How to visualize gene networks and cluster groups of genes? - cluster-analysis

I'm working with biological data - namely groups of genes. For example:
group 1: geneA geneB geneC
group 2: geneD geneE
group 3: geneF geneG geneH
For each pair of genes, geneX and geneY I have a score telling how similiar the two genes are (actually, I have two scores, since I used BLAST which is 'directional': I first searched geneX against all the other genes then geneY against all the other genes, so I have two geneX--geneY scores, but I guess I can take the lower score of the two, or the average).
So, let's suppose I have only one score for each pair of genes. My data can be viewed as a undirected graph:
and recall each edge has a score attached to it.
Now, what I would like to do is:
Visualize my data interactively: being able to click on gene nodes
and open a link attached to them, show only edges above/below some threshold, control how the network is "spread", etc.
Cluster together groups which
are similar, i.e. groups that have
similar genes.
Any ideas of how can I do that? I guess it's basic clustering and I would appreciate any hints on packages/software that can be of any help here.
Thank you.

You'll probably get better responses if you ask this over at BioStar, the bioinformatics stackexchange.
Specifically, many of the answers in this thread might be relevant:
Which is the best software to represent biological pathways in a directed graph (network) ?

You can try cluto. You will have to transform your triples (gene_1, gene_2, similarity) into a matrix and use 'scluster'.

Related

Create pairs with weighting

Programming has been a while for me, apologies.
I have a list of pairs, where the pair is a person and the affiliated group of the person. That is X = {'Person1','GroupA';'Person2','GroupB';'Person3','GroupA';...}
Now I would like to create random pairs of the people in this list. This is pretty straightforward. However, I would like that the probability of two person matching which are in the same group to be low, e.g., 10% or x% and people from different groups 90%.
Does someone have a algorithm for this? Preferably MATLAB or a different programming language?
You can build the list picking the right around of percentage yourself then use function like randperm to shuffle them and make the list ramdom.

Data mining methods

I would like to know which data mining methods (regression, assosiation, clustring or classification) I have to use in case if I would like to find the highest number of reviews among several apps categories.
Thanks in advance for any support.
None.
Finding the maximum is not data mining. It's a simple for loop.
Clustering is the task of dividing the population or data points into a number of groups such that data points in the same groups are more similar to other data points in the same group than those in other groups. In simple words, the aim is to segregate groups with similar traits and assign them into clusters.

Grouping similar words (bad , worse )

I know there are ways to find synonyms either by using NLTK/pywordnet or Pattern package in python but it isn't solving my problem.
If there are words like
bad,worst,poor
bag,baggage
lost,lose,misplace
I am not able to capture them. Can anyone suggest me a possible way?
There have been numerous research in this area in past 20 years. Yes computers don't understand language but we can train them to find similarity or difference in two words with the help of some manual effort.
Approaches may be:
Based on manually curated datasets that contain how words in a language are related to each other.
Based on statistical or probabilistic measures of words appearing in a corpus.
Method 1:
Try Wordnet. It is a human-curated network of words which preserves the relationship between words according to human understanding. In short, it is a graph with nodes as something called 'synsets' and edges as relations between them. So any two words which are very close to each other are close in meaning. Words that fall within the same synset might mean exactly the same. Bag and Baggage are close - which you can find either by iteratively exploring node-to-node in a breadth first style - like starting with 'baggage', exploring its neighbors in an attempt to find 'baggage'. You'll have to limit this search upto a small number of iterations for any practical application. Another style is starting a random walk from a node and trying to reach the other node within a number of tries and distance. It you reach baggage from bag say, 500 times out of 1000 within 10 moves, you can be pretty sure that they are very similar to each other. Random walk is more helpful in much larger and complex graphs.
There are many other similar resources online.
Method 2:
Word2Vec. Hard to explain it here but it works by creating a vector of a user's suggested number of dimensions based on its context in the text. There has been an idea for two decades that words in similar context mean the same. e.g. I'm gonna check out my bags and I'm gonna check out my baggage both might appear in text. You can read the paper for explanation (link in the end).
So you can train a Word2Vec model over a large amount of corpus. In the end, you will be able to get 'vector' for each word. You do not need to understand the significance of this vector. You can this vector representation to find similarity or difference between words, or generate synonyms of any word. The idea is that words which are similar to each other have vectors close to each other.
Word2vec came up two years ago and immediately became the 'thing-to-use' in most of NLP applications. The quality of this approach depends on amount and quality of your data. Generally Wikipedia dump is considered good training data for training as it contains articles about almost everything that makes sense. You can easily find ready-to-use models trained on Wikipedia online.
A tiny example from Radim's website:
>>> model.most_similar(positive=['woman', 'king'], negative=['man'], topn=1)
[('queen', 0.50882536)]
>>> model.doesnt_match("breakfast cereal dinner lunch".split())
'cereal'
>>> model.similarity('woman', 'man')
0.73723527
First example tells you the closest word (topn=1) to words woman and king but meanwhile also most away from the word man. The answer is queen.. Second example is odd one out. Third one tells you how similar the two words are, in your corpus.
Easy to use tool for Word2vec :
https://radimrehurek.com/gensim/models/word2vec.html
http://papers.nips.cc/paper/5021-distributed-representations-of-words-and-phrases-and-their-compositionality.pdf (Warning : Lots of Maths Ahead)

