scholarly journals Machine Learning Predicts Drug Metabolism and Bioaccumulation by Intestinal Microbiota

Pharmaceutics ◽  
2021 ◽  
Vol 13 (12) ◽  
pp. 2001
Author(s):  
Laura E. McCoubrey ◽  
Stavriani Thomaidou ◽  
Moe Elbadawi ◽  
Simon Gaisford ◽  
Mine Orlu ◽  
...  
Keyword(s):  
Machine Learning ◽  
Gut Microbiota ◽  
Performance Metrics ◽  
Literature Mining ◽  
Learning Models ◽  
Dosage Regimens ◽  
Machine Learning Model ◽  
True Number ◽  
Unique Composition ◽  
Industry Professionals

Over 150 drugs are currently recognised as being susceptible to metabolism or bioaccumulation (together described as depletion) by gastrointestinal microorganisms; however, the true number is likely higher. Microbial drug depletion is often variable between and within individuals, depending on their unique composition of gut microbiota. Such variability can lead to significant differences in pharmacokinetics, which may be associated with dosing difficulties and lack of medication response. In this study, literature mining and unsupervised learning were used to curate a dataset of 455 drug–microbiota interactions. From this, 11 supervised learning models were developed that could predict drugs’ susceptibility to depletion by gut microbiota. The best model, a tuned extremely randomised trees classifier, achieved performance metrics of AUROC: 75.1% ± 6.8; weighted recall: 79.2% ± 3.9; balanced accuracy: 69.0% ± 4.6; and weighted precision: 80.2% ± 3.7 when validated on 91 drugs. This machine learning model is the first of its kind and provides a rapid, reliable, and resource-friendly tool for researchers and industry professionals to screen drugs for susceptibility to depletion by gut microbiota. The recognition of drug–microbiome interactions can support successful drug development and promote better formulations and dosage regimens for patients.

Performance Metrics for the Comparative Analysis of Clinical Risk Prediction Models Employing Machine Learning

2021 ◽  
Author(s):  
Chenxi Huang ◽  
Shu-Xia Li ◽  
César Caraballo ◽  
Frederick A. Masoudi ◽  
John S. Rumsfeld ◽  
...  
Keyword(s):  
Machine Learning ◽  
Risk Prediction ◽  
Health Care Professionals ◽  
Clinical Decision Making ◽  
Performance Metrics ◽  
Prediction Models ◽  
Learning Models ◽  
Risk Prediction Models ◽  
Clinical Risk ◽  
Machine Learning Models

Background: New methods such as machine learning techniques have been increasingly used to enhance the performance of risk predictions for clinical decision-making. However, commonly reported performance metrics may not be sufficient to capture the advantages of these newly proposed models for their adoption by health care professionals to improve care. Machine learning models often improve risk estimation for certain subpopulations that may be missed by these metrics. Methods and Results: This article addresses the limitations of commonly reported metrics for performance comparison and proposes additional metrics. Our discussions cover metrics related to overall performance, discrimination, calibration, resolution, reclassification, and model implementation. Models for predicting acute kidney injury after percutaneous coronary intervention are used to illustrate the use of these metrics. Conclusions: We demonstrate that commonly reported metrics may not have sufficient sensitivity to identify improvement of machine learning models and propose the use of a comprehensive list of performance metrics for reporting and comparing clinical risk prediction models.

scholarly journals Comparison of machine learning models based on time domain and frequency domain features for faults diagnosis in rotating machines

2018 ◽  
Vol 211 ◽  
pp. 17009
Author(s):  
Natalia Espinoza Sepulveda ◽  
Jyoti Sinha
Keyword(s):  
Machine Learning ◽  
Frequency Domain ◽  
Time Domain ◽  
Intelligent Systems ◽  
Learning Models ◽  
Machine Vibration ◽  
Vibration Data ◽  
Machine Learning Model ◽  
The Time Domain ◽  
Machine Learning Models

