Tropical principal component analysis on the space of phylogenetic trees

2020 ◽  
Vol 36 (17) ◽  
pp. 4590-4598
Author(s):  
Robert Page ◽  
Ruriko Yoshida ◽  
Leon Zhang
Keyword(s):  
Machine Learning ◽  
Principal Component Analysis ◽  
Phylogenetic Trees ◽  
Principal Component ◽  
Component Analysis ◽  
Fixed Number ◽  
Supplementary Information ◽  
Gene Trees ◽  
Learning Methods ◽  
Machine Learning Methods

Abstract Motivation Due to new technology for efficiently generating genome data, machine learning methods are urgently needed to analyze large sets of gene trees over the space of phylogenetic trees. However, the space of phylogenetic trees is not Euclidean, so ordinary machine learning methods cannot be directly applied. In 2019, Yoshida et al. introduced the notion of tropical principal component analysis (PCA), a statistical method for visualization and dimensionality reduction using a tropical polytope with a fixed number of vertices that minimizes the sum of tropical distances between each data point and its tropical projection. However, their work focused on the tropical projective space rather than the space of phylogenetic trees. We focus here on tropical PCA for dimension reduction and visualization over the space of phylogenetic trees. Results Our main results are 2-fold: (i) theoretical interpretations of the tropical principal components over the space of phylogenetic trees, namely, the existence of a tropical cell decomposition into regions of fixed tree topology; and (ii) the development of a stochastic optimization method to estimate tropical PCs over the space of phylogenetic trees using a Markov Chain Monte Carlo approach. This method performs well with simulation studies, and it is applied to three empirical datasets: Apicomplexa and African coelacanth genomes as well as sequences of hemagglutinin for influenza from New York. Availability and implementation Dataset: http://polytopes.net/Data.tar.gz. Code: http://polytopes.net/tropica_MCMC_codes.tar.gz. Supplementary information Supplementary data are available at Bioinformatics online.

scholarly journals Metagenomic Sequencing Analysis for Acne Using Machine Learning Methods Adapted to Single or Multiple Data

2021 ◽  
Vol 2021 ◽  
pp. 1-11
Author(s):  
Yu Wang ◽  
Mengru Sun ◽  
Yifan Duan
Keyword(s):  
Machine Learning ◽  
Principal Component Analysis ◽  
Principal Component ◽  
Component Analysis ◽  
Metagenomic Sequencing ◽  
Sequencing Data ◽  
Learning Methods ◽  
Machine Learning Methods ◽  
Three Samples ◽  
The Face

The human health status can be assessed by the means of research and analysis of the human microbiome. Acne is a common skin disease whose morbidity increases year by year. The lipids which influence acne to a large extent are studied by metagenomic methods in recent years. In this paper, machine learning methods are used to analyze metagenomic sequencing data of acne, i.e., all kinds of lipids in the face skin. Firstly, lipids data of the diseased skin (DS) samples and the healthy skin (HS) samples of acne patients and the normal control (NC) samples of healthy person are, respectively, analyzed by using principal component analysis (PCA) and kernel principal component analysis (KPCA). Then, the lipids which have main influence on each kind of sample are obtained. In addition, a multiset canonical correlation analysis (MCCA) is utilized to get lipids which can differentiate the face skins of the above three samples. The experimental results show the machine learning methods can effectively analyze metagenomic sequencing data of acne. According to the results, lipids which only influence one of the three samples or the lipids which simultaneously have different degree of influence on these three samples can be used as indicators to judge skin statuses.

Identifying Explosive Epidemiological Cases with Unsupervised Machine Learning (Preprint)

2020 ◽  
Author(s):  
Serge Dolgikh
Keyword(s):  
Machine Learning ◽  
Principal Component Analysis ◽  
Dimensionality Reduction ◽  
Local Time ◽  
Principal Component ◽  
Learning Methods ◽  
Unsupervised Machine Learning ◽  
Modeling Tool ◽  
Machine Learning Methods ◽  
Preventative Measures

UNSTRUCTURED An analysis of a combined dataset of Wave 1 and 2 cases, aligned at approximately Local Time Zero + 2 months with unsupervised machine learning methods such as Principal Component Analysis and deep autoencoder dimensionality reduction allows to clearly separate milder background cases from those with more rapid and aggressive onset of the epidemics. The analysis and findings of the study can be used in evaluation of possible epidemiological scenarios and as an effective modeling tool to design corrective and preventative measures to avoid developments with potentially heavy impact.