Newbie to Neural Networks

Just starting to play around with Neural Networks for fun after playing with some basic linear regression. I am an English teacher so don't have a math background and trying to read a book on this stuff is way over my head. I thought this would be a better avenue to get some basic questions answered (even though I suspect there is no easy answer). Just looking for some general guidance put in layman's terms. I am using a trial version of an Excel Add-In called NEURO XL. I apologize if these questions are too "elementary."
My first project is related to predicting a student's Verbal score on the SAT based on a number of test scores, GPA, practice exam scores, etc. as well as some qualitative data (gender: M=1, F=0; took SAT prep class: Y=1, N=0; plays varsity sports: Y=1, N=0).
In total, I have 21 variables that I would like to feed into the network, with the output being the actual score (200-800).
I have 9000 records of data spanning many years/students. Here are my questions:
How many records of the 9000 should I use to train the network?
1a. Should I completely randomize the selection of this training data or be more involved and make sure I include a variety of output scores and a wide range of each of the input variables?
If I split the data into an even number, say 9x1000 (or however many) and created a network for each one, then tested the results of each of these 9 on the other 8 sets to see which had the lowest MSE across the samples, would this be a valid way to "choose" the best network if I wanted to predict the scores for my incoming students (not included in this data at all)?
Since the scores on the tests that I am using as inputs vary in scale (some are on 1-100, and others 1-20 for example), should I normalize all of the inputs to their respective z-scores? When is this recommended vs not recommended?
I am predicting the actual score, but in reality, I'm NOT that concerned about the exact score but more of a range. Would my network be more accurate if I grouped the output scores into buckets and then tried to predict this number instead of the actual score?
E.g.
750-800 = 10
700-740 = 9
etc.
Is there any benefit to doing this or should I just go ahead and try to predict the exact score?
What if ALL I cared about was whether or not the score was above or below 600. Would I then just make the output 0(below 600) or 1(above 600)?
5a. I read somewhere that it's not good to use 0 and 1, but instead 0.1 and 0.9 - why is that?
5b. What about -1(below 600), 0(exactly 600), 1(above 600), would this work?
5c. Would the network always output -1, 0, 1 - or would it output fractions that I would then have to roundup or rounddown to finalize the prediction?
Once I have found the "best" network from Question #3, would I then play around with the different parameters (number of epochs, number of neurons in hidden layer, momentum, learning rate, etc.) to optimize this further?
6a. What about the Activation Function? Will Log-sigmoid do the trick or should I try the other options my software has as well (threshold, hyperbolic tangent, zero-based log-sigmoid).
6b. What is the difference between log-sigmoid and zero-based log-sigmoid?
Thanks!
First a little bit of meta content about the question itself (and not about the answers to your questions).
I have to laugh a little that you say 'I apologize if these questions are too "elementary."' and then proceed to ask the single most thorough and well thought out question I've seen as someone's first post on SO.
I wouldn't be too worried that you'll have people looking down their noses at you for asking this stuff.
This is a pretty big question in terms of the depth and range of knowledge required, especially the statistical knowledge needed and familiarity with Neural Networks.
You may want to try breaking this up into several questions distributed across the different StackExchange sites.
Off the top of my head, some of it definitely belongs on the statistics StackExchange, Cross Validated: https://stats.stackexchange.com/
You might also want to try out https://datascience.stackexchange.com/ , a beta site specifically targeting machine learning and related areas.
That said, there is some of this that I think I can help to answer.
Anything I haven't answered is something I don't feel qualified to help you with.
Question 1
How many records of the 9000 should I use to train the network? 1a. Should I completely randomize the selection of this training data or be more involved and make sure I include a variety of output scores and a wide range of each of the input variables?
Randomizing the selection of training data is probably not a good idea.
Keep in mind that truly random data includes clusters.