The development of technologies for the maintenance industry has taken an important role to meet the demanding challenges. One of the important challenges is to predict the defects, if any, in machines as early as possible to manage the machines downtime. The vibration-based condition monitoring (VCM) is well-known for this purpose but requires the human experience and expertise. The machine learning models using the intelligent systems and pattern recognition seem to be the future avenue for machine fault detection without the human expertise. Several such studies are published in the literature. This paper is also on the machine learning model for the different machine faults classification and detection. Here the time domain and frequency domain features derived from the measured machine vibration data are used separated in the development of the machine learning models using the artificial neutral network method. The effectiveness of both the time and frequency domain features based models are compared when they are applied to an experimental rig. The paper presents the proposed machine learning models and their performance in terms of the observations and results.

scholarly journals Blue-collared Workers’ Travel Behavior Modeling using “exPlainable” Machine Learning Model: The Case of Qatar

2021 ◽  
Author(s):  
Aya Alkhereibi ◽  
Ali AbuZaid ◽  
Tadesse Wakjira
Keyword(s):  
Machine Learning ◽  
Travel Behavior ◽  
Total Population ◽  
Performance Metrics ◽  
Predictive Accuracy ◽  
Mode Choice ◽  
Behavior Modeling ◽  
Significant Feature ◽  
Machine Learning Model ◽  
Occupation Level

This paper presents a novel study on the examination of explainable machine learning (ML) technique to predict the mode choice for communities with a majority of blue-collared workers. A total of 4875 trip records for 1050 blue-collared workers have been used to predict their travel mode choices based on 11 trips and socio-economic attributes. The data used in this paper are obtained from the Ministry of Transportation and Communication (MoTC), which targeted blue-collared workers as they represent 89% of the total population in the State of Qatar. A total of four ML models are evaluated to propose the best predictive model. The four models were examined using different performance metrics. The models’ prediction results showed that the random forest (RF) model had the highest accuracy with a predictive accuracy of 0.97. Moreover, SHapley Additive exPlanation (SHAP) approach is used to investigate the significance of the input features and explain the output of the RF model. The results of SHAP analysis revealed that occupation level is the most significant feature that influences the mode choice followed by occupation section, arrival time, and arrival municipality.

scholarly journals Automated Retraining of Machine Learning Models

2019 ◽  
Vol 8 (12) ◽  
pp. 445-452
Keyword(s):  
Machine Learning ◽  
Input Data ◽  
Research Work ◽  
Learning Models ◽  
Machine Learning Methods ◽  
Machine Learning Model ◽  
Crucial Component ◽  
Conventional Machine ◽  
Over Time ◽  
Machine Learning Models

Data is the most crucial component of a successful ML system. Once a machine learning model is developed, it gets obsolete over time due to presence of new input data being generated every second. In order to keep our predictions accurate we need to find a way to keep our models up to date. Our research work involves finding a mechanism which can retrain the model with new data automatically. This research also involves exploring the possibilities of automating machine learning processes. We started this project by training and testing our model using conventional machine learning methods. The outcome was then compared with the outcome of those experiments conducted using the AutoML methods like TPOT. This helped us in finding an efficient technique to retrain our models. These techniques can be used in areas where people do not deal with the actual working of a ML model but only require the outputs of ML processes

Improving Logging Prediction on Imbalanced Datasets

2016 ◽  
Vol 7 (2) ◽  
pp. 43-71 ◽  
Author(s):  
Sangeeta Lal ◽  
Neetu Sardana ◽  
Ashish Sureka
Keyword(s):  
Machine Learning ◽  
Open Source ◽  
Class Imbalance ◽  
Learning Model ◽  
Learning Models ◽  
Class Imbalance Problem ◽  
Imbalanced Datasets ◽  
Imbalance Problem ◽  
Machine Learning Model ◽  
Machine Learning Models

Logging is an important yet tough decision for OSS developers. Machine-learning models are useful in improving several steps of OSS development, including logging. Several recent studies propose machine-learning models to predict logged code construct. The prediction performances of these models are limited due to the class-imbalance problem since the number of logged code constructs is small as compared to non-logged code constructs. No previous study analyzes the class-imbalance problem for logged code construct prediction. The authors first analyze the performances of J48, RF, and SVM classifiers for catch-blocks and if-blocks logged code constructs prediction on imbalanced datasets. Second, the authors propose LogIm, an ensemble and threshold-based machine-learning model. Third, the authors evaluate the performance of LogIm on three open-source projects. On average, LogIm model improves the performance of baseline classifiers, J48, RF, and SVM, by 7.38%, 9.24%, and 4.6% for catch-blocks, and 12.11%, 14.95%, and 19.13% for if-blocks logging prediction.

