After reading this post here about duplicate values in k-means clustering, I realized I cannot simply use unique points for clustering.
https://stats.stackexchange.com/questions/152808/do-i-need-to-remove-duplicate-objects-for-cluster-analysis-of-objects
I have over 10000000 points, though only 8000 unique ones. Therefore, I initially thought that for speeding it up, I’d use unique points only. Seems like this is a bad idea.
To keep computational time down, this post suggests to add weights to each point. How can this be implemented in python?
Using K-Means package from Scikit library, clustering is performed for number of clusters as 11 here.
The array Y contains data that has been inserted as weights where as X has actual points that need to be clustered.
from sklearn.cluster import KMeans #For applying KMeans
##--------------------------------------------------------------------------------------------------------##
#Starting k-means clustering
kmeans = KMeans(n_clusters=11, n_init=10, random_state=0, max_iter=1000)
#Running k-means clustering and enter the ‘X’ array as the input coordinates and ‘Y’
array as sample weights
wt_kmeansclus = kmeans.fit(X,sample_weight = Y)
predicted_kmeans = kmeans.predict(X, sample_weight = Y)
#Storing results obtained together with respective city-state labels
kmeans_results =
pd.DataFrame({"label":data_label,"kmeans_cluster":predicted_kmeans+1})
#Printing count of points alloted to each cluster and then the cluster centers
print(kmeans_results.kmeans_cluster.value_counts())
I think the post suggests to work with weighted average.
You can create a new dataset out of the old one, and the new dataset will have an extra attribute for each point, it's frequency (i.e it's weight).
Every time you calculate the new centroid for each cluster, take the weighted average of all points of that cluster (instead of calculating the simple mean of all points).
PS: Manipulating the dataset is dangerous. I'd parallelize the code if computational cost is a major factor.
Related
I am new to clustering algorithms. I have a movie dataset with more than 200 movies and more than 100 users. All the users rated at least one movie. A value of 1 for good, 0 for bad and blank if the annotator has no choice.
I want to cluster similar users based on their reviews with the idea that users who rated similar movies as good might also rate a movie as good which was not rated by any user in the same cluster. I used cosine similarity measure with k-means clustering. The csv file is shown below:
UserID M1 M2 M3 ............... M200
user1 1 0 0
user2 0 1 1
user3 1 1 1
.
.
.
.
user100 1 0 1
The problem i am facing is that i don't know exactly how to find most optimal number of clusters for this dataset and then draw a graph of those clusters. I am clustering them with k-means and there is no issue with that but i want to know the most stable or optimal number of clusters for this dataset.
I will appreciate some help..
Clustering is part of the unsupervised machine learning methods. Contrary to supervised methods, in unsupervised methods there is not a straightforward approach to determine the "best" model among a set of models that were trained on a certain dataset.
Nonetheless, there are some quantitative measures. Most of them are based on the concept of "how much are the points in a certain cluster more similar between themself than with the points in different clusters?" I suggest you take a look at the scikit-learn documentation on clustering evaluation. Take a look at all the techniques that do not require labels_true (i.e. at all the unsupervised techniques).
Once you have a quantitative measure about the "goodness" of a certain clustering, you usually observe how this quantity evolves while changing the number of clusters; this approach is called Elbow Method.
Here is some code that uses K-Means algorithm with all possible K values from 2 to 30, calculates various scores for each K value, and stores all scores in a DataFrame.
seed_random = 1
fitted_kmeans = {}
labels_kmeans = {}
df_scores = []
k_values_to_try = np.arange(2, 31)
for n_clusters in k_values_to_try:
#Perform clustering.
kmeans = KMeans(n_clusters=n_clusters,
random_state=seed_random,
)
labels_clusters = kmeans.fit_predict(X)
#Insert fitted model and calculated cluster labels in dictionaries,
#for further reference.
fitted_kmeans[n_clusters] = kmeans
labels_kmeans[n_clusters] = labels_clusters
#Calculate various scores, and save them for further reference.
silhouette = silhouette_score(X, labels_clusters)
ch = calinski_harabasz_score(X, labels_clusters)
db = davies_bouldin_score(X, labels_clusters)
tmp_scores = {"n_clusters": n_clusters,
"silhouette_score": silhouette,
"calinski_harabasz_score": ch,
"davies_bouldin_score": db,
}
df_scores.append(tmp_scores)
#Create a DataFrame of clustering scores, using `n_clusters` as index, for easier plotting.
df_scores = pd.DataFrame(df_scores)
df_scores.set_index("n_clusters", inplace=True)
This code assumes that all your numerical features are in a DataFrame X.
