Principal Component Analysis (PCA) Dr. Veselina Kalinova Max - - PowerPoint PPT Presentation

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Principal Component Analysis (PCA) Dr. Veselina Kalinova Max - - PowerPoint PPT Presentation

PCA PCA Principal Component Analysis (PCA) Dr. Veselina Kalinova Max Planck Institute for Radioastronomy 2-nd lecture from the course Introduction to Machine learning: the elegant way to extract information from data, Bonn, MPIfR,14th


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Dr. Veselina Kalinova Max Planck Institute for Radioastronomy

2-nd lecture from the course “Introduction to Machine learning: the elegant way to extract information from data”, Bonn, MPIfR,14th of February, 2017

Principal Component Analysis (PCA)

PCA PCA PCA PCA

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credit: IBM Data Science Experience http://datascience.ibm.com/blog/the-mathematics-of-machine-learning/

Machine Learning - the elegant way to extract information from complex and multi-dimensional data

Math matters !

PCA PCA PCA PCA

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Principal Component Analysis (PCA) Motivation

PCA It’s the projection that maximises the area of the shadow and an equivalent measurement is the sums of squares of the distances between points in the projection, we want to see as much of the variation as possible, that’s what PCA does. credit: http://web.stanford.edu/class/bios221/PCA_Slides.html Which projection do you think is better to get more information from the data? PCA PCA PCA

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Principal Component Analysis (PCA) Definition

Principal component analysis (PCA) is a statistical procedure that uses an orthogonal transformation to convert a set of observations of possibly correlated variables into a set of values of linearly uncorrelated variables called principal components. The number of principal components is less than or equal to the number of original variables. This transformation is defined in such a way that the first principal component has the largest possible variance (that is, accounts for as much

  • f the variability in the data as possible), and

each succeeding component in turn has the highest variance possible under the constraint that it is orthogonal to the preceding components. The resulting vectors are an uncorrelated

  • rthogonal basis set.

credit: Wikipedia PCA PCA PCA PCA

  • Fig. PCA of a multivariate

Gaussian distribution centered at (1,3) with a standard deviation of 3 in roughly the (0.866, 0.5) direction and of 1 in the

  • rthogonal direction. The vectors

shown are the eigenvectors of the covariance matrix scaled by the square root of the corresponding eigenvalue, and shifted so their tails are at the mean.

Karl Pearson (1857 - 1936), English mathematician and biostatistician, inventor of PCA in 1901 year.

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Method: I step Principal Component Analysis (PCA)- general idea PC1 PC2 x y 2-D case P C 1 PC2 x y

PC1 captures the direction of the most variation PC2 captures the direction of the 2nd most variation PCn captures the direction of the nnd most variation … (n=100 for our sample. However, we need only n=2 to reconstruct 99 % of the Vc data for all galaxies. )

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credit: http://stats.stackexchange.com/questions/2691/making-sense-of-principal-component-analysis-eigenvectors-eigenvalues

  • riginal data set

PCA orthogonal base of eigenvectors

red lines represent the eigenvectors’ axes, i.e. PC axes

  • scillating around the main PC axes
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PCA on Images

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PCA on Images: Eigenfaces

Checks if the image is a face using PC space

credit: http://archive.cnx.org/contents/ce6cf0ed-4c63-4237-b151-2f4eff8a7b8c@6/facial-recognition- using-eigenfaces-obtaining-eigenfaces

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Happiness subspace (method A)

Recognising emotions using PCA (eigenfaces)

credit: Barnabás Póczos

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Disgust subspace (method A)

Recognising emotions using PCA (eigenfaces)

Barnabás Póczos

credit:

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Representative male face per country

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Representative female face per country

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Compressing images using PCA

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36

Original Image

  • Divide the original 372x492 image into patches:
  • Each patch is an instance that contains 12x12 pixels on a grid
  • View each as a 144-D vector

