physical status. This new reference of the PEI correlation provides rich information for chronic disease diagnosis. The developed machine learning algorithms can fundamentally affect the practice of general physical examinations.
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Project description:This article aims to discusses machine learning modelling using a dataset provided by the LANL (Los Alamos National Laboratory) earthquake prediction competition hosted by Kaggle. The data were obtained from a laboratory stick-slip friction experiment that mimics real earthquakes. Digitized acoustic signals were recorded against time to failure of a granular layer compressed between steel plates. In this work, machine learning was employed to develop models that could predict earthquakes. The aim is to highlight the importance and potential applicability of machine learning in seismology The XGBoost algorithm was used for modelling combined with 6-fold cross-validation and the mean absolute error (MAE) metric for model quality estimation. The backward feature elimination technique was used followed by the forward feature construction approach to find the best combination of features. The advantage of this feature engineering method is that it enables the best subset to be found from a relatively large set of features in a relatively short time. It was confirmed that the proper combination of statistical characteristics describing acoustic data can be used for effective prediction of time to failure. Additionally, statistical features based on the autocorrelation of acoustic data can also be used for further improvement of model quality. A total of 48 statistical features were considered. The best subset was determined as having 10 features. Its corresponding MAE was 1.913 s, which was stable to the third decimal point. The presented results can be used to develop artificial intelligence algorithms devoted to earthquake prediction.
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Project description:Hyperspectral image (HSI) consists of hundreds of narrow spectral band components with rich spectral and spatial information. Extreme Learning Machine (ELM) has been widely used for HSI analysis. However, the classical ELM is difficult to use for sparse feature leaning due to its randomly generated hidden layer. In this paper, we propose a novel unsupervised sparse feature learning approach, called Evolutionary Multiobjective-based ELM (EMO-ELM), and apply it to HSI feature extraction. Specifically, we represent the task of constructing the ELM Autoencoder (ELM-AE) as a multiobjective optimization problem that takes the sparsity of hidden layer outputs and the reconstruction error as two conflicting objectives. Then, we adopt an Evolutionary Multiobjective Optimization (EMO) method to solve the two objectives, simultaneously. To find the best solution from the Pareto solution set and construct the best trade-off feature extractor, a curvature-based method is proposed to focus on the knee area of the Pareto solutions. Benefited from the EMO, the proposed EMO-ELM is less prone to fall into a local minimum and has fewer trainable parameters than gradient-based AEs. Experiments on two real HSIs demonstrate that the features learned by EMO-ELM not only preserve better sparsity but also achieve superior separability than many existing feature learning methods.
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Project description:BackgroundAsthma attacks are a major cause of morbidity and mortality in vulnerable populations, and identification of associations with asthma attacks is necessary to improve public awareness and the timely delivery of medical interventions.ObjectiveThe study aimed to identify feature importance of factors associated with asthma in a representative population of US adults.MethodsA cross-sectional analysis was conducted using a modern, nationally representative cohort, the National Health and Nutrition Examination Surveys (NHANES 2017-2020). All adult patients greater than 18 years of age (total of 7,922 individuals) with information on asthma attacks were included in the study. Univariable regression was used to identify significant nutritional covariates to be included in a machine learning model and feature importance was reported. The acquisition and analysis of the data were authorized by the National Center for Health Statistics Ethics Review Board.Results7,922 patients met the inclusion criteria in this study. The machine learning model had 55 out of a total of 680 features that were found to be significant on univariate analysis (P<0.0001 used). In the XGBoost model the model had an Area Under the Receiver Operator Characteristic Curve (AUROC) = 0.737, Sensitivity = 0.960, NPV = 0.967. The top five highest ranked features by gain, a measure of the percentage contribution of the covariate to the overall model prediction, were Octanoic Acid intake as a Saturated Fatty Acid (SFA) (gm) (Gain = 8.8%), Eosinophil percent (Gain = 7.9%), BMXHIP-Hip Circumference (cm) (Gain = 7.2%), BMXHT-standing height (cm) (Gain = 6.2%) and HS C-Reactive Protein (mg/L) (Gain 6.1%).ConclusionMachine Learning models can additionally offer feature importance and additional statistics to help identify associations with asthma attacks.
| S-EPMC10664888 | biostudies-literature
Project description:Identification of novel photosynthetic proteins is important for understanding and improving photosynthetic efficiency. Synergistically, genome neighborhood can provide additional useful information to identify photosynthetic proteins. We, therefore, expected that applying a computational approach, particularly machine learning (ML) with the genome neighborhood-based feature should facilitate the photosynthetic function assignment. Our results revealed a functional relationship between photosynthetic genes and their conserved neighboring genes observed by 'Phylo score', indicating their functions could be inferred from the genome neighborhood profile. Therefore, we created a new method for extracting patterns based on the genome neighborhood network (GNN) and applied them for the photosynthetic protein classification using ML algorithms. Random forest (RF) classifier using genome neighborhood-based features achieved the highest accuracy up to 87% in the classification of photosynthetic proteins and also showed better performance (Mathew's correlation coefficient = 0.718) than other available tools including the sequence similarity search (0.447) and ML-based method (0.361). Furthermore, we demonstrated the ability of our model to identify novel photosynthetic proteins compared to the other methods. Our classifier is available at http://bicep2.kmutt.ac.th/photomod_standalone, https://bit.ly/2S0I2Ox and DockerHub: https://hub.docker.com/r/asangphukieo/photomod.
| S-EPMC7189237 | biostudies-literature