All clustering performance metrics are stored in df_scores DataFrame.
You can easily use the elbow method by plotting columns from df_scores; for instance, if you want to see the elbow graph of the Silhouette Score, you can use df_scores["silhouette_score"].plot().
It's pretty common to start with visualizing the data. Sometimes it is obvious graphically, that there are N classes/clusters. Other times you may be able to see if it's <5, <10, or <100 classes. It depends on your data really.
Another common approach is to use the Bayesian Information Criterium (BIC) or the Akaike Information Criterium (AIC).
The main takeaway is that a lot of classification-problems can yield optimal results if e.g. you have as many classes as you have inputs: every input fits perfectly in its own cluster.
BIC/AIC penalizes a high-dimensional solution, from the insight that simpler models are often better/more stable. I.e. they generalize better and overfit less.
From wikipedia:
When fitting models, it is possible to increase the likelihood by adding parameters, but doing so may result in overfitting. Both BIC and AIC attempt to resolve this problem by introducing a penalty term for the number of parameters in the model; the penalty term is larger in BIC than in AIC.
You can use the Gini index as a metric, and then do a Grid Search based on this metric. Tell me if you have any other question.
You could use the elbow method.
The base meaning of K-Means is to cluster the data points such that the total "within-cluster sum of squares (a.k.a WSS)" is minimized. Hence you can vary the k from 2 to n, while also calculating its WSS at each point; plot the graph and the curve. Find the location of the bend and that can be considered as an optimal number of clusters !
I am currently doing some clustering based on words embeddings, and I am using some methods (elbow and David-Boulding) to determine the optimal number of clusters I should consider. In addition, I consider the silhouette measure. If I understood it correctly, it is a measure of the correct match of the data with the correct cluster, ranging from - 1 (mismatch) to 1 (correct match).
Using kmeans clustering, I obtain a silhouette score oscillating between 0.5 and 0.55. So according to the silhouette, the elbow method (that is a bit too smooth but it might because I have a lot of data) and the David-Bouldin index, I should consider 5 clusters. However, I don't know if 0.5 can be considered as a good score? I added the graphs of the different measures I made, the function I used to generate them (found online) as well as the clustering obtained.
def check_clustering(X, K):
sse,db,slc = {}, {}, {}
for k in range(2, K):
# seed of 10 for reproducibility.
kmeans = KMeans(n_clusters=k, max_iter=1000,random_state=SEED).fit(X)
if k == 3: labels = kmeans.labels_
clusters = kmeans.labels_
sse[k] = kmeans.inertia_ # Inertia: Sum of distances of samples to their closest cluster center
db[k] = davies_bouldin_score(X,clusters)
slc[k] = silhouette_score(X,clusters)
plt.figure(figsize=(15,10))
plt.plot(list(sse.keys()), list(sse.values()))
plt.xlabel("Number of cluster")
plt.ylabel("SSE")
plt.show()
plt.figure(figsize=(15,10))
plt.plot(list(db.keys()), list(db.values()))
plt.xlabel("Number of cluster")
plt.ylabel("Davies-Bouldin values")
plt.show()
plt.figure(figsize=(15,10))
plt.plot(list(slc.keys()), list(slc.values()))
plt.xlabel("Number of cluster")
plt.ylabel("Silhouette score")
plt.show()
I am quite new to k-means clustering and mainly followed online tutorials. Can somebody tell me if the scores obtained through the different measures (but mostly silhouette's) seem correct?
Thank you for your answer.
(Also, there is a subsidiary question but I find the shape of the clusters a bit weird (I would expect them to be more fragmented). Is it a possible shape of clusters? (Note that I used the PCA to reduce the dimensions, so it might be because of that).
Thank you for your help.
Just searched this myself.
A silhouette score of one means each data point is unlikely to be assigned to another cluster.
A score close to zero means each data point could be easily assigned to another cluster
A score close to -1 means the datapoint is misclassified.
