############################################################################# # Full Imports from __future__ import division import math import random """ This is a pure Python implementation of the K-means Clustering algorithmn. The original can be found here: http://pandoricweb.tumblr.com/post/8646701677/python-implementation-of-the-k-means-clustering I have refactored the code and added comments to aid in readability. After reading through this code you should understand clearly how K-means works. If not, feel free to email me with questions and suggestions. (iandanforth at gmail) This script specifically avoids using numpy or other more obscure libraries. It is meant to be *clear* not fast. I have also added integration with the plot.ly plotting library. So you can see the clusters found by this algorithm. To install run: ``` pip install plotly ``` This script uses an offline plotting mode and will store and open plots locally. To store and share plots online sign up for a plotly API key at https://plot.ly. """ plotly = False try: import plotly from plotly.graph_objs import Scatter, Scatter3d, Layout except ImportError: print "INFO: Plotly is not installed, plots will not be generated." def main(): # How many points are in our dataset? num_points = 20 # For each of those points how many dimensions do they have? # Note: Plotting will only work in two or three dimensions dimensions = 2 # Bounds for the values of those points in each dimension lower = 0 upper = 200 # The K in k-means. How many clusters do we assume exist? # - Must be less than num_points num_clusters = 3 # When do we say the process has 'converged' and stop updating clusters? cutoff = 0.2 # Generate some points to cluster # Note: If you want to use your own data, set points equal to it here. points = [ makeRandomPoint(dimensions, lower, upper) for i in xrange(num_points) ] # Cluster those data! iteration_count = 20 best_clusters = iterative_kmeans( points, num_clusters, cutoff, iteration_count ) # Print our best clusters for i, c in enumerate(best_clusters): for p in c.points: print " Cluster: ", i, "\t Point :", p # Display clusters using plotly for 2d data if dimensions in [2, 3] and plotly: print "Plotting points, launching browser ..." plotClusters(best_clusters, dimensions) ############################################################################# # K-means Methods def iterative_kmeans(points, num_clusters, cutoff, iteration_count): """ K-means isn't guaranteed to get the best answer the first time. It might get stuck in a "local minimum." Here we run kmeans() *iteration_count* times to increase the chance of getting a good answer. Returns the best set of clusters found. """ print "Running K-means %d times to find best clusters ..." % iteration_count candidate_clusters = [] errors = [] for _ in range(iteration_count): clusters = kmeans(points, num_clusters, cutoff) error = calculateError(clusters) candidate_clusters.append(clusters) errors.append(error) highest_error = max(errors) lowest_error = min(errors) print "Lowest error found: %.2f (Highest: %.2f)" % ( lowest_error, highest_error ) ind_of_lowest_error = errors.index(lowest_error) best_clusters = candidate_clusters[ind_of_lowest_error] return best_clusters def kmeans(points, k, cutoff): # Pick out k random points to use as our initial centroids initial_centroids = random.sample(points, k) # Create k clusters using those centroids # Note: Cluster takes lists, so we wrap each point in a list here. clusters = [Cluster([p]) for p in initial_centroids] # Loop through the dataset until the clusters stabilize loopCounter = 0 while True: # Create a list of lists to hold the points in each cluster lists = [[] for _ in clusters] clusterCount = len(clusters) # Start counting loops loopCounter += 1 # For every point in the dataset ... for p in points: # Get the distance between that point and the centroid of the first # cluster. smallest_distance = getDistance(p, clusters[0].centroid) # Set the cluster this point belongs to clusterIndex = 0 # For the remainder of the clusters ... for i in range(1, clusterCount): # calculate the distance of that point to each other cluster's # centroid. distance = getDistance(p, clusters[i].centroid) # If it's closer to that cluster's centroid update what we # think the smallest distance is if distance < smallest_distance: smallest_distance = distance clusterIndex = i # After finding the cluster the smallest distance away # set the point to belong to that cluster lists[clusterIndex].append(p) # Set our biggest_shift to zero for this iteration biggest_shift = 0.0 # For each cluster ... for i in range(clusterCount): # Calculate how far the centroid moved in this iteration shift = clusters[i].update(lists[i]) # Keep track of the largest move from all cluster centroid updates biggest_shift = max(biggest_shift, shift) # Remove empty clusters clusters = [c for c in clusters if len(c.points) != 0] # If the centroids have stopped moving much, say we're done! if biggest_shift < cutoff: print "Converged after %s iterations" % loopCounter break return clusters ############################################################################# # Classes class Point(object): ''' A point in n dimensional space ''' def __init__(self, coords): ''' coords - A list of