diff options
Diffstat (limited to 'src/Nerve_GIC/utilities/km.py')
| -rwxr-xr-x | src/Nerve_GIC/utilities/km.py | 390 |
1 files changed, 390 insertions, 0 deletions
diff --git a/src/Nerve_GIC/utilities/km.py b/src/Nerve_GIC/utilities/km.py new file mode 100755 index 00000000..53024aab --- /dev/null +++ b/src/Nerve_GIC/utilities/km.py @@ -0,0 +1,390 @@ +from __future__ import division +import numpy as np +from collections import defaultdict +import json +import itertools +from sklearn import cluster, preprocessing, manifold +from datetime import datetime +import sys + +class KeplerMapper(object): + # With this class you can build topological networks from (high-dimensional) data. + # + # 1) Fit a projection/lens/function to a dataset and transform it. + # For instance "mean_of_row(x) for x in X" + # 2) Map this projection with overlapping intervals/hypercubes. + # Cluster the points inside the interval + # (Note: we cluster on the inverse image/original data to lessen projection loss). + # If two clusters/nodes have the same members (due to the overlap), then: + # connect these with an edge. + # 3) Visualize the network using HTML and D3.js. + # + # functions + # --------- + # fit_transform: Create a projection (lens) from a dataset + # map: Apply Mapper algorithm on this projection and build a simplicial complex + # visualize: Turns the complex dictionary into a HTML/D3.js visualization + + def __init__(self, verbose=2): + self.verbose = verbose + + self.chunk_dist = [] + self.overlap_dist = [] + self.d = [] + self.nr_cubes = 0 + self.overlap_perc = 0 + self.clusterer = False + + def fit_transform(self, X, projection="sum", scaler=preprocessing.MinMaxScaler()): + # Creates the projection/lens from X. + # + # Input: X. Input features as a numpy array. + # Output: projected_X. original data transformed to a projection (lens). + # + # parameters + # ---------- + # projection: Projection parameter is either a string, + # a scikit class with fit_transform, like manifold.TSNE(), + # or a list of dimension indices. + # scaler: if None, do no scaling, else apply scaling to the projection + # Default: Min-Max scaling + + self.scaler = scaler + self.projection = str(projection) + + # Detect if projection is a class (for scikit-learn) + #if str(type(projection))[1:6] == "class": #TODO: de-ugly-fy + # reducer = projection + # if self.verbose > 0: + # try: + # projection.set_params(**{"verbose":self.verbose}) + # except: + # pass + # print("\n..Projecting data using: \n\t%s\n"%str(projection)) + # X = reducer.fit_transform(X) + + # Detect if projection is a string (for standard functions) + if isinstance(projection, str): + if self.verbose > 0: + print("\n..Projecting data using: %s"%(projection)) + # Stats lenses + if projection == "sum": # sum of row + X = np.sum(X, axis=1).reshape((X.shape[0],1)) + if projection == "mean": # mean of row + X = np.mean(X, axis=1).reshape((X.shape[0],1)) + if projection == "median": # mean of row + X = np.median(X, axis=1).reshape((X.shape[0],1)) + if projection == "max": # max of row + X = np.max(X, axis=1).reshape((X.shape[0],1)) + if projection == "min": # min of row + X = np.min(X, axis=1).reshape((X.shape[0],1)) + if projection == "std": # std of row + X = np.std(X, axis=1).reshape((X.shape[0],1)) + + if projection == "dist_mean": # Distance of x to mean of X + X_mean = np.mean(X, axis=0) + X = np.sum(np.sqrt((X - X_mean)**2), axis=1).reshape((X.shape[0],1)) + + # Detect if projection is a list (with dimension indices) + if isinstance(projection, list): + if self.verbose > 0: + print("\n..Projecting data using: %s"%(str(projection))) + X = X[:,np.array(projection)] + + # Scaling + if scaler is not None: + if self.verbose > 0: + print("\n..Scaling with: %s\n"%str(scaler)) + X = scaler.fit_transform(X) + + return X + + def map(self, projected_X, inverse_X=None, clusterer=cluster.DBSCAN(eps=0.5,min_samples=3), nr_cubes=10, overlap_perc=0.1): + # This maps the data to a simplicial complex. Returns a dictionary with nodes and links. + # + # Input: projected_X. A Numpy array with the projection/lens. + # Output: complex. A dictionary with "nodes", "links" and "meta information" + # + # parameters + # ---------- + # projected_X projected_X. A Numpy array with the projection/lens. Required. + # inverse_X Numpy array or None. If None then the projection itself is used for clustering. + # clusterer Scikit-learn API compatible clustering algorithm. Default: DBSCAN + # nr_cubes Int. The number of intervals/hypercubes to create. + # overlap_perc Float. The percentage of overlap "between" the intervals/hypercubes. + + start = datetime.now() + + # Helper function + def cube_coordinates_all(nr_cubes, nr_dimensions): + # Helper function to get origin coordinates for our intervals/hypercubes + # Useful for looping no matter the number of cubes or dimensions + # Example: if there are 4 cubes per dimension and 3 dimensions + # return the bottom left (origin) coordinates of 64 hypercubes, + # as a sorted list of Numpy arrays + # TODO: elegance-ify... + l = [] + for x in range(nr_cubes): + l += [x] * nr_dimensions + return [np.array(list(f)) for f in sorted(set(itertools.permutations(l,nr_dimensions)))] + + nodes = defaultdict(list) + links = defaultdict(list) + complex = {} + self.nr_cubes = nr_cubes + self.clusterer = clusterer + self.overlap_perc = overlap_perc + + if self.verbose > 0: + print("Mapping on data shaped %s using dimensions\n"%(str(projected_X.shape))) + + # If inverse image is not provided, we use the projection as the inverse image (suffer projection loss) + if inverse_X is None: + inverse_X = projected_X + + # We chop up the min-max column ranges into 'nr_cubes' parts + self.chunk_dist = (np.max(projected_X, axis=0) - np.min(projected_X, axis=0))/nr_cubes + + # We calculate the overlapping windows distance + self.overlap_dist = self.overlap_perc * self.chunk_dist + + # We find our starting point + self.d = np.min(projected_X, axis=0) + + # Use a dimension index array on the projected X + # (For now this uses the entire dimensionality, but we keep for experimentation) + di = np.array([x for x in range(projected_X.shape[1])]) + + # Prefix'ing the data with ID's + ids = np.array([x for x in range(projected_X.shape[0])]) + projected_X = np.c_[ids,projected_X] + inverse_X = np.c_[ids,inverse_X] + + # Subdivide the projected data X in intervals/hypercubes with overlap + if self.verbose > 0: + total_cubes = len(cube_coordinates_all(nr_cubes,projected_X.shape[1])) + print("Creating %s hypercubes."%total_cubes) + + for i, coor in enumerate(cube_coordinates_all(nr_cubes,di.shape[0])): + # Slice the hypercube + hypercube = projected_X[ np.invert(np.any((projected_X[:,di+1] >= self.d[di] + (coor * self.chunk_dist[di])) & + (projected_X[:,di+1] < self.d[di] + (coor * self.chunk_dist[di]) + self.chunk_dist[di] + self.overlap_dist[di]) == False, axis=1 )) ] + + if self.verbose > 1: + print("There are %s points in cube_%s / %s with starting range %s"% + (hypercube.shape[0],i,total_cubes,self.d[di] + (coor * self.chunk_dist[di]))) + + # If at least one sample inside the hypercube + if hypercube.shape[0] > 0: + # Cluster the data point(s) in the cube, skipping the id-column + # Note that we apply clustering on the inverse image (original data samples) that fall inside the cube. + inverse_x = inverse_X[[int(nn) for nn in hypercube[:,0]]] + + clusterer.fit(inverse_x[:,1:]) + + if self.verbose > 1: + print("Found %s clusters in cube_%s\n"%(np.unique(clusterer.labels_[clusterer.labels_ > -1]).shape[0],i)) + + #Now for every (sample id in cube, predicted cluster label) + for a in np.c_[hypercube[:,0],clusterer.labels_]: + if a[1] != -1: #if not predicted as noise + cluster_id = str(coor[0])+"_"+str(i)+"_"+str(a[1])+"_"+str(coor)+"_"+str(self.d[di] + (coor * self.chunk_dist[di])) # TODO: de-rudimentary-ify + nodes[cluster_id].append( int(a[0]) ) # Append the member id's as integers + else: + if self.verbose > 1: + print("Cube_%s is empty.