{ "cells": [ { "cell_type": "code", "execution_count": 1, "metadata": {}, "outputs": [ { "data": { "text/html": [ "" ], "text/vnd.plotly.v1+html": [ "" ] }, "metadata": {}, "output_type": "display_data" } ], "source": [ "import scipy\n", "import numpy as np\n", "import pandas as pd\n", "import itertools as it\n", "\n", "from math import sin\n", "import collections\n", "\n", "def recursively_default_dict():\n", " return collections.defaultdict(recursively_default_dict)\n", "\n", "from sklearn.neighbors import KernelDensity\n", "from sklearn.decomposition import PCA\n", "from sklearn.model_selection import GridSearchCV\n", "from sklearn.cluster import MeanShift, estimate_bandwidth\n", "from sklearn.metrics.pairwise import pairwise_distances\n", "from sklearn.metrics.pairwise import euclidean_distances\n", "from sklearn.preprocessing import scale\n", "\n", "from scipy.stats.stats import pearsonr \n", "\n", "from scipy.stats import invgamma \n", "from scipy.stats import beta\n", "import matplotlib.pyplot as plt\n", "\n", "import plotly\n", "import plotly.plotly as py\n", "import plotly.graph_objs as go\n", "from plotly.offline import download_plotlyjs, init_notebook_mode, plot, iplot\n", "from plotly.graph_objs import *\n", "import plotly.figure_factory as ff\n", "\n", "from sklearn.metrics import silhouette_samples, silhouette_score\n", "\n", "\n", "from ipywidgets import interact, interactive, fixed, interact_manual\n", "import ipywidgets as widgets\n", "init_notebook_mode(connected=True)\n", "\n", "import Lab_modules.StructE_tools as Ste\n", "\n", "from Lab_modules.Generate_freq_vectors import generate_vectors_Beta" ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "## Distribution of euclidian distance.\n", "\n", "This notebook adresses the problem of studying genetic distances across genomic windows.\n", "\n", "#### I. Generating genotypes.\n", "\n", "Create a synthetic data set of consecutive genomic windows of haploid data. Several functions of are proposed to model genomic diversity. Population number and sampling size are user defined.\n", "\n", "#### II. Perform calculations. \n", "\n", "This section performs distance calculations across the data sets proovided.\n", "All calculations are performed in PCA feature space and focus on one selected focus population.\n", "\n", "At each window two centroids are calculated: that of the samples from the focus populations and that of all the remainder.\n", "The distances of all samples to each centroid are calculated. The mean and standard deviation of non-target distances. \n", "\n", "#### III. Data visualization.\n", "\n", "Explores different ways to visualize the data produced." ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "## I. Generating haplotypes\n", "\n", "We will begin by generating many data sets, each bearing population samples presenting predetermined degrees of correlation. \n", "\n", "The protocol used to produce these samples is explored in another notebook, [Genome Structure Sim](https://nbviewer.jupyter.org/github/SantosJGND/Tools_and_toys/blob/master/Simulate_genomes/Genomic%20structure%20Simulator.ipynb), available in the GitHub directory [Tools_Shop](https://github.com/SantosJGND/Tools_and_toys)\n", "\n", "The process begins by the simulation of a frequency vectors of a given length, each representative of a single population. Through PCA, these vectors are then used to generate new vectors that respect a given prior of pairwise correlation. \n", "\n" ] }, { "cell_type": "code", "execution_count": 6, "metadata": {}, "outputs": [ { "name": "stdout", "output_type": "stream", "text": [ "(2000, 100)\n", "(2000, 150)\n" ] } ], "source": [ "Nbranches= 4\n", "L= 150\n", "n= 100\n", "rangeA= [1,2.5]\n", "rangeB = [.1,.6]\n", "steps= 20\n", "n_comp = 100\n", "density= 50\n", "\n", "\n", "vector_lib, background= generate_vectors_Beta(L,n,rangeA,rangeB,steps,n_comp)\n", "\n", "pca = PCA(n_components=n_comp, whiten=False,svd_solver='randomized').fit(vector_lib)\n", "features = pca.transform(vector_lib)\n", "\n", "print(features.shape)\n", "print(vector_lib.shape)" ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "#### Correlation priors" ] }, { "cell_type": "code", "execution_count": 7, "metadata": {}, "outputs": [], "source": [ "### Functions to manipulate genetic structure.