Based on these assumptions, I'd say 0.55 is still informative though not definitive and therefore you would need additional analysis to make any assertions based on your data.
I am new to clustering algorithms. I have a movie dataset with more than 200 movies and more than 100 users. All the users rated at least one movie. A value of 1 for good, 0 for bad and blank if the annotator has no choice.
I want to cluster similar users based on their reviews with the idea that users who rated similar movies as good might also rate a movie as good which was not rated by any user in the same cluster. I used cosine similarity measure with k-means clustering. The csv file is shown below:
UserID M1 M2 M3 ............... M200
user1 1 0 0
user2 0 1 1
user3 1 1 1
.
.
.
.
user100 1 0 1
The problem i am facing is that i don't know exactly how to find most optimal number of clusters for this dataset and then draw a graph of those clusters. I am clustering them with k-means and there is no issue with that but i want to know the most stable or optimal number of clusters for this dataset.
I will appreciate some help..
Clustering is part of the unsupervised machine learning methods. Contrary to supervised methods, in unsupervised methods there is not a straightforward approach to determine the "best" model among a set of models that were trained on a certain dataset.
Nonetheless, there are some quantitative measures. Most of them are based on the concept of "how much are the points in a certain cluster more similar between themself than with the points in different clusters?" I suggest you take a look at the scikit-learn documentation on clustering evaluation. Take a look at all the techniques that do not require labels_true (i.e. at all the unsupervised techniques).
Once you have a quantitative measure about the "goodness" of a certain clustering, you usually observe how this quantity evolves while changing the number of clusters; this approach is called Elbow Method.
Here is some code that uses K-Means algorithm with all possible K values from 2 to 30, calculates various scores for each K value, and stores all scores in a DataFrame.
seed_random = 1
fitted_kmeans = {}
labels_kmeans = {}
df_scores = []
k_values_to_try = np.arange(2, 31)
for n_clusters in k_values_to_try:
#Perform clustering.
kmeans = KMeans(n_clusters=n_clusters,
random_state=seed_random,
)
labels_clusters = kmeans.fit_predict(X)
#Insert fitted model and calculated cluster labels in dictionaries,
#for further reference.
fitted_kmeans[n_clusters] = kmeans
labels_kmeans[n_clusters] = labels_clusters
#Calculate various scores, and save them for further reference.
silhouette = silhouette_score(X, labels_clusters)
ch = calinski_harabasz_score(X, labels_clusters)
db = davies_bouldin_score(X, labels_clusters)
tmp_scores = {"n_clusters": n_clusters,
"silhouette_score": silhouette,
"calinski_harabasz_score": ch,
"davies_bouldin_score": db,
}
df_scores.append(tmp_scores)
#Create a DataFrame of clustering scores, using `n_clusters` as index, for easier plotting.
df_scores = pd.DataFrame(df_scores)
df_scores.set_index("n_clusters", inplace=True)
This code assumes that all your numerical features are in a DataFrame X.
All clustering performance metrics are stored in df_scores DataFrame.
You can easily use the elbow method by plotting columns from df_scores; for instance, if you want to see the elbow graph of the Silhouette Score, you can use df_scores["silhouette_score"].plot().
It's pretty common to start with visualizing the data. Sometimes it is obvious graphically, that there are N classes/clusters. Other times you may be able to see if it's <5, <10, or <100 classes. It depends on your data really.
Another common approach is to use the Bayesian Information Criterium (BIC) or the Akaike Information Criterium (AIC).
The main takeaway is that a lot of classification-problems can yield optimal results if e.g. you have as many classes as you have inputs: every input fits perfectly in its own cluster.
BIC/AIC penalizes a high-dimensional solution, from the insight that simpler models are often better/more stable. I.e. they generalize better and overfit less.
From wikipedia:
When fitting models, it is possible to increase the likelihood by adding parameters, but doing so may result in overfitting. Both BIC and AIC attempt to resolve this problem by introducing a penalty term for the number of parameters in the model; the penalty term is larger in BIC than in AIC.
You can use the Gini index as a metric, and then do a Grid Search based on this metric. Tell me if you have any other question.
You could use the elbow method.