\n"%(i)) + + # Create links when clusters from different hypercubes have members with the same sample id. + candidates = itertools.combinations(nodes.keys(),2) + for candidate in candidates: + # if there are non-unique members in the union + if len(nodes[candidate[0]]+nodes[candidate[1]]) != len(set(nodes[candidate[0]]+nodes[candidate[1]])): + links[candidate[0]].append( candidate[1] ) + + # Reporting + if self.verbose > 0: + nr_links = 0 + for k in links: + nr_links += len(links[k]) + print("\ncreated %s edges and %s nodes in %s."%(nr_links,len(nodes),str(datetime.now()-start))) + + complex["nodes"] = nodes + complex["links"] = links + complex["meta"] = self.projection + + return complex + + def visualize(self, complex, color_function="", path_html="mapper_visualization_output.html", title="My Data", + graph_link_distance=30, graph_gravity=0.1, graph_charge=-120, custom_tooltips=None, width_html=0, + height_html=0, show_tooltips=True, show_title=True, show_meta=True, res=0,gain=0,minimum=0,maximum=0): + # Turns the dictionary 'complex' in a html file with d3.js + # + # Input: complex. Dictionary (output from calling .map()) + # Output: a HTML page saved as a file in 'path_html'. + # + # parameters + # ---------- + # color_function string. Not fully implemented. Default: "" (distance to origin) + # path_html file path as string. Where to save the HTML page. + # title string. HTML page document title and first heading. + # graph_link_distance int. Edge length. + # graph_gravity float. "Gravity" to center of layout. + # graph_charge int. charge between nodes. + # custom_tooltips None or Numpy Array. You could use "y"-label array for this. + # width_html int. Width of canvas. Default: 0 (full width) + # height_html int. Height of canvas. Default: 0 (full height) + # show_tooltips bool. default:True + # show_title bool. default:True + # show_meta bool. default:True + + # Format JSON for D3 graph + json_s = {} + json_s["nodes"] = [] + json_s["links"] = [] + k2e = {} # a key to incremental int dict, used for id's when linking + + for e, k in enumerate(complex["nodes"]): + # Tooltip and node color formatting, TODO: de-mess-ify + if custom_tooltips is not None: + tooltip_s = "<h2>Cluster %s</h2>"%k + " ".join(str(custom_tooltips[complex["nodes"][k][0]]).split(" ")) + if maximum == minimum: + tooltip_i = 0 + else: + tooltip_i = int(30*(custom_tooltips[complex["nodes"][k][0]]-minimum)/(maximum-minimum)) + json_s["nodes"].append({"name": str(k), "tooltip": tooltip_s, "group": 2 * int(np.log(complex["nodes"][k][2])), "color": tooltip_i}) + else: + tooltip_s = "<h2>Cluster %s</h2>Contains %s members."%(k,len(complex["nodes"][k])) + json_s["nodes"].append({"name": str(k), "tooltip": tooltip_s, "group": 2 * int(np.log(len(complex["nodes"][k]))), "color": str(k.split("_")[0])}) + k2e[k] = e + for k in complex["links"]: + for link in complex["links"][k]: + json_s["links"].append({"source": k2e[k], "target":k2e[link],"value":1}) + + # Width and height of graph in HTML output + if width_html == 0: + width_css = "100%" + width_js = 'document.getElementById("holder").offsetWidth-20' + else: + width_css = "%spx" % width_html + width_js = "%s" % width_html + if height_html == 0: + height_css = "100%" + height_js = 'document.getElementById("holder").offsetHeight-20' + else: + height_css = "%spx" % height_html + height_js = "%s" % height_html + + # Whether to show certain UI elements or not + if show_tooltips == False: + tooltips_display = "display: none;" + else: + tooltips_display = "" + + if show_meta == False: + meta_display = "display: none;" + else: + meta_display = "" + + if show_title == False: + title_display = "display: none;" + else: + title_display = "" + + with open(path_html,"wb") as outfile: + html = """<!DOCTYPE html> + <meta charset="utf-8"> + <meta name="generator" content="KeplerMapper"> + <title>%s | KeplerMapper</title> + <link href='https://fonts.googleapis.com/css?family=Roboto:700,300' rel='stylesheet' type='text/css'> + <style> + * {margin: 0; padding: 0;} + html { height: 100%%;} + body {background: #111; height: 100%%; font: 100 16px