Algorithms for constructing categories with minimal distance - cluster-analysis

I am looking for an algorithm (or more algorithms) that would allow me to construct N categories for M items with minimal distance. Categories have X attributes that can be adjusted and based on these attributes a distance between category and an item can be calculated.
One obvious way are some clustering methods and then deriving categories from centers of clusters. However, I would like to explore some algorithms that operate purely on modifying the categories, i.e. propose list of categories, calculate distances to each item, modify the categories. Distances for each of the X attributes could be independently calculated.

Related

Pyspark columnSimilarities() usage for calculation of cosine similarities between products

I have a big dataset and need to calculate cosine similarities between products in the context of item-item collaborative filtering for product recommendations. As the data contains more than 50000 items and 25000 rows, I opted for using Spark and found the function columnSimilarities() which can be used on DistributedMatrix, specifically on a RowMatrix or IndexedRowMatrix.
But, there is 2 issues I'm wondering about.
1) In the documentation, it's mentioned that:
A RowMatrix is backed by an RDD of its rows, where each row is a local
vector. Since each row is represented by a local vector, the number of
columns is limited by the integer range but it should be much smaller
in practice.
As I have many products it seems that RowMatrix is not the best choice for building the similarity Matrix from my input which is a Spark Dataframe. That's why I decided to start by converting the dataframe to a CoordinateMatrix and then use toRowMatrix() because columnSimilarities() requires input parameter as RowMatrix. Meanwhile, I'm not sure of its performance..
2) I found out that:
the columnSimilarities method only returns the off diagonal entries of
the upper triangular portion of the similarity matrix.
reference
Does this mean I cannot get the similarity vectors of all the products?
So your current strategy is to compute the similarity between each item, i, and each other item. This means at best you have to compute the upper triangular of the distance matrix, I think that's (i^2 / 2) - i calculations. Then you have to sort for each of those i items.
If you are willing to trade off a little accuracy for runtime you can use approximate nearest neighbors (ANN). You might not find exactly the top NNS for an item but you will find very similar items and it will be orders of magnitude faster. No one dealing with moderately sized datasets calculates (or has the time to wait to calculate) the full set of distances.
Each ANN search method creates an index that will only generate a small set of candidates and compute distances within that subset (this is the fast part). The way the index is constructed provides different guarantees about the accuracy of the NN retrieval (this is the approximate part).
There are various ANN search libraries out there, annoy, nmslib, LSH. An accessible introduction is here: https://erikbern.com/2015/10/01/nearest-neighbors-and-vector-models-part-2-how-to-search-in-high-dimensional-spaces.html
HTH. Tim

Hierarchical Cluster Analysis in Cluster 3.0

I'm new to this site as well as new to cluster analysis, so I apologize if I violate conventions.
I've been using Cluster 3.0 to perform Hierarchical Cluster Analysis with Euclidean Distance and Average linkage. Cluster 3.0 outputs a .gtr file with a node joining a gene and their similarity score. I've noticed that the first line in the .gtr file always links a gene with another gene followed by the similarity score. But, how do I reproduce this similarity score?
In my data set, I have 8 genes and create a distance matrix where d_{ij} contains the Euclidian distance between gene i and gene j. Then I normalize the matrix by dividing each element by the max value in the matrix. To get the similarity matrix, I subtract all the elements from 1. However, my result does not use the linkage type and differs from the output similarity score.
I am mainly confused how linkages affect the similarity of the first node (the joining of the two closest genes) and how to compute the similarity score.
Thank you!
The algorithm compares clusters using some linkage method, not data points. However, in the first iteration of the algorithm each data point forms its own cluster; this means that your linkage method is actually reduced to the metric you use to measure the distance between data points (for your case Euclidean distance). For subsequent iterations, the distance between clusters will be measured according to your linkage method, which in your case is average link. For two clusters A and B, this is calculated as follows:
where d(a,b) is the Euclidean distance between the two data points. Convince yourself that when A and B contain just one data point (as in the first iteration) this equation reduces itself to d(a,b). I hope this makes things a bit more clear. If not, please provide more details of what exactly you want to do.