credit: Barnabás Póczos

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PCA compression: 144D ) 60D

credit: Barnabás Póczos

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PCA compression: 144D ) 16D

16 most important eigenvectors

2 4 6 8 1 0 1 2 2 4 6 8 1 0 1 2 2 4 6 8 1 0 1 2 2 4 6 8 1 0 1 2 2 4 6 8 1 0 1 2 2 4 6 8 1 0 1 2 2 4 6 8 1 0 1 2 2 4 6 8 1 0 1 2 2 4 6 8 1 0 1 2 2 4 6 8 1 0 1 2 2 4 6 8 1 0 1 2 2 4 6 8 1 0 1 2 2 4 6 8 1 0 1 2 2 4 6 8 1 0 1 2 2 4 6 8 1 0 1 2 2 4 6 8 1 0 1 2 2 4 6 8 1 0 1 2 2 4 6 8 1 0 1 2 2 4 6 8 1 0 1 2 2 4 6 8 1 0 1 2 2 4 6 8 1 0 1 2 2 4 6 8 1 0 1 2 2 4 6 8 1 0 1 2 2 4 6 8 1 0 1 2 2 4 6 8 1 0 1 2 2 4 6 8 1 0 1 2 2 4 6 8 1 0 1 2 2 4 6 8 1 0 1 2 2 4 6 8 1 0 1 2 2 4 6 8 1 0 1 2 2 4 6 8 1 0 1 2 2 4 6 8 1 0 1 2

PCA compression: 144D ) 3D

2 4 6 8 1 0 1 2 2 4 6 8 1 0 1 2 2 4 6 8 1 0 1 2 2 4 6 8 1 0 1 2 2 4 6 8 1 0 1 2 2 4 6 8 1 0 1 2

3 most important eigenvectors

Barnabás Póczos

credit:

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PCA compression: 144D ) 1D

credit: Barnabás Póczos

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PCA application to Astronomy

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Application of PCA to Astronomy

Different CVC due to different potential

Kalinova et al., 2017, MNRAS, submitted

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We compare the shapes of the rotation curves in each cell of the radius (x-axis).

Application of PCA to Astronomy

Kalinova et al., 2017, MNRAS, submitted

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Application of PCA to Astronomy

We compare the shape of the rotation curves in both axes - radius and velocity amplitude.

Kalinova et al., 2017, MNRAS, submitted

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Principal Component Analysis (PCA): Reconstructing Vc

Vc,rec = (PC1u1 +PC2u2 +PC3u3 +PC4u4 +PC5u5)+Vc.

reconstructed mean velocity

  • f the sample

P C1 = +0.79, P C2 = −1.86, PC3 = −1.98, PC4 = −1.90, PC5 = +1.82.

Main PC Eigenvectors of Vc

0.2 0.4 0.6 0.8 1.0 1.2 1.4 R/Re

  • 20

20 40 60 80 100 120 Eigenvectors [km s-1] u1 (93.33%) u2 (5.41%) u3 (0.87%) u4 (0.29%) u5 (0.07%)

Reconstructed Vc via PCA

0.2 0.4 0.6 0.8 1.0 1.2 1.4 R/Re 150 200 250 300 350 400 Vc [kms-1] NGC7671 PC1= 1.29 PC2=-2.50 PC3=-1.92 PC4=-2.41 PC5= 0.84