\n", "\n", "def sin_prior(coords,target,vector2,angle,fst_max= 0.2,passport= False):\n", " ID= 'sinusoid'\n", " \n", " coords[target[0]] = coords[target[0]] - [(fst_max * 10 - 1) * sin(angle) * x for x in vector2]\n", " \n", " if passport:\n", " return coords,ID\n", " else:\n", " return coords\n", "\n", "\n", "def linear_prior(coords,target,vector2,angle,region= [-5,5],slope= 1,passport= False):\n", " ID= 'linear'\n", " \n", " if angle >= region[0] and angle <= region[1]:\n", " progression= abs(angle - region[0]) / (region[1] - region[0])\n", " coords[target[0]] = coords[target[0]] + [progression * x * slope for x in vector2]\n", " \n", " if passport:\n", " return coords,ID\n", " else:\n", " return coords\n", "\n", "\n", "def introgression_prior(coords,target,vector2,angle, region,passport= False):\n", " ID= 'introgression'\n", " \n", " if angle >= region[0] and angle <= region[1]:\n", " coords[target[0]] = coords[1]\n", " \n", " if passport:\n", " return coords,ID\n", " else:\n", " return coords\n", " \n", "\n", "def alien_prior_I(coords,target,vector2,angle,fst= .2,region= [-5,5],passport= False):\n", " ID= 'alien I'\n", " \n", " if angle >= region[0] and angle <= region[1]:\n", " coords[target[0]] = coords[target[0]] + [(10 * fst - 1) * x for x in vector2]\n", " #coords[target[0]] = coords[target[0]] + [sin(angle) * x for x in vector2] remember to try this though\n", " #coords[target[0]] = coords[len(coords) - 1]\n", " else:\n", " coords[target[0]] = coords[target[1]]\n", " \n", " if passport:\n", " return coords,ID\n", " else:\n", " return coords\n", "\n", "\n", "def alien_prior_II(coords,target,vector2,angle,fst= .2,region= [-5,5],passport= False):\n", " ID= 'alien II'\n", " \n", " if angle >= region[0] and angle <= region[1]:\n", " coords[target[0]] = coords[target[0]] + [(10 * fst - 1) * x for x in vector2]\n", " #coords[target[0]] = coords[target[0]] + [sin(angle) * x for x in vector2] remember to try this though\n", " #coords[target[0]] = coords[len(coords) - 1]\n", " \n", " if passport:\n", " return coords,ID\n", " else:\n", " return coords\n", "\n", "\n", "def alien_prior_III(coords,target,vector2,angle,fst_a= 0.2,fst_b= .2,region= [-5,5],passport= False):\n", " ID= 'alien III'\n", " \n", " if angle >= region[0] and angle <= region[1]:\n", " coords[target[0]] = coords[target[0]] + [(10 * fst_b-1) * x for x in vector2]\n", " #coords[target[0]] = coords[target[0]] + [sin(angle) * x for x in vector2] remember to try this though\n", " #coords[target[0]] = coords[len(coords) - 1]\n", " else:\n", " coords[target[0]] = coords[target[0]] + [(10 * fst_a-1) * x for x in vector2]\n", " \n", " if passport:\n", " return coords,ID\n", " else:\n", " return coords\n", "\n" ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "A first look at the correlation between simulated frequency vectors across data sets. " ] }, { "cell_type": "code", "execution_count": 11, "metadata": {}, "outputs": [ { "name": "stderr", "output_type": "stream", "text": [ "D:\\GitHub\\Genetic-data-analysis\\Notebooks\\Lab_modules\\StructE_tools.py:419: RuntimeWarning:\n", "\n", "invalid value encountered in double_scalars\n", "\n" ] }, { "data": { "application/vnd.plotly.v1+json": { "config": { "linkText": "Export to plot.ly", "plotlyServerURL": "https://plot.ly", "showLink": true }, "data": [ { "mode": "markers", "name": "(0, 1)", "type": "scatter", "uid": "1f7432d5-8e59-4c69-84c0-9b32558df0b8", "x": [ -10000, -9797, -9595, -9393, -9191, -8989, -8787, -8585, -8383, -8181, -7979, -7777, -7575, -7373, -7171, -6969, -6767, -6565, -6363, -6161, -5959, -5757, -5555, -5353, -5151, -4949, -4747, -4545, -4343, -4141, -3939, -3737, -3535, -3333, -3131, -2929, -2727, -2525, -2323, -2121, -1919, -1717, -1515, -1313, -1111, -909, -707, -505, -303, -101, 101, 303, 505, 707, 909, 1111, 1313, 1515, 1717, 1919, 2121, 2323, 2525, 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" ], "text/vnd.plotly.v1+html": [ "" ] }, "metadata": {}, "output_type": "display_data" } ], "source": [ "from Lab_modules.Generate_samples import Gen_samples, Check_Path, plot_GenFst\n", "\n", "\n", "Sizes= [100,100,100,100]\n", "\n", "Npops= len(Sizes)\n", "\n", "range_diff= [-10,10]\n", "\n", "\n", "prior_kwargs= {\n", " 'fst_a': .0,\n", " 'fst_b': 0.3,\n", " 'region': [-3,-1]\n", "}\n", "\n", "prior_func= alien_prior_III\n", "\n", "fig, Pops, prior= Check_Path(Npops,vector_lib,prior_func,prior_kwargs,Pops= [],random= True,n_comp= L,range_diff= range_diff,steps= 100)\n", "\n", "iplot(fig)" ] }, { "cell_type": "code", "execution_count": 15, "metadata": {}, "outputs": [ { "name": "stdout", "output_type": "stream", "text": [ "...