A random selection of students could happen to consist solely of those who scored above a 30 on the ACT exams, which could potentially result in a bias in your result.
Likewise, if you only select students whose SAT scores were below 700, the classifier you build won't have any capacity to distinguish between a student expected to score 720 and a student expected to score 780 -- they'll look the same to the classifier because it was trained without the relevant information.
You want to ensure a representative sample of your different inputs and your different outputs.
Because you're dealing with input variables that may be correlated, you shouldn't try to do anything too complex in selecting this data, or you could mistakenly introduce another bias in your inputs.
Namely, you don't want to select a training data set that consists largely of outliers.
I would recommend trying to ensure that your inputs cover all possible values for all of the variables you are observing, and all possible results for the output (the SAT scores), without constraining how these requirements are satisfied.
I'm sure there are algorithms out there designed to do exactly this, but I don't know them myself -- possibly a good question in and of itself for Cross Validated.
Question 3
Since the scores on the tests that I am using as inputs vary in scale (some are on 1-100, and others 1-20 for example), should I normalize all of the inputs to their respective z-scores? When is this recommended vs not recommended?
My understanding is that this is not recommended as the input to a Nerual Network, but I may be wrong.
The convergence of the network should handle this for you.
Every node in the network will assign a weight to its inputs, multiply them by their weights, and sum those products as a core part of its computation.
That means that every node in the network is searching for some coefficients for each of their inputs.
To do this, all inputs will be converted to numeric values -- so conditions like gender will be translated into "0=MALE,1=FEMALE" or something similar.
For example, a node's metric might look like this at a given point in time:
2*ACT_SCORE + 0*GENDER + (-5)*VARISTY_SPORTS ...
The coefficients for each values are exactly what the network is searching for as it converges.
If you change the scale of a value, like ACT_SCORE, you just change the scale of the coefficient that will be found by the reciporical of that scaling factor.
The result should still be the same.
There are other concerns in terms of accuracy (computers have limited capacity to represent small fractions) and speed that may enter this, but not being familiar with NEURO XL, I can't say whether or not they apply for this technology.
Question 4
I am predicting the actual score, but in reality, I'm NOT that concerned about the exact score but more of a range. Would my network be more accurate if I grouped the output scores into buckets and then tried to predict this number instead of the actual score?
This will reduce accuracy, although you should converge to a solution much faster with fewer possible outputs (scores).
Neural Networks actually describe very high-dimensional functions in their input variables.
If you reduce the granularity of that function's output space, you essentially state that you don't care about local minima and maxima in that function, especially around the borders between your output scores.
As a result, you are sacrificing information that may be an essential component of the "true" function that you are searching for.
I hope this has been helpful, but you really should break this question down into its many components and ask them separately on different sites -- potentially some of them do belong here on StackOverflow as well.

Mixed variables (categorical and numerical) distance function

I want to fuzzy cluster a set of jobs.
Jobs Attributes are:
Categorical: position,diploma, skills
Numerical : salary , years of experience
My question is: how to calculate the distance between different jobs?
e.g job1(programmer,bs computer science,(java ,.net,responsibility),1500, 3)
and job2(tester,bs computer science,(black and white box testing),1200,1)
PS: I'm beginner in data mining clustering, I highly appreciate your help.
You may take this as your starting point:
http://www.econ.upf.edu/~michael/stanford/maeb4.pdf. Distance between categorical data is nicely explained at the end.
Here is a good walk-through of several different clustering methods and how to use them in R: http://biocluster.ucr.edu/~tgirke/HTML_Presentations/Manuals/Clustering/clustering.pdf
In general, clustering for discrete data is related to either the use of counts (e.g. overlaps in vectors) or related to some statistic derived from counts. As much as I'd like to address the statistical side, I suppose you're interested in the algorithm, so I'll leave it at that.