{ "cells": [ { "cell_type": "markdown", "metadata": {}, "source": [ "## Overview\n", "\n", "This notebook demonstrates how to use Monet to cluster scRNA-Seq data with the [**Galapagos** (Wagner, 2019)](https://www.biorxiv.org/content/10.1101/770388v3). This method relies on performing density-based clustering (using DBSCAN) directly on the t-SNE result. It's a very straightforward approach based on the somewhat obvious notion that t-SNE plots provide a great starting point for defining cell populations. The approach is limited in its ability to resolve closely related cell types that don't separate well in t-SNE plots, but it's a very simple and transparent approach that also tends to avoid overclustering." ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "### Setting up the notebook" ] }, { "cell_type": "code", "execution_count": 1, "metadata": {}, "outputs": [ { "data": { "text/html": [ "" ], "text/plain": [ "" ] }, "metadata": {}, "output_type": "display_data" }, { "data": { "text/html": [ " \n", " " ] }, "metadata": {}, "output_type": "display_data" } ], "source": [ "# change notebook width and font\n", "from IPython.core.display import HTML, display\n", "display(HTML(\"\"\"\"\"\"))\n", "\n", "from monet import util\n", "_LOGGER = util.configure_logger()\n", "\n", "# the following is to allow embedding of plotly figures\n", "from plotly.offline import init_notebook_mode\n", "import plotly.graph_objs as go\n", "init_notebook_mode(connected=True)" ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "### Step 1: Perform t-SNE\n", "\n", "Here, we perform t-SNE as in the previous tutorial." ] }, { "cell_type": "code", "execution_count": 2, "metadata": {}, "outputs": [ { "name": "stdout", "output_type": "stream", "text": [ "[2020-06-17 14:30:28] (monet.core.exp_matrix) INFO: Loaded expression matrix with 10681 cells and 16319 genes -- .npz format, 36.7 MB (hash: f9d7fac20f4de6184ff55388c267699a).\n", "[2020-06-17 14:30:28] (root) INFO: No Monet model provided, performing PCA to determine first 30principal components...\n", "[2020-06-17 14:30:28] (monet.latent.pca_model) INFO: Converted matrix to float32 data type.\n", "[2020-06-17 14:30:34] (monet.latent.pca_model) INFO: The PCA took 1.5 s.\n", "[2020-06-17 14:30:34] (monet.latent.pca_model) INFO: The fraction of variance explained by the 30 selected PCs is 33.4 %.\n", "[2020-06-17 14:30:34] (root) INFO: Performing t-SNE...\n", "[2020-06-17 14:31:10] (root) INFO: t-SNE took 35.6 s.\n" ] }, { 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\n", " \n", "
" ] }, "metadata": {}, "output_type": "display_data" }, { "data": { "text/plain": [ "3541" ] }, "execution_count": 2, "metadata": {}, "output_type": "execute_result" } ], "source": [ "import gc\n", "\n", "from monet import ExpMatrix\n", "from monet import visualize\n", "\n", "expression_file = 'data/v3_human_pbmc_10k_expression.npz'\n", "\n", "matrix = ExpMatrix.load_npz(expression_file)\n", "\n", "fig, tsne_scores = visualize.tsne_plot(matrix, title='PBMC data')\n", "# by default, tsne_plot() performs PCA with 30 principal components\n", "# this can be changed, e.g. to 50, using tsne_plot(..., num_components=50)\n", "\n", "fig.show()\n", "\n", "# free up memory\n", "del matrix; gc.collect()" ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "### Step 2: Clustering with *DBSCAN*\n", "\n", "We'll now apply DBSCAN ([Ester et al., 1996](https://www.aaai.org/Papers/KDD/1996/KDD96-037.pdf)), a density-based clustering algorithm, to the t-SNE result. DBSCAN has two parameters, called *Eps* and *MinPts* (called `min_samples` in scikit-learn). *Eps* defines a radius for finding neighbors, and *MinPts* defines the minimum number of points (here: cells) that need to fall within that radius for a cluster to be formed (some cells won't be assigned to clusters and will be considered \"outliers\"). You can read more about the DBSCAN algorithm in the [scikit-learn User Manual](https://scikit-learn.org/stable/modules/clustering.html#dbscan), and visit Naftali Harris' website to [look at some nice demonstrations of DBSCAN on various datasets](https://www.naftaliharris.com/blog/visualizing-dbscan-clustering/).