\n" ] }, { "name": "stderr", "output_type": "stream", "text": [ "D:\\GitHub\\Genetic-data-analysis\\Notebooks\\Lab_modules\\StructE_tools.py:419: RuntimeWarning:\n", "\n", "invalid value encountered in double_scalars\n", "\n" ] }, { "name": "stdout", "output_type": "stream", "text": [ "Done.\n" ] } ], "source": [ "# (Pops,Sizes,vector_lib,return_pca= False,n_comp= 100,prior= 'sinusoid',range_diff= [-10,10],steps= 100)\n", "\n", "SequenceStore, Fst_windows= Gen_samples(Pops,Sizes,vector_lib,prior_func,prior_kwargs,range_diff= range_diff,steps= 100)" ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "\n", "We verify that the structure produced at each local window corresponds to the expected pattern. 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"text/vnd.plotly.v1+html": [ "" ] }, "metadata": {}, "output_type": "display_data" } ], "source": [ "from Lab_modules.Generate_samples import plot_GenFst\n", "\n", "plot_GenFst(Fst_windows,Npops,1)" ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "## II. Distance measurments\n", "\n", "The goal is to study the isolation of a group of accessions relative to all reference samples across data sets. \n", "\n", "The idea is simple: \n", "\n", "- At each window we begin by projecting haplotypes into PCA feature space, retaining a limited but useful number of PCs. \n", "- We determine the centroids, in feature space, of target and reference accessions separately: target and reference centroids. \n", "- Calculate euclidean distances to target and reference centroids for all accessions. \n", "\n", "Later we will study the distribution of distances to target centroid across data sets." ] }, { "cell_type": "code", "execution_count": 53, "metadata": { "scrolled": true }, "outputs": [], "source": [ "from IPython.display import clear_output\n", "from Lab_modules.Distance_tools_VI import Distance_analysis\n", "\n", "### Perform Distance and association analysis on the data sets generated\n", "\n", "### Define reference and admixed associations:\n", "### for the purpose of this analysis exploration will be driven by\n", "### structure distance profiles. Since KDE will be used for exploration, \n", "### a set of accessions can be analysed that do not contribute to \n", "### distance profiles.\n", "\n", "admx_N= 15\n", "admx_indx= np.random.choice(range(sum(Sizes)),admx_N,replace= False)\n", "\n", "ref_indx= [x for x in range(sum(Sizes)) if x not in admx_indx]\n", "\n", "labels_pops= np.repeat(range(len(Sizes)),Sizes)\n", "\n", "##\n", "\n", "refs_lib= {x:[i for i in range(sum(Sizes)) if labels_pops[i] == x] for x in range(len(Sizes))}\n", "\n", "admx_lib= {(max(refs_lib.keys()) + 1): admx_indx}\n", "\n", "\n", "admx_lib.update(refs_lib)\n", "Geneo= admx_lib\n", "\n", "### Define parameters and libraries of analyses.\n", "DIMr = 'PCA'\n", "Bandwidth_split= 30\n", "ncomp_local= 4\n", "clsize= 15\n", "\n", "target_group= 0\n", "\n", "\n", "Distances, Clover, Ref_stats_lib, Ref_stats, center_distances, Coordinates, Clusters_coords= Distance_analysis(SequenceStore,target_group,refs_lib,DIMr = 'PCA',\n", " Bandwidth_split= Bandwidth_split,\n", " ncomp_local= ncomp_local,\n", " clsize= clsize)" ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "### Pre-processing of output data" ] }, { "cell_type": "code", "execution_count": 54, "metadata": {}, "outputs": [], "source": [ "\n", "Ref_stats= np.array(Ref_stats)\n", "Clover= np.array([x for x in Clover])\n", "Coordinates= np.array(Coordinates)\n", "Clusters_coords= np.array(Clusters_coords)\n", "Distances= np.array(Distances)\n", "center_distances= np.array([x for x in center_distances])\n", "#center_distances= np.array([x.reshape(1,-1)[0] for x in center_distances])\n", "\n", "from sklearn import preprocessing\n", "\n", "\n", "### initial step of filtering.\n", "### removing windows where variation between references resulted\n", "### in normalized min and maximum distances above threshold. \n", "###\n", "\n", "Trim_threshold= 20\n", "\n", "trim_indexes= [x for x in range(Clover.shape[0]) if \\\n", " min(Clover[x]) >= -Trim_threshold and max(Clover[x]) <= Trim_threshold and \\\n", " min(center_distances[x]) >= -Trim_threshold and max(center_distances[x]) <= Trim_threshold]\n", "\n", "\n", "\n", "Ref_stats= np.array(Ref_stats[trim_indexes])\n", "Distances= np.array(Distances[trim_indexes])\n", "Clover= np.array(Clover[trim_indexes])\n", "center_distances= np.array(center_distances[trim_indexes])\n", "Clusters_coords= np.array(Clusters_coords[trim_indexes])\n", "\n" ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "### Processing distance data. \n", "\n", "Reduce and cluster distance vectors. Estimate average distances across clusters produced.