scholarly journals Combine Clustering and Machine Learning for Enhancing the Efficiency of Energy Baseline of Chiller System

Energies ◽  
2020 ◽  
Vol 13 (17) ◽  
pp. 4368 ◽  
Author(s):  
Chun-Wei Chen ◽  
Chun-Chang Li ◽  
Chen-Yu Lin
Keyword(s):  
Machine Learning ◽  
Prediction Accuracy ◽  
Prediction Models ◽  
Machine Learning Algorithms ◽  
Learning Models ◽  
Important Method ◽  
Gap Statistic ◽  
Machine Learning Model ◽  
Key Variables

Energy baseline is an important method for measuring the energy-saving benefits of chiller system, and the benefits can be calculated by comparing prediction models and actual results. Currently, machine learning is often adopted as a prediction model for energy baselines. Common models include regression, ensemble learning, and deep learning models. In this study, we first reviewed several machine learning algorithms, which were used to establish prediction models. Then, the concept of clustering to preprocess chiller data was adopted. Data mining, K-means clustering, and gap statistic were used to successfully identify the critical variables to cluster chiller modes. Applying these key variables effectively enhanced the quality of the chiller data, and combining the clustering results and the machine learning model effectively improved the prediction accuracy of the model and the reliability of the energy baselines.

scholarly journals Hierarchical Fusion of Machine Learning Algorithms in Indoor Positioning and Localization

2019 ◽  
Vol 9 (18) ◽  
pp. 3665 ◽  
Author(s):  
Ahmet Çağdaş Seçkin ◽  
Aysun Coşkun
Keyword(s):  
Machine Learning ◽  
Performance Metrics ◽  
Deductive Reasoning ◽  
Real Life ◽  
Indoor Positioning ◽  
Machine Learning Algorithms ◽  
Learning Models ◽  
Positioning Systems ◽  
Common Solution ◽  
Variable Reduction

Wi-Fi-based indoor positioning offers significant opportunities for numerous applications. Examining the Wi-Fi positioning systems, it was observed that hundreds of variables were used even when variable reduction was applied. This reveals a structure that is difficult to repeat and is far from producing a common solution for real-life applications. It aims to create a common and standardized dataset for indoor positioning and localization and present a system that can perform estimations using this dataset. To that end, machine learning (ML) methods are compared and the results of successful methods with hierarchical inclusion are then investigated. Further, new features are generated according to the measurement point obtained from the dataset. Subsequently, learning models are selected according to the performance metrics for the estimation of location and position. These learning models are then fused hierarchically using deductive reasoning. Using the proposed method, estimation of location and position has proved to be more successful by using fewer variables than the current studies. This paper, thus, identifies a lack of applicability present in the research community and solves it using the proposed method. It suggests that the proposed method results in a significant improvement for the estimation of floor and longitude.

GPT-3 AI language tool calls for cautious optimism

2020 ◽  
Keyword(s):  
Machine Learning ◽  
Public Funding ◽  
Computational Effort ◽  
Learning Models ◽  
Content Type ◽  
Business Applications ◽  
Machine Learning Model ◽  
Explainable Ai ◽  
Advance Research ◽  
Machine Learning Models

Significance It required arguably the single largest computational effort for a machine learning model to date, and is it capable of producing text at times indistinguishable from the work of a human author. This has generated considerable excitement about potentially transformative business applications -- and concerns about the system's weaknesses and possible misuse. Impacts Stereotypes and biases in machine learning models will become increasingly problematic as they are adopted by businesses and governments. The use of flawed AI tools that result in embarrassing failures risk cuts to public funding for AI research. Academia and industry face pressure to advance research into explainable AI, but progress is slow.

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