\n", "\n", "In Monet, you specify *Eps* as the fraction of the diameter of the t-SNE plot, using the `eps_frac` parameter. Here, I use the term \"diameter\" to refer to the distance from the top-left corner to the bottom-right corner of the t-SNE plot. For example, setting `eps_frac=0.03` (the default), means that *Eps* will be set to 3% of the diamater. Furthermore, you specify `MinPts` as a fraction of the total number of cells available, using the `min_cells_frac` parameter. So setting `min_cells_frac=0.01` (the default) means that `MinPts` will be set to 1% of the total number of cells (rounded up to the next integer)." ] }, { "cell_type": "code", "execution_count": 3, "metadata": {}, "outputs": [ { "name": "stdout", "output_type": "stream", "text": [ "[2020-06-17 14:31:10] (monet.cluster.galapagos) INFO: Performing DBSCAN with minPts=107 and eps=6.57.\n", "[2020-06-17 14:31:11] (monet.cluster.galapagos) INFO: Clustering with DBSCAN took 0.9 s.\n" ] }, { "data": { "application/vnd.plotly.v1+json": { "config": { "plotlyServerURL": "https://plot.ly" }, "data": [ { "marker": { "color": "rgb(31, 119, 180)", "colorbar": { "len": 0.4, "outlinecolor": "black", "outlinewidth": 1, "separatethousands": true, "ticklen": 5, "ticks": "outside", "title": { "side": "right" } }, "colorscale": [ [ 0, "rgb(103,0,31)" ], [ 0.1, "rgb(178,24,43)" ], [ 0.2, "rgb(214,96,77)" ], [ 0.3, "rgb(244,165,130)" ], [ 0.4, "rgb(253,219,199)" ], [ 0.5, "rgb(247,247,247)" ], [ 0.6, 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\n", " \n", " \n", "
\n", " \n", "
" ] }, "metadata": {}, "output_type": "display_data" } ], "source": [ "from monet.visualize import plot_cells\n", "from monet.cluster import cluster_cells_dbscan\n", "\n", "eps_frac = 0.03\n", "min_cells_frac = 0.01\n", "\n", "cell_labels, clusters = cluster_cells_dbscan(\n", " tsne_scores, eps_frac=eps_frac, min_cells_frac=min_cells_frac)\n", "\n", "cluster_colors = {\n", " 'Outliers': 'lightgray',\n", "}\n", "\n", "fig = plot_cells(\n", " tsne_scores,\n", " cell_labels=cell_labels,\n", " cluster_order=clusters,\n", " cluster_colors=cluster_colors,\n", " width=850)\n", "\n", "fig.show()" ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "These clusters seem a little bit too broad. By tweaking the DBSCAN parameters, we can increase the clustering resolution." ] }, { "cell_type": "code", "execution_count": 4, "metadata": {}, "outputs": [ { "name": "stdout", "output_type": "stream", "text": [ "[2020-06-17 14:31:11] (monet.cluster.galapagos) INFO: Performing DBSCAN with minPts=75 and eps=5.04.\n", "[2020-06-17 14:31:12] (monet.cluster.galapagos) INFO: Clustering with DBSCAN took 1.0 s.\n" ] }, { "data": { "application/vnd.plotly.v1+json": { "config": { "plotlyServerURL": "https://plot.ly" }, "data": [ { "marker": { "color": "rgb(31, 119, 180)", "colorbar": { "len": 0.4, "outlinecolor": "black", "outlinewidth": 1, "separatethousands": true, "ticklen": 5, "ticks": "outside", "title": { "side": "right" } }, "colorscale": [ [ 0, "rgb(103,0,31)" ], [ 0.1, "rgb(178,24,43)" ], [ 0.2, "rgb(214,96,77)" ], [ 0.3, "rgb(244,165,130)" ], [ 0.4, "rgb(253,219,199)" ], [ 0.5, "rgb(247,247,247)" ], [ 0.6, "rgb(209,229,240)" ], [ 0.7, "rgb(146,197,222)" ], [ 0.8, "rgb(67,147,195)" ], 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\n", " \n", " \n", "
\n", " \n", "
" ] }, "metadata": {}, "output_type": "display_data" } ], "source": [ "from monet.visualize import plot_cells\n", "from monet.cluster import cluster_cells_dbscan\n", "\n", "#eps_frac = 0.03\n", "#min_cells_frac = 0.01\n", "\n", "eps_frac = 0.023\n", "min_cells_frac = 0.007\n", "\n", "cell_labels, clusters = cluster_cells_dbscan(\n", " tsne_scores, eps_frac=eps_frac, min_cells_frac=min_cells_frac)\n", "\n", "cluster_colors = {\n", " 'Outliers': 'lightgray',\n", "}\n", "\n", "fig = plot_cells(\n", " tsne_scores,\n", " cell_labels=cell_labels,\n", " cluster_order=clusters,\n", " cluster_colors=cluster_colors,\n", " width=850)\n", "\n", "fig.show()" ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "Now that we are happy with the clustering result, we can save it to disk." ] }, { "cell_type": "code", "execution_count": 5, "metadata": {}, "outputs": [ { "name": "stdout", "output_type": "stream", "text": [ "[2020-06-17 14:31:13] (monet.util.files) INFO: Saved labels for 10681 cells to tab-delimited plain-text file.\n" ] } ], "source": [ "from monet import util\n", "\n", "util.save_cell_labels(cell_labels, 'output/v3_human_pbmc_10k_clustering.tsv')" ] } ], "metadata": { "kernelspec": { "display_name": "Python 3", "language": "python", "name": "python3" }, "language_info": { "codemirror_mode": { "name": "ipython", "version": 3 }, "file_extension": ".py", "mimetype": "text/x-python", "name": "python", "nbconvert_exporter": "python", "pygments_lexer": "ipython3", "version": "3.8.2" } }, "nbformat": 4, "nbformat_minor": 4 }