Kalinova et al., 2017, MNRAS, submitted

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SLIDE 23 NGC1056 (Sa) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 80 100 120 140 160 180 Vc [kms-1] NGC1060 (E3) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 300 350 400 450 500 550 600 Vc [kms-1] NGC1167 (S0) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 200 250 300 350 400 Vc [kms-1] NGC1349 (E6) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 200 250 300 350 Vc [kms-1] NGC1542 (Sab) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 50 100 150 200 Vc [kms-1] NGC1645 (S0a) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 150 200 250 300 350 Vc [kms-1] NGC1677 (Scd) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 40 60 80 100 120 Vc [kms-1] NGC2253 (Sbc) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 100 150 200 250 300 Vc [kms-1] NGC2347 (Sbc) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 150 200 250 300 Vc [kms-1] NGC2410 (Sb) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 100 150 200 250 Vc [kms-1] NGC2449 (Sab) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 100 150 200 Vc [kms-1] NGC2476 (E6) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 100 150 200 250 300 Vc [kms-1] NGC2481 (S0) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 100 150 200 250 Vc [kms-1] NGC2486 (Sab) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 180 200 220 240 260 280 300 320 Vc [kms-1] NGC2553 (Sb) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 100 150 200 250 300 Vc [kms-1] NGC2554 (S0a) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 200 250 300 350 Vc [kms-1] NGC2592 (E4) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 100 150 200 250 300 Vc [kms-1] NGC2604 (Sd) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 40 60 80 100 120 Vc [kms-1] NGC2639 (Sa) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 100 150 200 250 300 350 Vc [kms-1] NGC2730 (Scd) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 40 60 80 100 120 140 160 Vc [kms-1] NGC2880 (E7) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 100 150 200 250 Vc [kms-1] NGC2906 (Sbc) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 120 140 160 180 200 220 Vc [kms-1] NGC2916 (Sbc) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 100 150 200 250 Vc [kms-1] NGC2918 (E6) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 100 200 300 400 Vc [kms-1] NGC3057 (Sdm) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 40 60 80 Vc [kms-1] NGC3106 (Sab) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 200 220 240 260 280 300 320 Vc [kms-1] NGC3160 (Sab) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 100 150 200 250 Vc [kms-1] NGC3300 (S0a) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 100 150 200 250 Vc [kms-1] NGC3381 (Sd) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 50 60 70 80 Vc [kms-1] NGC3615 (E5) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 250 300 350 400 450 500 Vc [kms-1] NGC3811 (Sbc) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 160 180 200 220 240 Vc [kms-1] NGC3815 (Sbc) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 50 100 150 200 Vc [kms-1] NGC3994 (Sbc) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 100 150 200 250 300 Vc [kms-1] NGC4003 (S0a) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 160 180 200 220 240 260 Vc [kms-1] NGC4047 (Sbc) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 100 150 200 250 Vc [kms-1] NGC4149 (Sa) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 60 80 100 120 140 160 180 200 Vc [kms-1] NGC4185 (Sbc) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 100 150 200 Vc [kms-1] NGC4210 (Sb) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 80 100 120 140 160 180 200 Vc [kms-1] NGC4470 (Sc) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 40 60 80 100 Vc [kms-1] NGC4644 (Sb) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 50 100 150 200 Vc [kms-1] NGC4711 (Sbc) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 40 60 80 100 120 140 160 180 Vc [kms-1] NGC4816 (E1) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 300 350 400 Vc [kms-1] NGC4956 (E1) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 100 150 200 250 Vc [kms-1] NGC4961 (Scd) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 40 60 80 100 120 140 160 180 Vc [kms-1] NGC5000 (Sbc) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 40 60 80 100 120 140 Vc [kms-1] NGC5029 (E6) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 250 300 350 400 450 Vc [kms-1] NGC5056 (Sc) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 80 100 120 140 160 180 200 Vc [kms-1] NGC5218 (Sab) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 R/Re 50 100 150 200 250 Vc [kms-1] NGC5378 (Sb) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 140 160 180 200 220 Vc [kms-1] NGC5480 (Scd) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 90 100 110 120 130 140 150 Vc [kms-1] IC0480 (Sc) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 50 100 150 Vc [kms-1] IC0540 (Sab) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 40 60 80 100 120 140 Vc [kms-1] IC0674 (Sab) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 100 150 200 250 300 Vc [kms-1] IC0944 (Sab) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 150 200 250 300 Vc [kms-1] IC1079 (E4) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 220 240 260 280 300 320 Vc [kms-1] IC1151 (Scd) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 40 60 80 100 120 140 Vc [kms-1] IC1256 (Sb) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 50 100 150 200 Vc [kms-1] IC1528 (Sbc) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 40 60 80 100 120 140 160 Vc [kms-1] IC1652 (S0a) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 120 140 160 180 Vc [kms-1] IC1755 (Sb) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 100 150 200 250 300 Vc [kms-1] IC2101 (Scd) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 50 100 150 Vc [kms-1] IC2247 (Sab) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 120 140 160 180 Vc [kms-1] IC2487 (Sc) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 80 100 120 140 160 180 200 Vc [kms-1] IC4566 (Sb) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 100 150 200 250 Vc [kms-1] IC5309 (Sc) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 60 80 100 120 140 160 Vc [kms-1] IC5376 (Sb) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 100 150 200 250 Vc [kms-1] MCG-01-54-016 (Scd) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 40 60 80 100 120 Vc [kms-1] MCG-02-02-030 (Sb) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 60 80 100 120 140 160 180 Vc [kms-1] MCG-02-02-040 (Scd) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 50 100 150 Vc [kms-1] MCG-02-03-015 (Sab) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 150 200 250 Vc [kms-1] MCG-02-51-004 (Sb) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 100 150 200 250 Vc [kms-1] NGC0001 (Sbc) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 100 150 200 250 Vc [kms-1] NGC0023 (Sb) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 150 200 250 300 Vc [kms-1] NGC0155 (E1) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 150 200 250 300 Vc [kms-1] NGC0160 (Sa) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 200 250 300 350 Vc [kms-1] NGC0171 (Sb) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 100 120 140 160 Vc [kms-1] NGC0177 (Sab) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 100 150 200 Vc [kms-1] NGC0192 (Sab) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 140 160 180 200 220 240 260 Vc [kms-1] NGC0214 (Sbc) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 100 120 140 160 180 200 220 240 Vc [kms-1] NGC0216 (Sd) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 20 40 60 80 100 Vc [kms-1] NGC0217 (Sa) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 100 150 200 250 Vc [kms-1] NGC0237 (Sc) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 50 100 150 Vc [kms-1] NGC0257 (Sc) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 100 150 200 250 Vc [kms-1] NGC0429 (Sa) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 50 100 150 200 250 Vc [kms-1] NGC0444 (Scd) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 40 60 80 100 120 140 Vc [kms-1] NGC0499 (E5) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 250 300 350 400 450 500 Vc [kms-1] NGC0504 (S0) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 100 150 200 250 300 350 Vc [kms-1] NGC0517 (S0) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 100 150 200 250 300 350 Vc [kms-1] NGC0528 (S0) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 100 150 200 250 300 Vc [kms-1] NGC0529 (E4) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 150 200 250 300 350 400 Vc [kms-1] NGC0551 (Sbc) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 100 150 200 Vc [kms-1] NGC0681 (Sa) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 140 160 180 200 220 Vc [kms-1] NGC0741 (E1) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 400 450 500 550 600 Vc [kms-1] NGC0755 (Scd) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 20 40 60 80 100 120 140 Vc [kms-1] NGC0768 (Sc) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 50 100 150 200 250 Vc [kms-1] NGC0774 (S0) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 50 100 150 200 250 Vc [kms-1] NGC0776 (Sb) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 100 120 140 160 180 Vc [kms-1] NGC0781 (Sa) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 R/Re 60 80 100 120 140 160 180 Vc [kms-1] NGC0810 (E5) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 200 300 400 500 Vc [kms-1] NGC0932 (S0a) 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 140 160 180 200 220 240 260 280 Vc [kms-1]