\n", "\n", "The clustering algorithm here is Kmeans. The value of K is set manually. I suggest using the default and coming back here to reset according to the structure observed below.\n", "\n", "Organise into `data` library." ] }, { "cell_type": "code", "execution_count": 66, "metadata": {}, "outputs": [ { "name": "stdout", "output_type": "stream", "text": [ "dict_keys(['PCA', 'FA', 'Ref_stats', 'Distances', 'centre_dists'])\n" ] } ], "source": [ "from Lab_modules.Distance_tools import reduc_clust_summ\n", "\n", "variation_focus= range(len(Whose_parents))\n", "\n", "### PCA\n", "pca = PCA(n_components=5, whiten=False).fit(Clover.T)\n", "X_se = pca.transform(Clover.T)\n", "COMPS81 = pca.components_.T*np.sqrt(pca.explained_variance_)\n", "\n", "###############################################################################\n", "###############################################################################\n", "###############################################################################\n", "\n", "\n", "###### compare decompositions:\n", "from sklearn.decomposition import PCA, FactorAnalysis, FastICA\n", "\n", "dr_names= ['PCA','FA','FastICA']\n", "Decoms= [PCA(n_components= 5),FactorAnalysis(n_components= 5)]\n", "###\n", "\n", "\n", "data= reduc_clust_summ(Clover,Distances,center_distances,Ref_stats,Decoms,dr_names,kclusters= 2)\n", "\n", "print(data.keys())" ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "### Data Analysis\n", "\n", "#### Reduction and cluster analysis.\n", "\n", "#### i. Proportion of distance vectors assigned to each cluster." ] }, { "cell_type": "code", "execution_count": 67, "metadata": {}, "outputs": [ { "data": { "application/vnd.plotly.v1+json": { "config": { "linkText": "Export to plot.ly", "plotlyServerURL": "https://plot.ly", "showLink": true }, "data": [ { "marker": { "color": [ "rgb(158,202,225)", "rgb(158,202,225)", "rgb(204,0,0)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)", "rgb(158,202,225)" ], "line": { "color": "rgb(8,48,107)", "width": 1.5 } }, "opacity": 0.6, "text": [ "0.1", "0.9" ], "type": "bar", "uid": "bf91d1d1-62c5-4385-a750-72fe0c0ce530", "x": [ "1", "2" ], "y": [ 0.1, 0.9 ] } ], "layout": { "title": "cluster proportions", "xaxis": { "title": "MS clusters" }, "yaxis": { "title": "%" } } }, "text/html": [ "" ], "text/vnd.plotly.v1+html": [ "" ] }, "metadata": {}, "output_type": "display_data" } ], "source": [ "### Cluster proportions\n", "### Select feature reduction:\n", "Dr= 'PCA'\n", "clusters_labels= data[Dr]['labels_l1']\n", "\n", "def paint_bars(selected):\n", " clusters= data[Dr]['features']\n", " if selected == 0:\n", " color_range = ['rgb(158,202,225)'] * len(list(set(clusters.iloc[:,0])))\n", " else:\n", " color_range = ['rgb(158,202,225)'] * len(list(set(clusters.iloc[:,0])))\n", " color_range[selected - 1] = 'rgb(204,0,0)'\n", " \n", " whom= sorted(list(set(clusters_labels)))\n", " nb= [round(len([x for x in clusters_labels if x == y]) / float(len(clusters_labels)),3) for y in whom]\n", " nc= [str(x + 1) for x in whom]\n", " trace = [go.Bar(\n", " x= nc,\n", " y= nb,\n", " text= nb,\n", " marker=dict(\n", " color= color_range,\n", " line=dict(\n", " color='rgb(8,48,107)',\n", " width=1.5),\n", " ),\n", " opacity= .6\n", " )]\n", " layout= go.Layout(\n", " title= 'cluster proportions',\n", " xaxis= dict(\n", " title= 'MS clusters'\n", " ),\n", " yaxis= dict(\n", " title= '%'\n", " )\n", " )\n", " fig= go.Figure(data=trace,layout=layout)\n", " iplot(fig)\n", "\n", "#interact(paint_bars,selected= [x for x in range(len(list(set(clusters_labels)))+1)])\n", "\n", "paint_bars(3)\n" ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "#### ii. Distance vector PCA." ] }, { "cell_type": "code", "execution_count": 68, "metadata": { "scrolled": false }, "outputs": [ { "data": { "application/vnd.plotly.v1+json": { "config": { "linkText": "Export to plot.ly", "plotlyServerURL": "https://plot.ly", "showLink": true }, "data": [ { "marker": { "line": { "width": 0 }, "opacity": 1, "size": 6, "symbol": "circle" }, "mode": "markers", "name": "1", "type": "scatter", "uid": "c4e61d06-9b2c-47df-bc03-c0efb2345e09", "x": [ -0.9100737617217831, -2.6278013925937076, -1.9955443482744166, -3.019098460946152, 3.6805957013376265, 9.167646417283017, -0.9372868738908917, 0.5346093588892356, -2.3737954442699745, 3.8552717813406074 ], "y": [ 114.38408567676487, 126.51078794023705, 127.64321635820288, 128.71492956688593, 101.31989850597627, 87.88818330957265, 120.44441439903252, 