Density Based Clustering with Representatives - cluster-analysis

I'm looking for a method to perform density based clustering. The resulting clusters should have a representative unlike DBSCAN.
Mean-Shift seems to fit those needs but doesn't scale enough for my needs. I have looked into some subspace clustering algorithms and only found CLIQUE using representatives, but this part is not implemented in Elki.

As I noted in the comments on the previous iteration of your question,
https://stackoverflow.com/questions/34720959/dbscan-java-library-with-corepoints
Density-based clustering does not assume there is a center or representative.
Consider the following example image from Wikipedia user Chire (BY-CC-SA 3.0):
Which object should be the representative of the red cluster?
Density-based clustering is about finding "arbitrarily shaped" clusters. These do not have a meaningful single representative object. They are not meant to "compress" your data - this is not a vector quantization method, but structure discovery. But it is the nature of such complex structure that it cannot be reduced to a single representative. The proper representation of such a cluster is the set of all points in the cluster. For geometric understanding in 2D, you can also compute convex hulls, for example, to get an area as in that picture.
Choosing representative objects is a different task. This is not needed for discovering this kind of structure, and thus these algorithms do not compute representative objects - it would waste CPU.

You could choose the object with the highest density as representative of the cluster.
It is a fairly easy modification to DBSCAN to store the neighbor count of every object.
But as Anony-Mousse mentioned, the object may nevertheless be a rather bad choice. Density-based clustering is not designed to yield representative objects.
You could try AffinityPropagation, but it will also not scale very well.

Related

How to identify found clusters in Lumer Faieta Ant clustering

I have been experimenting with Lumer-Faieta clustering and I am getting
promising results:
However, as clusters formed I was wondering how to identify the final clusters? Do I run another clustering algorithm to identify the clusters (that seems counter-productive)?
I had the idea of starting each data point in its own cluster. Then, when a laden ant drops a data point, its gets the same cluster as the data points that dominates its neighborhood. The problem with this is that if clusters are broken up, they share share the same cluster number.
I am stuck. Any suggestions?
To solve this problem, I employed DBSCAN as a post processing step. The effect as follows:
Given that we have a projection of a high dimensional problem on a 2D grid, with known distances and uniform densities, DBSCAN is ideal for this problem. Choosing the right value for epsilon and the minimum number of neighbours are trivial (I used 3 for both values). Once the clusters have been identified, it can be projected back to the n-dimension space.
See The 5 Clustering Algorithms Data Scientists Need to Know for a quick overview (and graphic demo) of DBSCAN and some other clustering algorithms.

What is the importance of clustering?

During unsupervised learning we do cluster analysis (like K-Means) to bin the data to a number of clusters.
But what is the use of these clustered data in practical scenario.
I think during clustering we are losing information about the data.
Are there some practical examples where clustering could be beneficial?
The information loss can be intentional. Here are three examples:
PCM signal quantification (Lloyd's k-means publication). You know that are certain number (say 10) different signals are transmitted, but with distortion. Quantifying removes the distortions and re-extracts the original 10 different signals. Here, you lose the error and keep the signal.
Color quantization (see Wikipedia). To reduce the number of colors in an image, a quite nice method uses k-means (usually in HSV or Lab space). k is the number of desired output colors. Information loss here is intentional, to better compress the image. k-means attempts to find the least-squared-error approximation of the image with just k colors.
When searching motifs in time series, you can also use quantization such as k-means to transform your data into a symbolic representation. The bag-of-visual-words approach that was the state of the art for image recognition prior to deep learning also used this.
Explorative data mining (clustering - one may argue that above use cases are not data mining / clustering; but quantization). If you have a data set of a million points, which points are you going to investigate? clustering methods try ro split the data into groups that are supposed to be more homogeneous within and more different to another. Thrn you don't have to look at every object, but only at some of each cluster to hopefully learn something about the whole cluster (and your whole data set). Centroid methods such as k-means even can proviee a "prototype" for each cluster, albeit it is a good idea to also lool at other points within the cluster. You may also want to do outlier detection and look at some of the unusual objects. This scenario is somewhere inbetween of sampling representative objects and reducing the data set size to become more manageable. The key difference to above points is that the result is usually not "operationalized" automatically, but because explorative clustering results are too unreliable (and thus require many iterations) need to be analyzed manually.