The base meaning of K-Means is to cluster the data points such that the total "within-cluster sum of squares (a.k.a WSS)" is minimized. Hence you can vary the k from 2 to n, while also calculating its WSS at each point; plot the graph and the curve. Find the location of the bend and that can be considered as an optimal number of clusters !
For the clustering algorithms in sklearn, is there a way to specify how many clusters you want the algorithm to find (instead of the algorithm finding its own number of clusters)? From my inputted data, I'm hoping for 2 clusters instead of the 3 it outputs for me.
If it helps, I'm using the MeanShift algorithm (but my question applies to all of them). Also, most tutorials seem to use make_blobs, but I'm using pandas's read_csv to upload my data instead if that changes anything.
This is the beginning part of my code:
df = pd.read_csv(filename, header = 0)
original_headers = list(df.columns.values)
df = df._get_numeric_data()
data = df.values
ms = MeanShift()
ms.fit(data)
labels = ms.labels_
cluster_centers = ms.cluster_centers_
n_clusters_ = len(np.unique(labels))
print("Number of estimated clusters:", n_clusters_)
As some users said above, it is not possible set the number of clusters wanted in MeanShift algorithm.
When we talk about clustering, there are a lot of models to be employed depending on your problem. Density based models, like MeanShift and DBSCAN, try to find areas of higher density than the remainder of the data set. So, the number of clusters will be defined by the data itself.
On the other hand, for example, centroid based methods like K-Means, starts its iterations based on the number of centroids passed as parameter.
The following link shows a lot of clustering algorithms of sklearn. Try to figure out which one suits best in your problem.
http://scikit-learn.org/stable/auto_examples/cluster/plot_cluster_comparison.html
References:
https://towardsdatascience.com/the-5-clustering-algorithms-data-scientists-need-to-know-a36d136ef68
https://en.wikipedia.org/wiki/Cluster_analysis
Question
I implemented a K-Means algorithm in Python. First I apply PCA and whitening to the input data. Then I use k-means to successfully subtract k centroids out of the data.
How can I use those centroids to understand the "features" learnt? Are the centroids already the features (doesn't seem like this to me) or do I need to combine them with the input data again?
Because of some answers: K-means is not "just" a method for clustering, instead it's a vector quantization method. That said the goal of k-means is to describe a dataset with a reduced number of feature vectors. Therefore there are big analogies to methods like Sparse Filtering/ Learning regarding the potential outcome.
Code Example
# Perform K-means, data already pre-processed
centroids = k_means(matrix_pca_whitened,1000)
# Assign data to centroid
idx,_ = vq(song_matrix_pca,centroids)
The clusters produced by the K-mean algorithms separate your input space into K regions. When you have new data, you can tell which region it belongs to, and thus classify it.
The centroids are just a property of these clusters.
You can have a look at the scikit-learn doc if you are unsure, and at the map to make sure you choose the right algorithm.
This is sort of a circular question: "understand" requires knowing something about the features outside of the k-means process. All that k-means does is to identify k groups of physical proximity. It says "there are clumps of stuff in these 'k' places, and here's how the all the points choose the nearest."
What this means in terms of the features is up to the data scientist, rather than any deeper meaning that k-means can ascribe. The variance of each group may tell you a little about how tightly those points are clustered. Do remember that k-means also chooses starting points at random; an unfortunate choice can easily give a sub-optimal description of the space.
A centroid is basically the "mean" of the cluster. If you can ascribe some deeper understanding from the distribution of centroids, great -- but that depends on the data and features, rather than any significant meaning devolving from k-means.
Is that the level of answer you need?
The centroids are in fact the features learnt. Since k-means is a method of vector quantization we look up which observation belongs to which cluster and therefore is best described by the feature vector (centroid).
By having one observation e.g. separated into 10 patches before, the observation might consist of 10 feature vectors max.
Example:
Method: K-means with k=10
Dataset: 20 observations divided into 2 patches each = 40 data vectors
We now perform K-means on this patched dataset and get the nearest centroid per patch. We could then create a vector for each of the 20 observations with the length 10 (=k) and if patch 1 belongs to centroid 5 and patch 2 belongs to centroid 9 the vector could look like: 0 - 0 - 0 - 0 - 1 - 0 - 0 - 0 - 1 - 0.
This means that this observation consists of the centroids/ features 5 and 9. You could also measure use the distance between patch and centroid instead of this hard assignment.