119.64119361828423, 130.28285337097515, 108.52092093700188 ] }, { "marker": { "line": { "width": 0 }, "opacity": 1, "size": 6, "symbol": "circle" }, "mode": "markers", "name": "2", "type": "scatter", "uid": "19b01750-b2de-43e7-a4df-bf6c31d19904", "x": [ 2.3797327901395517, 2.100377595825343, 0.3804555891317931, -0.6467138052296341, 3.991060873461226, -0.7855191568078467, -2.6624706750408484, 7.1349699932044, -4.680077879338731, -0.03066304699322809, 3.0474375846591584, 4.25163898716333, 0.4196203304314785, 5.231454790338573, -3.9596905467060823, -6.170852848677338, 0.27808516546630463, 4.888321510854072, -4.4097247403559505, -3.950022479391746, 1.9460199122796689, 3.8947948598337794, 3.4979866602115326, 0.5979231890052509, -2.334208879170222, -0.973898303319152, 2.6854867364459696, -4.500050269621074, -0.41076292111087964, 5.163532332720733, -2.5234038680014654, 4.995119716659634, -9.599910281780675, -2.535198052368228, 7.592368575170589, -3.449857699735459, -0.7116752929341086, 2.8401561797032877, 2.7627751212145215, 3.7358035360773214, 6.80612561285327, -10.316202076960433, 0.051784720356239045, 0.8262344825777663, 1.243892216784099, -1.1521247674844566, 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"output_type": "display_data" } ], "source": [ "\n", "### plot clusters:\n", "clusters_labels= data[Dr]['labels_l1']\n", "clusters= data[Dr]['features']\n", "\n", "def plot_clusters(selected):\n", " scheme = [x for x in list(set(clusters_labels))]\n", " if selected == 0:\n", " opac_range = [1]*len(list(set(clusters_labels)))\n", " else:\n", " opac_range = [.3]*len(list(set(clusters_labels)))\n", " opac_range[selected-1] = 1\n", " fig_data= [go.Scatter(\n", " y = clusters.iloc[[x for x in range(len(clusters_labels)) if clusters_labels[x] == i],:].pc1,\n", " x = clusters.iloc[[x for x in range(len(clusters_labels)) if clusters_labels[x] == i],:].pc2,\n", " mode= \"markers\",\n", " marker= {\n", " 'line': {'width': 0},\n", " 'size': 6,\n", " 'symbol': 'circle',\n", " 'opacity': opac_range[i]\n", " },\n", " name = str(i + 1)\n", " ) for i in scheme]\n", " \n", " layout = go.Layout(\n", " title= 'Distance to references PCA',\n", " xaxis= dict(\n", " title= 'PC2'\n", " ),\n", " yaxis= dict(\n", " title= 'PC1'\n", " ),\n", " showlegend= True\n", " )\n", " \n", " fig = go.Figure(data=fig_data, layout=layout)\n", " iplot(fig)\n", "\n", "#interact(plot_clusters,selected= [x for x in range(len(clusters.label.unique())+1)])\n", "plot_clusters(0)" ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "#### iii. Loadings analysis. \n", "\n", "Loadings correspond to haplotype samples." ] }, { "cell_type": "code", "execution_count": 69, "metadata": {}, "outputs": [], "source": [ "df= pd.DataFrame(X_se,columns= None)\n", "\n", "Centre_distances= data['centre_dists']\n", "Ref_stats= data['Ref_stats']\n", "\n", "ID= prior + ' sim'" ] }, { "cell_type": "code", "execution_count": 85, "metadata": {}, "outputs": [ { "data": { "application/vnd.plotly.v1+json": { "config": { "linkText": "Export to plot.ly", "plotlyServerURL": "https://plot.ly", "showLink": true }, "data": [ { "marker": { "color": 1, "line": { "width": 0 }, "opacity": 1, "size": 6, "symbol": "circle" }, "mode": "markers", "name": "1", "type": "scatter", "uid": "64124479-00e2-4b07-b5a2-0b1fd592c1db", "x": [ -1.0301580281338159, 1.649212808002322, -0.32849751934758403, 0.6925874177806605, -1.1564909683893416, 0.35292300451328734, -0.3553326047957643, -2.0026307077106273, 0.9338403754343756, -0.19703035735809116, -0.22508301209060066, 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\n", " layout= go.Layout(\n", " margin=dict(\n", " l=0,\n", " r=0,\n", " b=0,\n", " t=0\n", " ),\n", " xaxis= dict(\n", " title= 'PC1',\n", " ),\n", " showlegend= True\n", " )\n", " #names_index = [[f for f in orderCore.ID].index(x) for x in [str(y) for y in df.iloc[:,1]]]\n", " opac= .8\n", " if selected_column == 0:\n", " scheme = labels_pops\n", " coords = {y:[x for x in range(len(scheme)) if scheme[x] == y and x ] for y in list(set(scheme))}\n", " \n", " #pop_refs= [\"Indica\",\"cAus\",\"Japonica\",\"GAP\",\"cBasmati\",\"Admix\"]\n", " #color_here= color_ref\n", " \n", " fig= [go.Scatter(\n", " x = df.iloc[coords[i],2],\n", " y = df.iloc[coords[i],3],\n", " mode= \"markers\",\n", " marker= {\n", "# 'color': scheme,\n", " 'color': i,\n", " 'line': {'width': 0},\n", " 'size': 6,\n", " 'symbol': 'circle',\n", " \"opacity\": 1\n", " },\n", " name= str(i)\n", " ) for i in coords.keys() if i != 0]\n", " \n", " if selected_column > 0:\n", " fig= [go.Scatter(\n", " x = df.iloc[:,2],\n", " y = df.iloc[:,3],\n", " mode= \"markers\",\n", " marker= {\n", " 'color': vectors.iloc[:,selected_column - 1],\n", " 'colorbar': go.ColorBar(\n", " title= 'ColorBar'\n", " ),\n", " 'colorscale': 'Viridis',\n", " 'line': {'width': 0},\n", " 'size': 6,\n", " 'symbol': 'circle',\n", " \"opacity\": opac\n", " }\n", " )]\n", " \n", " fig = go.Figure(data=fig,layout= layout)\n", " iplot(fig)\n", "\n", "#interact(plot_accessions,selected_column= [x for x in range(len(clusters.label.unique())+1)]) \n", "plot_accessions(0)" ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "### Centroid distances.