Best way to validate DBSCAN Clusters

I have used the ELKI implementation of DBSCAN to identify fire hot spot clusters from a fire data set and the results look quite good. The data set is spatial and the clusters are based on latitude, longitude. Basically, the DBSCAN parameters identify hot spot regions where there is a high concentration of fire points (defined by density). These are the fire hot spot regions.
My question is, after experimenting with several different parameters and finding a pair that gives a reasonable clustering result, how does one validate the clusters?
Is there a suitable formal validation method for my use case? Or is this subjective depending on the application domain?
ELKI contains a number of evaluation functions for clusterings.
Use the -evaluator parameter to enable them, from the evaluation.clustering.internal package.
Some of them will not automatically run because they have quadratic runtime cost - probably more than your clustering algorithm.
I do not trust these measures. They are designed for particular clustering algorithms; and are mostly useful for deciding the k parameter of k-means; not much more than that. If you blindly go by these measures, you end up with useless results most of the time. Also, these measures do not work with noise, with either of the strategies we tried.
The cheapest are the label-based evaluators. These will automatically run, but apparently your data does not have labels (or they are numeric, in which case you need to set the -parser.labelindex parameter accordingly). Personally, I prefer the Adjusted Rand Index to compare the similarity of two clusterings. All of these indexes are sensitive to noise so they don't work too well with DBSCAN, unless your reference has the same concept of noise as DBSCAN.
If you can afford it, a "subjective" evaluation is always best.
You want to solve a problem, not a number. That is the whole point of "data science", being problem oriented and solving the problem, not obsessed with minimizing some random quality number. If the results don't work in reality, you failed.
There are different methods to validate a DBSCAN clustering output. Generally we can distinguish between internal and external indices, depending if you have labeled data available or not. For DBSCAN there is a great internal validation indice called DBCV.
External Indices:
If you have some labeled data, external indices are great and can demonstrate how well the cluster did vs. the labeled data. One example indice is the RAND indice.https://en.wikipedia.org/wiki/Rand_index
Internal Indices:
If you don't have labeled data, then internal indices can be used to give the clustering result a score. In general the indices calculate the distance of points within the cluster and to other clusters and try to give you a score based on the compactness (how close are the points to each other in a cluster?) and
separability (how much distance is between the clusters?).
For DBSCAN, there is one great internal validation indice called DBCV by Moulavi et al. Paper is available here: https://epubs.siam.org/doi/pdf/10.1137/1.9781611973440.96
Python package: https://github.com/christopherjenness/DBCV

Python Clustering Algorithms

I've been looking around scipy and sklearn for clustering algorithms for a particular problem I have. I need some way of characterizing a population of N particles into k groups, where k is not necessarily know, and in addition to this, no a priori linking lengths are known (similar to this question).
I've tried kmeans, which works well if you know how many clusters you want. I've tried dbscan, which does poorly unless you tell it a characteristic length scale on which to stop looking (or start looking) for clusters. The problem is, I have potentially thousands of these clusters of particles, and I cannot spend the time to tell kmeans/dbscan algorithms what they should go off of.
Here is an example of what dbscan find:
You can see that there really are two separate populations here, though adjusting the epsilon factor (the max. distance between neighboring clusters parameter), I simply cannot get it to see those two populations of particles.
Is there any other algorithms which would work here? I'm looking for minimal information upfront - in other words, I'd like the algorithm to be able to make "smart" decisions about what could constitute a separate cluster.
I've found one that requires NO a priori information/guesses and does very well for what I'm asking it to do. It's called Mean Shift and is located in SciKit-Learn. It's also relatively quick (compared to other algorithms like Affinity Propagation).
Here's an example of what it gives:
I also want to point out that in the documentation is states that it may not scale well.
When using DBSCAN it can be helpful to scale/normalize data or
distances beforehand, so that estimation of epsilon will be relative.
There is a implementation of DBSCAN - I think its the one
Anony-Mousse somewhere denoted as 'floating around' - , which comes
with a epsilon estimator function. It works, as long as its not fed
with large datasets.
There are several incomplete versions of OPTICS at github. Maybe
you can find one to adapt it for your purpose. Still
trying to figure out myself, which effect minPts has, using one and
the same extraction method.
You can try a minimum spanning tree (zahn algorithm) and then remove the longest edge similar to alpha shapes. I used it with a delaunay triangulation and a concave hull:http://www.phpdevpad.de/geofence. You can also try a hierarchical cluster for example clusterfck.
Your plot indicates that you chose the minPts parameter way too small.
Have a look at OPTICS, which does no longer need the epsilon parameter of DBSCAN.

Expectation Maximization Issue - How to find the optimum number of gaussians within the data

Is there any algorithm or trick of how to determine the number of gaussians which should be identified within a set of data before applying the expectation maximization algorithm?
For example, in the above illustrated plot of 2 - Dimensional data, when I apply the Expectation Maximization algorithm, I try to fit 4 gaussians to the data and I would obtain the following result.
But what if I wouldn't knew the number of gaussians within the data? Is there any algorithm or trick which I could apply so that I could find out this detail?
This might be a bit of a retread, since others already linked the wiki article of the actual cluster number determination, but I found that article a lil overly dense, so I thought I'd provide a brief, intuitive answer:
Basically, there isn't a universally 'correct' answer for the number of clusters in a data set -- the fewer clusters, the smaller the description length but the higher the variance, and in all non-trivial datasets the variance won't completely go away unless you have a Gaussian for each point, which renders the clustering useless (this is a case of the more general phenomena known as the 'futility of bias free learning': A learner that makes no a priori assumptions regarding the identity of the target concept has no rational basis for classifying any unseen instances).
So you basically have to pick some feature of your dataset to maximize via the number of clusters (see the wiki article on inductive bias for some example features)
In other sad news, in all such cases finding the number of clusters is known to be NP-hard, so the best you can expect is a good heuristic approach.
Wikipedia has an article on this subject. I am not too familiar with the subject, but I've been told that clustering algorithms that don't require specifying the number of clusters instead need some density information about the clusters or some minimum distance between clusters.
Non parametric bayesian clustering is now getting lot of attention. You dont need to specify clusters.
Autoclass is algorithm that automatically identify number of clusters from mixture.