Classification of Observations through Combination of the Dimension Reduction and the Cluster Analysis

2017 ◽  
Vol 7 (8) ◽  
pp. 30
Author(s):  
Hyeuk Kim
Keyword(s):  
Machine Learning ◽  
Principal Component Analysis ◽  
Cluster Analysis ◽  
Unsupervised Learning ◽  
Principal Component ◽  
Component Analysis ◽  
Baseball Players ◽  
Partitioning Around Medoids ◽  
Different Characteristics

Unsupervised learning in machine learning divides data into several groups. The observations in the same group have similar characteristics and the observations in the different groups have the different characteristics. In the paper, we classify data by partitioning around medoids which have some advantages over the k-means clustering. We apply it to baseball players in Korea Baseball League. We also apply the principal component analysis to data and draw the graph using two components for axis. We interpret the meaning of the clustering graphically through the procedure. The combination of the partitioning around medoids and the principal component analysis can be used to any other data and the approach makes us to figure out the characteristics easily.

Analysis of the Bath Motion in the MM-SQC Dynamics Using Unsupervised Machine Learning Dimensionality Reduction Approaches: Principal Component Analysis

2020 ◽  
Author(s):  
Jiawei Peng ◽  
Yu Xie ◽  
Deping Hu ◽  
Zhenggang Lan
Keyword(s):  
Machine Learning ◽  
Principal Component Analysis ◽  
Collective Motion ◽  
Principal Component ◽  
Component Analysis ◽  
Nonadiabatic Dynamics ◽  
Trajectory Data ◽  
Unsupervised Machine Learning ◽  
Physical Knowledge ◽  
Vibronic Couplings

The system-plus-bath model is an important tool to understand nonadiabatic dynamics for large molecular systems. The understanding of the collective motion of a huge number of bath modes is essential to reveal their key roles in the overall dynamics. We apply the principal component analysis (PCA) to investigate the bath motion based on the massive data generated from the MM-SQC (symmetrical quasi-classical dynamics method based on the Meyer-Miller mapping Hamiltonian) nonadiabatic dynamics of the excited-state energy transfer dynamics of Frenkel-exciton model. The PCA method clearly clarifies that two types of bath modes, which either display the strong vibronic couplings or have the frequencies close to electronic transition, are very important to the nonadiabatic dynamics. These observations are fully consistent with the physical insights. This conclusion is obtained purely based on the PCA understanding of the trajectory data, without the large involvement of pre-defined physical knowledge. The results show that the PCA approach, one of the simplest unsupervised machine learning methods, is very powerful to analyze the complicated nonadiabatic dynamics in condensed phase involving many degrees of freedom.

scholarly journals Criteria for choosing the number of dimensions in a principal component analysis: An empirical assessment

2020 ◽  
Author(s):  
Renata Silva ◽  
Daniel Oliveira ◽  
Davi Pereira Santos ◽  
Lucio F.D. Santos ◽  
Rodrigo Erthal Wilson ◽  
...  
Keyword(s):  
Machine Learning ◽  
Principal Component Analysis ◽  
Hypothesis Test ◽  
Feature Learning ◽  
Principal Component ◽  
Component Analysis ◽  
Scree Plot ◽  
Open Issue ◽  
Chained Tasks ◽  
High Dimensional Datasets

Principal component analysis (PCA) is an efficient model for the optimization problem of finding d' axes of a subspace Rd' ⊆ Rd so that the mean squared distances from a given set R of points to the axes are minimal. Despite being steadily employed since 1901 in different scenarios, e.g., mechanics, PCA has become an important link in machine learning chained tasks, such as feature learning and AutoML designs. A frequent yet open issue that arises from supervised-based problems is how many PCA axes are required for the performance of machine learning constructs to be tuned. Accordingly, we investigate the behavior of six independent and uncoupled criteria for estimating the number of PCA axes, namely Scree-Plot %, Scree Plot Gap, Kaiser-Guttman, Broken-Stick, p-Score, and 2D. In total, we evaluate the performance of those approaches in 20 high dimensional datasets by using (i) four different classifiers, and (ii) a hypothesis test upon the reported F-Measures. Results indicate Broken-Stick and Scree-Plot % criteria consistently outperformed the competitors regarding supervised-based tasks, whereas estimators Kaiser-Guttman and Scree-Plot Gap delivered poor performances in the same scenarios.