Clustering words into groups

This is a Homework question. I have a huge document full of words. My challenge is to classify these words into different groups/clusters that adequately represent the words. My strategy to deal with it is using the K-Means algorithm, which as you know takes the following steps.
Generate k random means for the entire group
Create K clusters by associating each word with the nearest mean
Compute centroid of each cluster, which becomes the new mean
Repeat Step 2 and Step 3 until a certain benchmark/convergence has been reached.
Theoretically, I kind of get it, but not quite. I think at each step, I have questions that correspond to it, these are:
How do I decide on k random means, technically I could say 5, but that may not necessarily be a good random number. So is this k purely a random number or is it actually driven by heuristics such as size of the dataset, number of words involved etc
How do you associate each word with the nearest mean? Theoretically I can conclude that each word is associated by its distance to the nearest mean, hence if there are 3 means, any word that belongs to a specific cluster is dependent on which mean it has the shortest distance to. However, how is this actually computed? Between two words "group", "textword" and assume a mean word "pencil", how do I create a similarity matrix.
How do you calculate the centroid?
When you repeat step 2 and step 3, you are assuming each previous cluster as a new data set?
Lots of questions, and I am obviously not clear. If there are any resources that I can read from, it would be great. Wikipedia did not suffice :(
As you don't know exact number of clusters - I'd suggest you to use a kind of hierarchical clustering:
Imagine that all your words just a points in non-euclidean space. Use Levenshtein distance to calculate distance between words (it works great, in case, if you want to detect clusters of lexicographically similar words)
Build minimum spanning tree which contains all of your words
Remove links, which have length greater than some threshold
Linked groups of words are clusters of similar words
Here is small illustration:
P.S. you can find many papers in web, where described clustering based on building of minimal spanning tree
P.P.S. If you want to detect clusters of semantically similar words, you need some algorithms of automatic thesaurus construction
That you have to choose "k" for k-means is one of the biggest drawbacks of k-means.
However, if you use the search function here, you will find a number of questions that deal with the known heuristical approaches to choosing k. Mostly by comparing the results of running the algorithm multiple times.
As for "nearest". K-means acutally does not use distances. Some people believe it uses euclidean, other say it is squared euclidean. Technically, what k-means is interested in, is the variance. It minimizes the overall variance, by assigning each object to the cluster such that the variance is minimized. Coincidentially, the sum of squared deviations - one objects contribution to the total variance - over all dimensions is exactly the definition of squared euclidean distance. And since the square root is monotone, you can also use euclidean distance instead.
Anyway, if you want to use k-means with words, you first need to represent the words as vectors where the squared euclidean distance is meaningful. I don't think this will be easy or maybe not even possible.
About the distance: In fact, Levenshtein (or edit) distance satisfies triangle inequality. It also satisfies the rest of the necessary properties to become a metric (not all distance functions are metric functions). Therefore you can implement a clustering algorithm using this metric function, and this is the function you could use to compute your similarity matrix S:
-> S_{i,j} = d(x_i, x_j) = S_{j,i} = d(x_j, x_i)
It's worth to mention that the Damerau-Levenshtein distance doesn't satisfy the triangle inequality, so be careful with this.
About the k-means algorithm: Yes, in the basic version you must define by hand the K parameter. And the rest of the algorithm is the same for a given metric.