Reconstruction using the 5 main PCA basic eigenvectors

Kalinova et al., 2017, MNRAS, submitted

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PCA analysis to the entire sample of 238 galaxies

PCA analysis

Kalinova et al., 2017, MNRAS, submitted

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Method: K-means clustering technique

credit:

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PCA and 2-D K-means techniques to the entire sample of 238 galaxies

PCA analysis K-means analysis

Kalinova et al., 2017, MNRAS, submitted

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Kalinova et al., 2017, MNRAS, submitted

Circular velocity curves classified by using PCA+k-means analysis

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Kalinova et al., 2017, MNRAS, submitted

Circular velocity curves classified by using PCA+k-means analysis Very good separation by shape and amplitude of the Vc

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Kalinova et al., 2017, MNRAS, submitted

Dynamical Classification of Galaxies into 4 categories using 5 PC vectors and projections

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Kalinova et al., 2017, MNRAS, submitted

Distribution of some galaxy properties by the established 4 dynamical classes Box-and-Whisker representation: boxes contains 50 %

  • f the data, where

the extended dashed line corresponds to 3-σ

  • f the data

distribution.

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Cross-validation technique to estimate the stability of the PCA classification

Removing 20 galaxies on each run and estimate the stability

  • f the classification by matching the classes of the old sample

Kalinova et al., 2017, MNRAS, submitted

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References for PCA

“A tutorial on Principal Component Analysis”, Lindsay Smith, 2002, http://faculty.iiit.ac.in/~mkrishna/PrincipalComponents.pdf “The Elements of Statistical Learning”, Trevor Hastie, Robert Tibshirani, Jerome Friedman, Springer, 2nd edition, 2009 (Chapter 14.5) http://statweb.stanford.edu/~tibs/ElemStatLearn/ Presentation “Principal Component Analysis”, Barnabos Poszos, University of Alberta, 2009 https://www.cs.cmu.edu/~bapoczos/other_presentations/PCA_24_10_2009.pdf “A tutorial on Principal Component Analysis: derivation, discussion and singular value decomposition”, Jonathon Shlens https://arxiv.org/pdf/1404.1100.pdf