scholarly journals TADA: phylogenetic augmentation of microbiome samples enhances phenotype classification

2019 ◽  
Vol 35 (14) ◽  
pp. i31-i40 ◽  
Author(s):  
Erfan Sayyari ◽  
Ban Kawas ◽  
Siavash Mirarab
Keyword(s):  
Machine Learning ◽  
Sample Size ◽  
Data Augmentation ◽  
Training Data ◽  
Supplementary Information ◽  
High Dimensional ◽  
Learning Methods ◽  
Machine Learning Methods ◽  
Phenotype Classification ◽  
Microbiome Data

Abstract Motivation Learning associations of traits with the microbial composition of a set of samples is a fundamental goal in microbiome studies. Recently, machine learning methods have been explored for this goal, with some promise. However, in comparison to other fields, microbiome data are high-dimensional and not abundant; leading to a high-dimensional low-sample-size under-determined system. Moreover, microbiome data are often unbalanced and biased. Given such training data, machine learning methods often fail to perform a classification task with sufficient accuracy. Lack of signal is especially problematic when classes are represented in an unbalanced way in the training data; with some classes under-represented. The presence of inter-correlations among subsets of observations further compounds these issues. As a result, machine learning methods have had only limited success in predicting many traits from microbiome. Data augmentation consists of building synthetic samples and adding them to the training data and is a technique that has proved helpful for many machine learning tasks. Results In this paper, we propose a new data augmentation technique for classifying phenotypes based on the microbiome. Our algorithm, called TADA, uses available data and a statistical generative model to create new samples augmenting existing ones, addressing issues of low-sample-size. In generating new samples, TADA takes into account phylogenetic relationships between microbial species. On two real datasets, we show that adding these synthetic samples to the training set improves the accuracy of downstream classification, especially when the training data have an unbalanced representation of classes. Availability and implementation TADA is available at https://github.com/tada-alg/TADA. Supplementary information Supplementary data are available at Bioinformatics online.

scholarly journals Multivariate Analysis and Machine Learning for Ripeness Classification of Cape Gooseberry Fruits

Processes ◽  
2019 ◽  
Vol 7 (12) ◽  
pp. 928 ◽  
Author(s):  
Miguel De-la-Torre ◽  
Omar Zatarain ◽  
Himer Avila-George ◽  
Mirna Muñoz ◽  
Jimy Oblitas ◽  
...  
Keyword(s):  
Machine Learning ◽  
Principal Component Analysis ◽  
Feature Selection ◽  
Principal Component ◽  
Component Analysis ◽  
Support Vector ◽  
Color Spaces ◽  
Combination Methods ◽  
Fruit Samples ◽  
Cape Gooseberry

This paper explores five multivariate techniques for information fusion on sorting the visual ripeness of Cape gooseberry fruits (principal component analysis, linear discriminant analysis, independent component analysis, eigenvector centrality feature selection, and multi-cluster feature selection.) These techniques are applied to the concatenated channels corresponding to red, green, and blue (RGB), hue, saturation, value (HSV), and lightness, red/green value, and blue/yellow value (L*a*b) color spaces (9 features in total). Machine learning techniques have been reported for sorting the Cape gooseberry fruits’ ripeness. Classifiers such as neural networks, support vector machines, and nearest neighbors discriminate on fruit samples using different color spaces. Despite the color spaces being equivalent up to a transformation, a few classifiers enable better performances due to differences in the pixel distribution of samples. Experimental results show that selection and combination of color channels allow classifiers to reach similar levels of accuracy; however, combination methods still require higher computational complexity. The highest level of accuracy was obtained using the seven-dimensional principal component analysis feature space.

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