From faef29a51b7b82d571f8ec196e46300193a6e7a3 Mon Sep 17 00:00:00 2001 From: LeandroRitter Date: Sat, 4 Nov 2023 12:21:07 +0100 Subject: [PATCH 1/6] added exercices for pca and mds toy examples --- .../population_structure/assets/mds.png | Bin 0 -> 80371 bytes .../assets/pca_rotation.png | Bin 0 -> 94675 bytes .../pca_mds_toy_example.html | 15782 ++++++++++++++++ .../population_structure/assets/mds.png | Bin 0 -> 80371 bytes .../assets/pca_rotation.png | Bin 0 -> 94675 bytes .../pca_mds_toy_example.ipynb | 432 + 6 files changed, 16214 insertions(+) create mode 100644 docs/_site/exercices/population_structure/assets/mds.png create mode 100644 docs/_site/exercices/population_structure/assets/pca_rotation.png create mode 100644 docs/_site/exercices/population_structure/pca_mds_toy_example.html create mode 100644 docs/exercises/population_structure/assets/mds.png create mode 100644 docs/exercises/population_structure/assets/pca_rotation.png create mode 100644 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z^bl#g3GVJ(3!$cIwnvS~?wZeGC)b#xvr(ajWTzwvqO~^&a|D}N!fTywm|^qn0Hv{5hrAjV!0S3+EeT1R11^8M^5>eB8j8; zF>O@Bvv)R>591V$?_{a*RzKN{>WNx+w&RTvH<^Z?Mj7=6Va-W_G wVHO^?4|GC`X_aI\n", + "A matrix: 5 × 2 of type dbl\n", + "\n", + "\tInd1-6.114866 0.2977272\n", + "\tInd2-3.077094 0.2402932\n", + "\tInd3 0.621230-1.7944048\n", + "\tInd4 3.723118 2.1483083\n", + "\tInd5 4.847612-0.8919238\n", + "\n", + "\n" + ], + "text/latex": [ + "A matrix: 5 × 2 of type dbl\n", + "\\begin{tabular}{r|ll}\n", + "\tInd1 & -6.114866 & 0.2977272\\\\\n", + "\tInd2 & -3.077094 & 0.2402932\\\\\n", + "\tInd3 & 0.621230 & -1.7944048\\\\\n", + "\tInd4 & 3.723118 & 2.1483083\\\\\n", + "\tInd5 & 4.847612 & -0.8919238\\\\\n", + "\\end{tabular}\n" + ], + "text/markdown": [ + "\n", + "A matrix: 5 × 2 of type dbl\n", + "\n", + "| Ind1 | -6.114866 | 0.2977272 |\n", + "| Ind2 | -3.077094 | 0.2402932 |\n", + "| Ind3 | 0.621230 | -1.7944048 |\n", + "| Ind4 | 3.723118 | 2.1483083 |\n", + "| Ind5 | 4.847612 | -0.8919238 |\n", + "\n" + ], + "text/plain": [ + " [,1] [,2] \n", + "Ind1 -6.114866 0.2977272\n", + "Ind2 -3.077094 0.2402932\n", + "Ind3 0.621230 -1.7944048\n", + "Ind4 3.723118 2.1483083\n", + "Ind5 4.847612 -0.8919238" + ] + }, + "metadata": {}, + "output_type": "display_data" + } + ], + "source": [ + "my_mds <- cmdscale(my_dist)\n", + "my_mds" + ] + }, + { + "cell_type": "markdown", + "id": "4d35e344-d8c8-46b8-9b68-499062d10c8d", + "metadata": { + "kernel": "SoS" + }, + "source": [ + "Please take a look at the first latent variable in **my_mds**. Interestengly, if you look at the absolute value of the difference between e.g. individuals 1 and 2, it will be close to 3, between individuals 1 and 3 will be nearly 7 etc. This corresponds to the values in the pairwise Manhattan distances in the **my_dist** matrix above. Therefore, as it was emphasized previously, the point of MDS is to preserve pairwise distances while doing dimension reduction. Finally, let us visualize the 5 individuals in the MDS space and compare it with PCA." + ] + }, + { + "cell_type": "code", + "execution_count": 7, + "id": "6c6d424b-e632-4c43-8720-89cb1aa70190", + "metadata": { + "kernel": "R" + }, + "outputs": [ + { + "data": { + "image/png": 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WnpAQccsHTp0h49erRp0+btt98eOHDg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\nIAhhBwAQh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+ "text/plain": [ + "plot without title" + ] + }, + "metadata": { + "image/png": { + "height": 420, + "width": 420 + } + }, + "output_type": "display_data" + } + ], + "source": [ + "plot(my_mds, xlab = \"MDS1\", ylab = \"MDS2\", pch = 16, cex = 5, col = 6:2)\n", + "points(my_mds, pch = as.character(5:1))" + ] + }, + { + "cell_type": "markdown", + "id": "a4a50a0b-28f8-4581-9259-75e7ea9cbcdd", + "metadata": { + "kernel": "SoS" + }, + "source": [ + "Overall, this picture looks quite similar to the PCA plot above. This is not suprising since both PCA and MDS are based on very similar principles, and typically agree with each other for real-world datasets." + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "e77379d7-ec62-4828-8e4c-40bb334072b5", + "metadata": { + "kernel": "SoS" + }, + "outputs": [], + "source": [] + } + ], + "metadata": { + "kernelspec": { + "display_name": "SoS", + "language": "sos", + "name": "sos" + }, + "language_info": { + "codemirror_mode": "sos", + "file_extension": ".sos", + "mimetype": "text/x-sos", + "name": "sos", + "nbconvert_exporter": "sos_notebook.converter.SoS_Exporter", + "pygments_lexer": "sos" + }, + "sos": { + "kernels": [ + [ + "R", + "ir", + "R", + "#DCDCDA", + "r" + ], + [ + "SoS", + "sos", + "", + "", + "sos" + ] + ], + "panel": { + "displayed": false, + "height": 0 + }, + "version": "0.24.4" + } + }, + "nbformat": 4, + "nbformat_minor": 5 +} From cec1e7362cc32591f9efb2db84f39cba9bc4281d Mon Sep 17 00:00:00 2001 From: LeandroRitter 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- - - - - - - - - - - - - - - - - - - - - From 82d7e7c4ba3f896807c488d466cde13153ba44a1 Mon Sep 17 00:00:00 2001 From: LeandroRitter Date: Sat, 4 Nov 2023 15:48:24 +0100 Subject: [PATCH 3/6] put html next to ipynb --- .../pca_mds_toy_example.html | 15782 ++++++++++++++++ 1 file changed, 15782 insertions(+) create mode 100644 docs/exercises/population_structure/pca_mds_toy_example.html diff --git a/docs/exercises/population_structure/pca_mds_toy_example.html b/docs/exercises/population_structure/pca_mds_toy_example.html new file mode 100644 index 00000000..15ef6d3e --- /dev/null +++ b/docs/exercises/population_structure/pca_mds_toy_example.html @@ -0,0 +1,15782 @@ + + + + + +pca_mds_toy_example + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + From e0d10d0e5403c4354015b8f3ca6803a05322dcfc Mon Sep 17 00:00:00 2001 From: LeandroRitter Date: Sat, 4 Nov 2023 16:12:26 +0100 Subject: [PATCH 4/6] deleted index.qmd from exercices --- docs/exercises/population_structure/index.qmd | 74 ------------------- 1 file changed, 74 deletions(-) delete mode 100644 docs/exercises/population_structure/index.qmd diff --git a/docs/exercises/population_structure/index.qmd b/docs/exercises/population_structure/index.qmd deleted file mode 100644 index 7d98d5af..00000000 --- a/docs/exercises/population_structure/index.qmd +++ /dev/null @@ -1,74 +0,0 @@ ---- -title: "Population structure" -author: - - "Nikolay Oskolkov" -format: html ---- - -::: {.callout-important collapse=true} - -#### {{< fa laptop >}} Jupyter compute environment setup - -If you haven't already done so, please read [Compute -environment](../compute_environment/index.qmd) for information on how -to prepare your working directory. - -This is a Jupyter Notebook exercise. See the -[Conda](../compute_environment/index.qmd#sec-compute-environment-conda) -section on how to install conda. - -::: - -::: {.callout-tip collapse=true} - -## Learning objectives - -::: - -::: {.callout-note collapse=true} - -## Data setup - -:::{.panel-tabset} - -#### Local - -::: - -::: - -::: {.callout-note collapse=true} - -## Tools - -:::{.panel-tabset} - -#### Listing - -- [Jupyter](https://jupyter.org/) - -#### Conda - -::: {.callout-note} - -If you have successfully setup the [`pgip` -environment](../compute_environment/index.qmd#sec-compute-environment-conda), -this step is not required. - -::: - -Copy the contents to a file `environment.yml` and install packages -with `mamba env update -f environment.yml`. - -```{lang="text" } -channels: - - conda-forge - - bioconda - - default -dependencies: - - jupyter -``` - -::: - -::: From f7b95628f3617a90b04ea0253d314f8f4e9f517e Mon Sep 17 00:00:00 2001 From: LeandroRitter Date: Sat, 4 Nov 2023 17:27:34 +0100 Subject: [PATCH 5/6] added raw yaml front matter --- .../pca_mds_toy_example.ipynb | 15 +++++++++++++++ 1 file changed, 15 insertions(+) diff --git a/docs/exercises/population_structure/pca_mds_toy_example.ipynb b/docs/exercises/population_structure/pca_mds_toy_example.ipynb index 54c5bb23..43247c80 100644 --- a/docs/exercises/population_structure/pca_mds_toy_example.ipynb +++ b/docs/exercises/population_structure/pca_mds_toy_example.ipynb @@ -1,5 +1,20 @@ { "cells": [ + { + "cell_type": "raw", + "id": "89066c9b", + "metadata": { + "kernel": "SoS" + }, + "source": [ + "---\n", + "title: \"Your document's title\"\n", + "format:\n", + " html:\n", + "author: \"Nikolay Oskolkov\"\n", + "---" + ] + }, { "cell_type": "markdown", "id": "fd7f1a0d-f357-44c7-8df8-f88050d61936", From 9af80f55f8f1ed42f2ef51f4a8a7f47ae312494e Mon Sep 17 00:00:00 2001 From: LeandroRitter Date: Sat, 4 Nov 2023 17:42:05 +0100 Subject: [PATCH 6/6] modified raw yaml front matter --- .../exercises/population_structure/pca_mds_toy_example.ipynb | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/docs/exercises/population_structure/pca_mds_toy_example.ipynb b/docs/exercises/population_structure/pca_mds_toy_example.ipynb index 43247c80..a1375ab7 100644 --- a/docs/exercises/population_structure/pca_mds_toy_example.ipynb +++ b/docs/exercises/population_structure/pca_mds_toy_example.ipynb @@ -2,15 +2,16 @@ "cells": [ { "cell_type": "raw", - "id": "89066c9b", + "id": "68d9f0d4", "metadata": { "kernel": "SoS" }, "source": [ "---\n", - "title: \"Your document's title\"\n", + "title: \"PCA and MDS for population genetics\"\n", "format:\n", " html:\n", + " code-fold: false\n", "author: \"Nikolay Oskolkov\"\n", "---" ]