values, one per dimension ''' self.coords = coords self.n = len(coords) def __repr__(self): return str(self.coords) class Cluster(object): ''' A set of points and their centroid ''' def __init__(self, points): ''' points - A list of point objects ''' if len(points) == 0: raise Exception("ERROR: empty cluster") # The points that belong to this cluster self.points = points # The dimensionality of the points in this cluster self.n = points[0].n # Assert that all points are of the same dimensionality for p in points: if p.n != self.n: raise Exception("ERROR: inconsistent dimensions") # Set up the initial centroid (this is usually based off one point) self.centroid = self.calculateCentroid() def __repr__(self): ''' String representation of this object ''' return str(self.points) def update(self, points): ''' Returns the distance between the previous centroid and the new after recalculating and storing the new centroid. Note: Initially we expect centroids to shift around a lot and then gradually settle down. ''' old_centroid = self.centroid self.points = points # Return early if we have no points, this cluster will get # cleaned up (removed) in the outer loop. if len(self.points) == 0: return 0 self.centroid = self.calculateCentroid() shift = getDistance(old_centroid, self.centroid) return shift def calculateCentroid(self): ''' Finds a virtual center point for a group of n-dimensional points ''' numPoints = len(self.points) # Get a list of all coordinates in this cluster coords = [p.coords for p in self.points] # Reformat that so all x's are together, all y'z etc. unzipped = zip(*coords) # Calculate the mean for each dimension centroid_coords = [math.fsum(dList)/numPoints for dList in unzipped] return Point(centroid_coords) def getTotalDistance(self): ''' Return the sum of all squared Euclidean distances between each point in the cluster and the cluster's centroid. ''' sumOfDistances = 0.0 for p in self.points: sumOfDistances += getDistance(p, self.centroid) return sumOfDistances ############################################################################# # Helper Methods def getDistance(a, b): ''' Squared Euclidean distance between two n-dimensional points. https://en.wikipedia.org/wiki/Euclidean_distance#n_dimensions Note: This can be very slow and does not scale well ''' if a.n != b.n: raise Exception("ERROR: non comparable points") accumulatedDifference = 0.0 for i in range(a.n): squareDifference = pow((a.coords[i]-b.coords[i]), 2) accumulatedDifference += squareDifference return accumulatedDifference def makeRandomPoint(n, lower, upper): ''' Returns a Point object with n dimensions and values between lower and upper in each of those dimensions ''' p = Point([random.uniform(lower, upper) for _ in range(n)]) return p def calculateError(clusters): ''' Return the average squared distance between each point and its cluster centroid. This is also known as the "distortion cost." ''' accumulatedDistances = 0 num_points = 0 for cluster in clusters: num_points += len(cluster.points) accumulatedDistances += cluster.getTotalDistance() error = accumulatedDistances / num_points return error def plotClusters(data, dimensions): ''' This uses the plotly offline mode to create a local HTML file. This should open your default web browser. ''' if dimensions not in [2, 3]: raise Exception("Plots are only available for 2 and 3 dimensional data") # Convert data into plotly format. traceList = [] for i, c in enumerate(data): # Get a list of x,y coordinates for the points in this cluster. cluster_data = [] for point in c.points: cluster_data.append(point.coords) trace = {} centroid = {} if dimensions == 2: # Convert our list of x,y's into an x list and a y list. trace['x'], trace['y'] = zip(*cluster_data) trace['mode'] = 'markers' trace['marker'] = {} trace['marker']['symbol'] = i trace['marker']['size'] = 12 trace['name'] = "Cluster " + str(i) traceList.append(Scatter(**trace)) # Centroid (A trace of length 1) centroid['x'] = [c.centroid.coords[0]] centroid['y'] = [c.centroid.coords[1]] centroid['mode'] = 'markers' centroid['marker'] = {} centroid['marker']['symbol'] = i centroid['marker']['color'] = 'rgb(200,10,10)' centroid['name'] = "Centroid " + str(i) traceList.append(Scatter(**centroid)) else: symbols = [ "circle", "square", "diamond", "circle-open", "square-open", "diamond-open", "cross", "x" ] symbol_count = len(symbols) if i > symbol_count: print "Warning: Not enough marker symbols to go around" # Convert our list of x,y,z's separate lists. trace['x'], trace['y'], trace['z'] = zip(*cluster_data) trace['mode'] = 'markers' trace['marker'] = {} trace['marker']['symbol'] = symbols[i] trace['marker']['size'] = 12 trace['name'] = "Cluster " + str(i) traceList.append(Scatter3d(**trace)) # Centroid (A trace of length 1) centroid['x'] = [c.centroid.coords[0]] centroid['y'] = [c.centroid.coords[1]] centroid['z'] = [c.centroid.coords[2]] centroid['mode'] = 'markers' centroid['marker'] = {} centroid['marker']['symbol'] = symbols[i] centroid['marker']['color'] = 'rgb(200,10,10)' centroid['name'] = "Centroid " + str(i) traceList.append(Scatter3d(**centroid)) title = "K-means clustering with %s clusters" % str(len(data)) plotly.offline.plot({ "data": traceList, "layout": Layout(title=title) }) if __name__ == "__main__": main()