\n", "\n", "\n", "We now look at the distance of individual samples to target and reference centroids across data sets. We partition distance vectors according to the clusters studied above. \n", "\n", "#### i. Distance density. \n", "\n", "How variable are average distance measurements across vectors? by Group (plot) and individual (scatter)." ] }, { "cell_type": "code", "execution_count": 136, "metadata": { "scrolled": false }, "outputs": [ { "name": "stdout", "output_type": "stream", "text": [ "This is the format of your plot grid:\n", "[ (1,1) x1,y1 ] [ (1,2) x2,y2 ]\n", "\n", "1\n", "2\n" ] }, { "data": { "application/vnd.plotly.v1+json": { "config": { "linkText": "Export to plot.ly", "plotlyServerURL": "https://plot.ly", "showLink": true }, "data": [ { "marker": { "color": "rgb(102,0,0)", "opacity": 0.4, "size": 5 }, "mode": "markers", "name": "points", "type": "scatter", "uid": "d483832e-2146-480c-8348-65b9371d9d80", "x": [ 0.5968491454672812, 0.5047961708509494, 0.4863142269276036, 0.5820420128971252, 0.6449211179674827, 0.5550672714128168, 0.46187921877813104, 0.5238544926052584, 0.5719555292062247, 0.5800551114761303, 0.5417783817744553, 0.600529688119489, 0.5224682260930749, 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"anchor": "y2", "domain": [ 0.55, 1 ], "showgrid": false, "title": "target distances", "zeroline": false }, "yaxis": { "anchor": "x", "domain": [ 0, 1 ], "showgrid": false, "title": "reference distances", "zeroline": false }, "yaxis2": { "anchor": "x2", "domain": [ 0, 1 ], "showgrid": false, "title": "reference distances", "zeroline": false } } }, "text/html": [ "" ], "text/vnd.plotly.v1+html": [ "" ] }, "metadata": {}, "output_type": "display_data" } ], "source": [ "from Lab_modules.distance_subplots import dens_plot, trace_plot\n", "Ncols= 2\n", "height= 400\n", "width= 1000\n", "\n", "data_groups= list(set(clusters_labels))\n", "titles= ['CL: {}'.format(x) for x in data_groups]\n", "\n", "dens_plot(data,data_groups,titles,Dr,Ncols= Ncols,width= width,height= height)" ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "#### Average by group with ID and group information presented" ] }, { "cell_type": "code", "execution_count": 137, "metadata": {}, "outputs": [ { "name": 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"color": "black", "opacity": 0.6, "size": 10 }, "mode": "markers", "type": "scatter", "uid": "23d38784-312a-44ce-9110-414d880be142", "x": [ -3.8140336384533238 ], "xaxis": "x2", "y": [ 2.395804819450386 ], "yaxis": "y2" } ], "layout": { "annotations": [ { "font": { "size": 16 }, "showarrow": false, "text": "CL: 0", "x": 0.225, "xanchor": "center", "xref": "paper", "y": 1, "yanchor": "bottom", "yref": "paper" }, { "font": { "size": 16 }, "showarrow": false, "text": "CL: 1", "x": 0.775, "xanchor": "center", "xref": "paper", "y": 1, "yanchor": "bottom", "yref": "paper" } ], "height": 400, "title": "distances label 2; Target mean: 2.4", "width": 1000, "xaxis": { "anchor": "y", "domain": [ 0, 0.45 ], "title": "distances to target, scaled" }, "xaxis2": { "anchor": "y2", "domain": [ 0.55, 1 ], "title": "distances to target, scaled" }, "yaxis": { "anchor": "x", "domain": [ 0, 1 ], "title": "distances to centre, scaled" }, "yaxis2": { "anchor": "x2", "domain": [ 0, 1 ], "title": "distances to centre, scaled" } } }, "text/html": [ "" ], "text/vnd.plotly.v1+html": [ "" ] }, "metadata": {}, "output_type": "display_data" } ], "source": [ "### Z= 0: raw\n", "### Z= 1: scaled by reference mean and sd. \n", "Z= 1\n", "\n", "Ncols= 2\n", "height= 400\n", "width= 1000\n", "\n", "data_groups= list(set(clusters_labels))\n", "titles= ['CL: {}'.format(x) for x in data_groups]\n", "\n", "trace_plot(data,data_groups,labels_pops,titles,Z= Z,Ncols= Ncols,width= width,height= height)" ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "The plot above shows us the average distances to target and reference