Roboto, Sans-serif;} + .link { stroke: #999; stroke-opacity: .333; } + .divs div { border-radius: 50%%; background: red; position: absolute; } + .divs { position: absolute; top: 0; left: 0; } + #holder { position: relative; width: %s; height: %s; background: #111; display: block;} + h1 { %s padding: 20px; color: #fafafa; text-shadow: 0px 1px #000,0px -1px #000; position: absolute; font: 300 30px Roboto, Sans-serif;} + h2 { text-shadow: 0px 1px #000,0px -1px #000; font: 700 16px Roboto, Sans-serif;} + .meta { position: absolute; opacity: 0.9; width: 220px; top: 80px; left: 20px; display: block; %s background: #000; line-height: 25px; color: #fafafa; border: 20px solid #000; font: 100 16px Roboto, Sans-serif;} + div.tooltip { position: absolute; width: 380px; display: block; %s padding: 20px; background: #000; border: 0px; border-radius: 3px; pointer-events: none; z-index: 999; color: #FAFAFA;} + } + </style> + <body> + <div id="holder"> + <h1>%s</h1> + <p class="meta"> + <b>Lens</b><br>%s<br><br> + <b>Length of intervals</b><br>%s<br><br> + <b>Overlap percentage</b><br>%s%%<br><br> + <b>Color Function</b><br>%s + </p> + </div> + <script src="https://cdnjs.cloudflare.com/ajax/libs/d3/3.5.5/d3.min.js"></script> + <script> + var width = %s, + height = %s; + var color = d3.scale.ordinal() + .domain(["0","1", "2", "3", "4", "5", "6", "7", "8", "9", "10", "11", "12", "13","14","15","16","17","18","19","20","21","22","23","24","25","26","27","28","29","30"]) + .range(["#FF0000","#FF1400","#FF2800","#FF3c00","#FF5000","#FF6400","#FF7800","#FF8c00","#FFa000","#FFb400","#FFc800","#FFdc00","#FFf000","#fdff00","#b0ff00","#65ff00","#17ff00","#00ff36","#00ff83","#00ffd0","#00e4ff","#00c4ff","#00a4ff","#00a4ff","#0084ff","#0064ff","#0044ff","#0022ff","#0002ff","#0100ff","#0300ff","#0500ff"]); + var force = d3.layout.force() + .charge(%s) + .linkDistance(%s) + .gravity(%s) + .size([width, height]); + var svg = d3.select("#holder").append("svg") + .attr("width", width) + .attr("height", height); + + var div = d3.select("#holder").append("div") + .attr("class", "tooltip") + .style("opacity", 0.0); + + var divs = d3.select('#holder').append('div') + .attr('class', 'divs') + .attr('style', function(d) { return 'overflow: hidden; width: ' + width + 'px; height: ' + height + 'px;'; }); + + graph = %s; + force + .nodes(graph.nodes) + .links(graph.links) + .start(); + var link = svg.selectAll(".link") + .data(graph.links) + .enter().append("line") + .attr("class", "link") + .style("stroke-width", function(d) { return Math.sqrt(d.value); }); + var node = divs.selectAll('div') + .data(graph.nodes) + .enter().append('div') + .on("mouseover", function(d) { + div.transition() + .duration(200) + .style("opacity", .9); + div .html(d.tooltip + "<br/>") + .style("left", (d3.event.pageX + 100) + "px") + .style("top", (d3.event.pageY - 28) + "px"); + }) + .on("mouseout", function(d) { + div.transition() + .duration(500) + .style("opacity", 0); + }) + .call(force.drag); + + node.append("title") + .text(function(d) { return d.name; }); + force.on("tick", function() { + link.attr("x1", function(d) { return d.source.x; }) + .attr("y1", function(d) { return d.source.y; }) + .attr("x2", function(d) { return d.target.x; }) + .attr("y2", function(d) { return d.target.y; }); + node.attr("cx", function(d) { return d.x; }) + .attr("cy", function(d) { return d.y; }) + .attr('style', function(d) { return 'width: ' + (d.group * 2) + 'px; height: ' + (d.group * 2) + 'px; ' + 'left: '+(d.x-(d.group))+'px; ' + 'top: '+(d.y-(d.group))+'px; background: '+color(d.color)+'; box-shadow: 0px 0px 3px #111; box-shadow: 0px 0px 33px '+color(d.color)+', inset 0px 0px 5px rgba(0, 0, 0, 0.2);'}) + ; + }); + </script>"""%(title,width_css, height_css, title_display, meta_display, tooltips_display, title,complex["meta"],res,gain*100,color_function,width_js,height_js,graph_charge,graph_link_distance,graph_gravity,json.dumps(json_s)) + outfile.write(html.encode("utf-8")) + if self.verbose > 0: + print("\nWrote d3.js graph to '%s'"%path_html) |