KNN classification with categorical data

I'm busy working on a project involving k-nearest neighbor (KNN) classification. I have mixed numerical and categorical fields. The categorical values are ordinal (e.g. bank name, account type). Numerical types are, for e.g. salary and age. There are also some binary types (e.g., male, female).
How do I go about incorporating categorical values into the KNN analysis?
As far as I'm aware, one cannot simply map each categorical field to number keys (e.g. bank 1 = 1; bank 2 = 2, etc.), so I need a better approach for using the categorical fields. I have heard that one can use binary numbers. Is this a feasible method?
You need to find a distance function that works for your data. The use of binary indicator variables solves this problem implicitly. This has the benefit of allowing you to continue your probably matrix based implementation with this kind of data, but a much simpler way - and appropriate for most distance based methods - is to just use a modified distance function.
There is an infinite number of such combinations. You need to experiment which works best for you. Essentially, you might want to use some classic metric on the numeric values (usually with normalization applied; but it may make sense to also move this normalization into the distance function), plus a distance on the other attributes, scaled appropriately.
In most real application domains of distance based algorithms, this is the most difficult part, optimizing your domain specific distance function. You can see this as part of preprocessing: defining similarity.
There is much more than just Euclidean distance. There are various set theoretic measures which may be much more appropriate in your case. For example, Tanimoto coefficient, Jaccard similarity, Dice's coefficient and so on. Cosine might be an option, too.
There are whole conferences dedicated to the topics of similarity search - nobody claimed this is trivial in anything but Euclidean vector spaces (and actually, not even there): http://www.sisap.org/2012
The most straight forward way to convert categorical data into numeric is by using indicator vectors. See the reference I posted at my previous comment.
Can we use Locality Sensitive Hashing (LSH) + edit distance and assume that every bin represents a different category? I understand that categorical data does not show any order and the bins in LSH are arranged according to a hash function. Finding the hash function that gives a meaningful number of bins sounds to me like learning a metric space.

Clustering: a training dataset of variable data dimensions

I have a dataset of n data, where each data is represented by a set of extracted features. Generally, the clustering algorithms need that all input data have the same dimensions (the same number of features), that is, the input data X is a n*d matrix of n data points each of which has d features.
In my case, I've previously extracted some features from my data but the number of extracted features for each data is most likely to be different (I mean, I have a dataset X where data points have not the same number of features).
Is there any way to adapt them, in order to cluster them using some common clustering algorithms requiring data to be of the same dimensions.
Thanks
Sounds like the problem you have is that it's a 'sparse' data set. There are generally two options.
Reduce the dimensionality of the input data set using multi-dimensional scaling techniques. For example Sparse SVD (e.g. Lanczos algorithm) or sparse PCA. Then apply traditional clustering on the dense lower dimensional outputs.
Directly apply a sparse clustering algorithm, such as sparse k-mean. Note you can probably find a PDF of this paper if you look hard enough online (try scholar.google.com).
[Updated after problem clarification]
In the problem, a handwritten word is analyzed visually for connected components (lines). For each component, a fixed number of multi-dimensional features is extracted. We need to cluster the words, each of which may have one or more connected components.
Suggested solution:
Classify the connected components first, into 1000(*) unique component classifications. Then classify the words against the classified components they contain (a sparse problem described above).
*Note, the exact number of component classifications you choose doesn't really matter as long as it's high enough as the MDS analysis will reduce them to the essential 'orthogonal' classifications.
There are also clustering algorithms such as DBSCAN that in fact do not care about your data. All this algorithm needs is a distance function. So if you can specify a distance function for your features, then you can use DBSCAN (or OPTICS, which is an extension of DBSCAN, that doesn't need the epsilon parameter).
So the key question here is how you want to compare your features. This doesn't have much to do with clustering, and is highly domain dependant. If your features are e.g. word occurrences, Cosine distance is a good choice (using 0s for non-present features). But if you e.g. have a set of SIFT keypoints extracted from a picture, there is no obvious way to relate the different features with each other efficiently, as there is no order to the features (so one could compare the first keypoint with the first keypoint etc.) A possible approach here is to derive another - uniform - set of features. Typically, bag of words features are used for such a situation. For images, this is also known as visual words. Essentially, you first cluster the sub-features to obtain a limited vocabulary. Then you can assign each of the original objects a "text" composed of these "words" and use a distance function such as cosine distance on them.
I see two options here:
Restrict yourself to those features for which all your data-points have a value.
See if you can generate sensible default values for missing features.
However, if possible, you should probably resample all your data-points, so that they all have values for all features.