centroids for every accession counted. The *x* values should be significantly lower for accessions from the target group, assuming that these were chosen for high degree of correlation across data sets. \n", "\n", "If other accessions also appear close to this group (presenting negative values if the `Z`is set to 1 and values are scaled by windows), then we have evidence of genetic similarity at those windows covered by these measurements. \n", "\n", "If the target group appears isolated across Kmeans groups. Then we can say that it is simply differentiated from the remainder. \n", "\n", "However, if some plots isolate target accessions while others do not, then we have evidence of genetic exchange. Either from other material present into a differentiated target source, or from a differentiated population into a common background still present among other references. \n", "\n", "If the structure prior chosen was that of jump of *Fst* between pop0 and the that population was then chosen as target, then this is a very rough example of what we might achieve given an introgression of wild material into a genetically divergent domesticated genepool. Of rice for example. \n", "\n", "## Other Analysis\n", "\n", "Below we study distribution of genetic distances by group in more depth. \n", "\n", "**..to be made prettier..**" ] }, { "cell_type": "code", "execution_count": 77, "metadata": {}, "outputs": [ { "name": "stdout", "output_type": "stream", "text": [ "(-3.8587207904733902, 4.68910999936198)\n" ] }, { "data": { "application/vnd.plotly.v1+json": { "config": { "linkText": "Export to plot.ly", "plotlyServerURL": "https://plot.ly", "showLink": true }, "data": [ { "fill": "tozeroy", "line": { "color": "blue", "width": 2 }, "mode": "lines", "name": "Ref mean", "type": "scatter", "uid": "4e4a9bc3-54d9-4bed-b527-8f42debdd848", "x": [ -0.2044545996084397, -0.20013026207776433, -0.19580592454708898, -0.1914815870164136, -0.18715724948573825, -0.18283291195506288, -0.17850857442438753, -0.17418423689371215, -0.1698598993630368, -0.16553556183236143, -0.16121122430168605, -0.1568868867710107, -0.15256254924033533, -0.14823821170965998, 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Ztarget and normal Dists.", "xaxis": { "range": [ -5, 20 ] } } }, "text/html": [ "" ], "text/vnd.plotly.v1+html": [ "" ] }, "metadata": {}, "output_type": "display_data" } ], "source": [ "### Distribution of feature space distances between control populations for even and biased scenarios\n", "from sklearn.neighbors import KernelDensity\n", "\n", "select_l1= range(11)\n", "selected1= [x for x in range(Distances.shape[0]) if data[Dr]['labels_l1'][x] + 1 in select_l1] \n", "\n", "Means= Ref_stats[selected1,0]\n", "Varsity= Ref_stats[selected1,1]\n", "\n", "target_mean= Ref_stats[selected1,2]\n", "target_var= Ref_stats[selected1,3]\n", "\n", "Normalized_mean = [(target_mean[x] - Means[x]) / Varsity[x] for x in range(len(selected1))]\n", "Normalized_mean= np.nan_to_num(Normalized_mean)\n", "Normalized_mean[Normalized_mean > 20] = 10\n", "Normalized_mean[Normalized_mean < -20] = -10\n", "\n", "\n", "max_vec= [Centre_distances[x][[y for y in Distances[x]].index(min(Distances[x]))] for x in selected1]\n", "max_vec= [(max_vec[x] - Means[x]) / Varsity[x] for x in range(len(selected1))]\n", "max_vec= np.nan_to_num(max_vec)\n", "max_vec[max_vec > 40] = 10\n", "max_vec[max_vec < -40] = -10\n", "\n", "max_dist= [max(Distances[x]) for x in selected1]\n", "max_dist= [(max_dist[x] - Means[x]) / Varsity[x] for x in range(len(selected1))]\n", "max_dist= np.nan_to_num(max_dist)\n", "max_dist[max_dist > 40] = 10\n", "max_dist[max_dist < -40] = -10\n", "\n", "\n", "###\n", "###\n", "\n", "X_plot = np.linspace(min(Means) - 2, max(Means) + 2, 1000)\n", "\n", "kde = KernelDensity(kernel='gaussian', bandwidth=0.05).fit(np.array(Means).reshape(-1,1))\n", "\n", "log_dens = kde.score_samples(X_plot.reshape(-1,1))\n", "\n", "fig_roost_dens= [go.Scatter(x=X_plot, y=np.exp(log_dens), \n", " mode='lines', fill='tozeroy', name= 'Ref mean',\n", " line=dict(color='blue', width=2))]\n", "\n", "## Change means and variances to those of selected clusters\n", "\n", "\n", "##\n", "\n", "X_plot = np.linspace(min(Normalized_mean) - 2, max(Normalized_mean) + 2, 1000)\n", "\n", "kde = KernelDensity(kernel='gaussian', bandwidth=0.05).fit(np.array(Normalized_mean).reshape(-1,1))\n", "\n", "log_dens = kde.score_samples(X_plot.reshape(-1,1))\n", "\n", "fig_roost_dens.append(go.Scatter(x=X_plot, y=np.exp(log_dens), \n", " mode='lines', fill='tozeroy', name= 'Target mean',\n", " line=dict(color='red', width=2)))\n", "\n", "\n", "Dists_mean= np.mean(Normalized_mean)\n", "Dists_std= np.std(Normalized_mean)\n", "\n", "from scipy.stats import norm\n", "\n", "Dists_endpoints= norm.interval(0.95, loc=Dists_mean, scale=Dists_std)\n", "print(Dists_endpoints)\n", "\n", "\n", "layout= go.Layout(\n", " title= '{}, Ztarget and normal Dists.'