Dataset Information

Classification of the urinary metabolome using machine learning and potential applications to diagnosing interstitial cystitis.

ABSTRACT: With the advent of artificial intelligence (AI) in biostatistical analysis and modeling, machine learning can potentially be applied into developing diagnostic models for interstitial cystitis (IC). In the current clinical setting, urologists are dependent on cystoscopy and questionnaire-based decisions to diagnose IC. This is a result of a lack of objective diagnostic molecular biomarkers. The purpose of this study was to develop a machine learning-based method for diagnosing IC and assess its performance using metabolomics profiles obtained from a prior study. To develop the machine learning algorithm, two classification methods, support vector machine (SVM) and logistic regression (LR), set at various parameters, were applied to 43 IC patients and 16 healthy controls. There were 3 measures used in this study, accuracy, precision (positive predictive value), and recall (sensitivity). Individual precision and recall (PR) curves were drafted. Since the sample size was relatively small, complicated deep learning could not be done. We achieved a 76%-86% accuracy with leave-one-out cross validation depending on the method and parameters set. The highest accuracy achieved was 86.4% using SVM with a polynomial kernel degree set to 5, but a larger area under the curve (AUC) from the PR curve was achieved using LR with a l 1-norm regularizer. The AUC was greater than 0.9 in its ability to discriminate IC patients from controls, suggesting that the algorithm works well in identifying IC, even when there is a class distribution imbalance between the IC and control samples. This finding provides further insight into utilizing previously identified urinary metabolic biomarkers in developing machine learning algorithms that can be applied in the clinical setting.

SUBMITTER: Tong F

PROVIDER: S-EPMC7401992 | biostudies-literature | 2020

REPOSITORIES: biostudies-literature

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Classification of the urinary metabolome using machine learning and potential applications to diagnosing interstitial cystitis.

Tong Feng F Shahid Muhammad M Jin Peng P Jung Sungyong S Kim Won Hwa WH Kim Jayoung J

Bladder (San Francisco, Calif.) 20200602 2

With the advent of artificial intelligence (AI) in biostatistical analysis and modeling, machine learning can potentially be applied into developing diagnostic models for interstitial cystitis (IC). In the current clinical setting, urologists are dependent on cystoscopy and questionnaire-based decisions to diagnose IC. This is a result of a lack of objective diagnostic molecular biomarkers. The purpose of this study was to develop a machine learning-based method for diagnosing IC and assess its ...[more]

PMID: 32775485

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Project description:MotivationThe measurement of disease biomarkers in easily-obtained bodily fluids has opened the door to a new type of non-invasive medical diagnostics. New technologies are being developed and fine-tuned in order to make this possibility a reality. One such technology is Field Asymmetric Ion Mobility Spectrometry (FAIMS), which allows the measurement of volatile organic compounds (VOCs) in biological samples such as urine. These VOCs are known to contain a range of information on the relevant person's metabolism and can in principle be used for disease diagnostic purposes. Key to the effective use of such data are well-developed data processing pipelines, which are necessary to extract the most useful data from the complex underlying biological structure.ResultsIn this study, we present a new data analysis pipeline for FAIMS data, and demonstrate a number of improvements over previously used methods. We evaluate the effect of a series of candidate operational steps during data processing, such as the use of wavelet transforms, principal component analysis (PCA), and classifier ensembles. We also demonstrate the use of FAIMS data in our pipeline to diagnose diabetes on the basis of a simple urine sample using machine learning classifiers. We present results for data generated from a case-control study of 115 urine samples, collected from 72 type II diabetic patients, with 43 healthy volunteers as negative controls. The resulting pipeline combines the steps that resulted in the best classification model performance. These include the use of a two-dimensional discrete wavelet transform, and the Wilcoxon rank-sum test for feature selection. We are able to achieve a best ROC curve AUC of 0.825 (0.747-0.9, 95% CI) for classification of diabetes vs control. We also note that this result is robust to changes in the data pipeline and different analysis runs, with AUC > 0.80 achieved in a range of cases. This is a substantial improvement in performance over previously used data processing methods in this area. Our ability to make strong statements about FAIMS ability to diagnose diabetes is sadly limited, as we found confounding effects from the demographics when including these data in the pipeline. The demographics alone produced a best AUC of 0.87 (0.795-0.94, 95% CI). While the combination of the demographics and FAIMS data resulted in an improvement on the AUC (0.907; 0.848-0.97, 95% CI), it did not prove to be a significant difference. Nevertheless, the pipeline itself shows a significant improvement in performance over more basic methods which have been used with FAIMS data in the past.

Dataset Information

Classification of the urinary metabolome using machine learning and potential applications to diagnosing interstitial cystitis.

Publications

Classification of the urinary metabolome using machine learning and potential applications to diagnosing interstitial cystitis.

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