HY-POP: Hyperparameter optimization of machine learning models through parametric programming

2020 ◽  
Vol 139 ◽  
pp. 106902 ◽  
Author(s):  
William W. Tso ◽  
Baris Burnak ◽  
Efstratios N. Pistikopoulos
Minerals ◽  
2021 ◽  
Vol 11 (2) ◽  
pp. 159
Author(s):  
Nan Lin ◽  
Yongliang Chen ◽  
Haiqi Liu ◽  
Hanlin Liu

Selecting internal hyperparameters, which can be set by the automatic search algorithm, is important to improve the generalization performance of machine learning models. In this study, the geological, remote sensing and geochemical data of the Lalingzaohuo area in Qinghai province were researched. A multi-source metallogenic information spatial data set was constructed by calculating the Youden index for selecting potential evidence layers. The model for mapping mineral prospectivity of the study area was established by combining two swarm intelligence optimization algorithms, namely the bat algorithm (BA) and the firefly algorithm (FA), with different machine learning models. The receiver operating characteristic (ROC) and prediction-area (P-A) curves were used for performance evaluation and showed that the two algorithms had an obvious optimization effect. The BA and FA differentiated in improving multilayer perceptron (MLP), AdaBoost and one-class support vector machine (OCSVM) models; thus, there was no optimization algorithm that was consistently superior to the other. However, the accuracy of the machine learning models was significantly enhanced after optimizing the hyperparameters. The area under curve (AUC) values of the ROC curve of the optimized machine learning models were all higher than 0.8, indicating that the hyperparameter optimization calculation was effective. In terms of individual model improvement, the accuracy of the FA-AdaBoost model was improved the most significantly, with the AUC value increasing from 0.8173 to 0.9597 and the prediction/area (P/A) value increasing from 3.156 to 10.765, where the mineral targets predicted by the model occupied 8.63% of the study area and contained 92.86% of the known mineral deposits. The targets predicted by the improved machine learning models are consistent with the metallogenic geological characteristics, indicating that the swarm intelligence optimization algorithm combined with the machine learning model is an efficient method for mineral prospectivity mapping.


2022 ◽  
Vol 8 ◽  
Author(s):  
Boshen Yang ◽  
Sixuan Xu ◽  
Di Wang ◽  
Yu Chen ◽  
Zhenfa Zhou ◽  
...  

Background: Hypertension is a rather common comorbidity among critically ill patients and hospital mortality might be higher among critically ill patients with hypertension (SBP ≥ 140 mmHg and/or DBP ≥ 90 mmHg). This study aimed to explore the association between ACEI/ARB medication during ICU stay and all-cause in-hospital mortality in these patients.Methods: A retrospective cohort study was conducted based on data from Medical Information Mart for Intensive Care IV (MIMIC-IV) database, which consisted of more than 40,000 patients in ICU between 2008 and 2019 at Beth Israel Deaconess Medical Center. Adults diagnosed with hypertension on admission and those had high blood pressure (SBP ≥ 140 mmHg and/or DBP ≥ 90 mmHg) during ICU stay were included. The primary outcome was all-cause in-hospital mortality. Patients were divided into ACEI/ARB treated and non-treated group during ICU stay. Propensity score matching (PSM) was used to adjust potential confounders. Nine machine learning models were developed and validated based on 37 clinical and laboratory features of all patients. The model with the best performance was selected based on area under the receiver operating characteristic curve (AUC) followed by 5-fold cross-validation. After hyperparameter optimization using Grid and random hyperparameter search, a final LightGBM model was developed, and Shapley Additive exPlanations (SHAP) values were calculated to evaluate feature importance of each feature. The features closely associated with hospital mortality were presented as significant features.Results: A total of 15,352 patients were enrolled in this study, among whom 5,193 (33.8%) patients were treated with ACEI/ARB. A significantly lower all-cause in-hospital mortality was observed among patients treated with ACEI/ARB (3.9 vs. 12.7%) as well as a lower 28-day mortality (3.6 vs. 12.2%). The outcome remained consistent after propensity score matching. Among nine machine learning models, the LightGBM model had the highest AUC = 0.9935. The SHAP plot was employed to make the model interpretable based on LightGBM model after hyperparameter optimization, showing that ACEI/ARB use was among the top five significant features, which were associated with hospital mortality.Conclusions: The use of ACEI/ARB in critically ill patients with hypertension during ICU stay is related to lower all-cause in-hospital mortality, which was independently associated with increased survival in a large and heterogeneous cohort of critically ill hypertensive patients with or without kidney dysfunction.


2021 ◽  
Vol 1 (1) ◽  
Author(s):  
Sanvitha Kasthuriarachchi ◽  
S. R. Liyanage

A combination of different machine learning models to form a super learner can definitely lead to improved predictions in any domain. The super learner ensemble discussed in this study collates several machine learning models and proposes to enhance the performance by considering the final meta- model accuracy and the prediction duration. An algorithm is proposed to rate the machine learning models derived by combining the base classifiers voted with different weights. The proposed algorithm is named as Log Loss Weighted Super Learner Model (LLWSL). Based on the voted weight, the optimal model is selected and the machine learning method derived is identified. The meta- learner of the super learner uses them by tuning their hyperparameters. The execution time and the model accuracies were evaluated using two separate datasets inside LMSSLIITD extracted from the educational industry by executing the LLWSL algorithm. According to the outcome of the evaluation process, it has been noticed that there exists a significant improvement in the proposed algorithm LLWSL for use in machine learning tasks for the achievement of better performances.


2020 ◽  
Vol 2 (1) ◽  
pp. 3-6
Author(s):  
Eric Holloway

Imagination Sampling is the usage of a person as an oracle for generating or improving machine learning models. Previous work demonstrated a general system for using Imagination Sampling for obtaining multibox models. Here, the possibility of importing such models as the starting point for further automatic enhancement is explored.


2021 ◽  
Author(s):  
Norberto Sánchez-Cruz ◽  
Jose L. Medina-Franco

<p>Epigenetic targets are a significant focus for drug discovery research, as demonstrated by the eight approved epigenetic drugs for treatment of cancer and the increasing availability of chemogenomic data related to epigenetics. This data represents a large amount of structure-activity relationships that has not been exploited thus far for the development of predictive models to support medicinal chemistry efforts. Herein, we report the first large-scale study of 26318 compounds with a quantitative measure of biological activity for 55 protein targets with epigenetic activity. Through a systematic comparison of machine learning models trained on molecular fingerprints of different design, we built predictive models with high accuracy for the epigenetic target profiling of small molecules. The models were thoroughly validated showing mean precisions up to 0.952 for the epigenetic target prediction task. Our results indicate that the herein reported models have considerable potential to identify small molecules with epigenetic activity. Therefore, our results were implemented as freely accessible and easy-to-use web application.</p>


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