.format(ID),\n", " xaxis= dict(\n", " range= [-5,20]\n", " )\n", ")\n", "\n", "fig = go.Figure(data=fig_roost_dens, layout= layout)\n", "iplot(fig)" ] }, { "cell_type": "code", "execution_count": 78, "metadata": {}, "outputs": [ { "data": { 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0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ] } ], "layout": { "title": "alien III sim, Variation across target and reference clusters" } }, "text/html": [ "" ], "text/vnd.plotly.v1+html": [ "" ] }, "metadata": {}, "output_type": "display_data" } ], "source": [ "##\n", "X_plot = np.linspace(min(Varsity) - 2, max(Varsity) + 2, 1000)\n", "\n", "kde = KernelDensity(kernel='gaussian', bandwidth=0.05).fit(np.array(Varsity).reshape(-1,1))\n", "\n", "log_dens = kde.score_samples(X_plot.reshape(-1,1))\n", "\n", "fig_vars_dens = [go.Scatter(x=X_plot, y=np.exp(log_dens), \n", " mode='lines', fill='tozeroy', name= 'Ref SD',\n", " line=dict(color='blue', width=2))]\n", "\n", "\n", "##\n", "X_plot = np.linspace(min(target_var) - 2, max(target_var) + 2, 1000)\n", "\n", "kde = KernelDensity(kernel='gaussian', bandwidth=0.05).fit(np.array(target_var).reshape(-1,1))\n", "\n", "log_dens = kde.score_samples(X_plot.reshape(-1,1))\n", "\n", "fig_vars_dens.append(go.Scatter(x=X_plot, y=np.exp(log_dens), \n", " mode='lines', fill='tozeroy', name= 'target SD',\n", " line=dict(color='red', width=2)))\n", "\n", "##\n", "\n", "layout= go.Layout(\n", " title= '{}, Variation across target and reference clusters'.format(ID)\n", ")\n", "\n", "fig = go.Figure(data=fig_vars_dens, layout= layout)\n", "iplot(fig)" ] }, { "cell_type": "code", "execution_count": 79, "metadata": { "scrolled": false }, "outputs": [ { "data": { "application/vnd.plotly.v1+json": { "config": { "linkText": "Export to plot.ly", "plotlyServerURL": "https://plot.ly", "showLink": true }, "data": [ { "marker": { "color": "grey" }, "mode": "markers", "name": "<= 2", "type": "scatter", "uid": "41513e93-36e4-4c58-9da9-49dda0031bb5", "x": [ -15.129550156567936, -16.222832043253735, -13.616164680386026, -12.117661111404008, -14.397491433717391, -14.795193529770634, -12.53552267943318, -12.448942621180807, -10.325131822858832, -15.065587523814637, -9.07248868651971, -15.131550602128605, -12.123152598228971, 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mode= 'markers',\n", " name= '{} {}'.format(['<=','>'][i],threshold),\n", " marker= dict(\n", " color= ['grey','red'][i]\n", " )\n", " ) for i in coords_threshold.keys()\n", "]\n", "\n", "layout = go.Layout(\n", " title= '{}, {} % observations above threshold'.format(ID,prop_thresh),\n", " yaxis=dict(\n", " title='Distance',\n", " range= [-10,40]),\n", " xaxis=dict(\n", " title='PC1')\n", ")\n", "\n", "fig= go.Figure(data=fig_data, layout=layout)\n", "iplot(fig)" ] }, { "cell_type": "code", "execution_count": 80, "metadata": {}, "outputs": [ { "data": { "text/plain": [ "dict_keys([0, 1])" ] }, "execution_count": 80, "metadata": {}, "output_type": "execute_result" } ], "source": [ "coords_threshold.keys()" ] }, { "cell_type": "code", "execution_count": 83, "metadata": {}, "outputs": [ { "ename": "ModuleNotFoundError", "evalue": "No module named 'StructE_tools'", "output_type": "error", "traceback": [ "\u001b[1;31m---------------------------------------------------------------------------\u001b[0m", "\u001b[1;31mModuleNotFoundError\u001b[0m Traceback (most recent call last)", "\u001b[1;32mFailed to display Jupyter Widget of type interactive
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\n", " If you're reading this message in the Jupyter Notebook or JupyterLab Notebook, it may mean\n", " that the widgets JavaScript is still loading. If this message persists, it\n", " likely means that the widgets JavaScript library is either not installed or\n", " not enabled. See the Jupyter\n", " Widgets Documentation for setup instructions.\n", "
\n", "\n", " If you're reading this message in another frontend (for example, a static\n", " rendering on GitHub or NBViewer),\n", " it may mean that your frontend doesn't currently support widgets.\n", "
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