I have been working for a couple of months with OpenMDAO and I find myself struggling with my code when I want to impose conditions for trying to replicate a physical/engineering behaviour.
I have tried using sigmoid functions, but I am still not convinced with that, due to the difficulty about trading off sensibility and numerical stabilization. Most of times I found overflows in exp so I end up including other conditionals (like np.where) so loosing linearity.
outputs['sigmoid'] = 1 / (1 + np.exp(-x))
I was looking for another kind of step function or something like that, able to keep linearity and derivability to the ease of the optimization. I don't know if something like that exists or if there is any strategy that can help me. If it helps, I am working with an OpenConcept benchmark, which uses vectorized computations ans Simpson's rule numerical integration.
Thank you very much.
PD: This is my first ever question in stackoverflow, so I would like to apologyze in advance for any error or bad practice commited. Hope to eventually collaborate and become active in the community.
Update after Justin answer:
I will take the opportunity to define a little bit more my problem and the strategy I tried. I am trying to monitorize and control thermodynamics conditions inside a tank. One of the things is to take actions when pressure P1 reaches certein threshold P2, for defining this:
eval= (inputs['P1'] - inputs['P2']) / (inputs['P1'] + inputs['P2'])
# P2 = threshold [Pa]
# P1 = calculated pressure [Pa]
k=100 #steepness control
outputs['sigmoid'] = (1 / (1 + np.exp(-eval * k)))
eval was defined in order avoid overflows normalizing the values, so when the threshold is recahed, corrections are taken. In a very similar way, I defined a function to check if there is still mass (so flowing can continue between systems):
eval= inputs['mass']/inputs['max']
k=50
outputs['sigmoid'] = (1 / (1 + np.exp(-eval*k)))**3
maxis also used for normalizing the value and the exponent is added for reaching zero before entering in the negative domain.
PLot (sorry it seems I cannot post images yet for my reputation)
It may be important to highlight that both mass and pressure are calculated from coupled ODE integration, in which this activation functions take part. I guess OpenConcept nature 'explore' a lot of possible values before arriving the solution, so most of the times giving negative infeasible values for massand pressure and creating overflows. For that sometimes I try to include:
eval[np.where(eval > 1.5)] = 1.5
eval[np.where(eval < -1.5)] = -1.5
That is not a beautiful but sometimes effective solution. I try to avoid using it since I taste that this bounds difficult solver and optimizer work.
I could give you a more complete answer if you distilled your question down to a specific code example of the function you're wrestling with and its expected input range. If you provide that code-sample, I'll update my answer.
Broadly, this is a common challenge when using gradient based optimization. You want some kind of behavior like an if-condition to turn something on/off and in many cases thats a fundamentally discontinuous function.
To work around that we often use sigmoid functions, but these do have some of the numerical challenges you pointed out. You could try a hyberbolic tangent as an alternative, though it may suffer the same kinds of problems.
I will give you two broad options:
Option 1
sometimes its ok (even if not ideal) to leave the purely discrete conditional in the code. Lets say you wanted to represent a kind of simple piecewise function:
y = 2x; x>=0
y = 0; x < 0
There is a sharp corner in that function right at 0. That corner is not differentiable, but the function is fine everywhere else. This is very much like the absolute value function in practice, though you might not draw the analogy looking at the piecewise definition of the function because the piecewise nature of abs is often hidden from you.
If you know (or at least can check after the fact) that your final answer will no lie right on or very near to that C1 discontinuity, then its probably fine to leave the code the way is is. Your derivatives will be well defined everywhere but right at 0 and you can simply pick the left or the right answer for 0.
Its not strictly mathematically correct, but it works fine as long as you're not ending up stuck right there.
Option 2
Apply a smoothing function. This can be a sigmoid, or a simple polynomial. The exact nature of the smoothing function is highly specific to the kind of discontinuity you are trying to approximate.
In the case of the piecewise function above, you might be tempted to define that function as:
2x*sig(x)
That would give you roughly the correct behavior, and would be differentiable everywhere. But wolfram alpha shows that it actually undershoots a little. Thats probably undesirable, so you can increase the exponent to mitigate that. This however, is where you start to get underflow and overflow problems.
So to work around that, and make a better behaved function all around, you could instead defined a three part piecewise polynomial:
y = 2x; x>=a
y = c0 + c1*x + c2*x**2; -a <= x < a
y = 0 x < -a
you can solve for the coefficients as a function of a (please double check my algebra before using this!):
c0 = 1.5a
c1 = 2
c2 = 1/(2a)
The nice thing about this approach is that it will never overshoot and go negative. You can also make a reasonably small and still get decent numerics. But if you try to make it too small, c2 will obviously blow up.
In general, I consider the sigmoid function to be a bit of a blunt instrument. It works fine in many cases, but if you try to make it approximate a step function too closely, its a nightmare. If you want to represent physical processes, I find polynomial fillet functions work more nicely.
It takes a little effort to derive that polynomial, because you want it to be c1 continuous on both sides of the curve. So you have to construct the system of equations to solve for it as a function of the polynomial order and the specific relaxation you want (0.1 here).
My goto has generally been to consult the table of activation functions on wikipedia: https://en.wikipedia.org/wiki/Activation_function
I've had good luck with sigmoid and the hyperbolic tangent, scaling them such that we can choose the lower and upper values as well as choosing the location of the activation on the x-axis and the steepness.
Dymos uses a vectorization that I think is similar to OpenConcept and I've had success with numpy.where there as well, providing derivatives for each possible "branch" taken. It is true that you may have issues with derivative mismatches if you have an analysis point right on the transition, but often I've had success despite that. If the derivative at the transition becomes a hinderance then implementing a sigmoid or relu are more appropriate.
If x is of a magnitude such that it can cause overflows, consider applying units or using scaling to put it within reasonable limits if you cannot bound it directly.
Right upfront: this is an issue I encountered when submitting an R package to CRAN. So I
dont have control of the stack size (as the issue occured on one of CRANs platforms)
I cant provide a reproducible example (as I dont know the exact configurations on CRAN)
Problem
When trying to submit the cSEM.DGP package to CRAN the automatic pretest (for Debian x86_64-pc-linux-gnu; not for Windows!) failed with the NOTE: C stack usage 7975520 is too close to the limit.
I know this is caused by a function with three arguments whose body is about 800 rows long. The function body consists of additions and multiplications of these arguments. It is the function varzeta6() which you find here (from row 647 onwards).
How can I adress this?
Things I cant do:
provide a reproducible example (at least I would not know how)
change the stack size
Things I am thinking of:
try to break the function into smaller pieces. But I dont know how to best do that.
somehow precompile? the function (to be honest, I am just guessing) so CRAN doesnt complain?
Let me know your ideas!
Details / Background
The reason why varzeta6() (and varzeta4() / varzeta5() and even more so varzeta7()) are so long and R-inefficient is that they are essentially copy-pasted from mathematica (after simplifying the mathematica code as good as possible and adapting it to be valid R code). Hence, the code is by no means R-optimized (which #MauritsEvers righly pointed out).
Why do we need mathematica? Because what we need is the general form for the model-implied construct correlation matrix of a recursive strucutral equation model with up to 8 constructs as a function of the parameters of the model equations. In addition there are constraints.
To get a feel for the problem, lets take a system of two equations that can be solved recursivly:
Y2 = beta1*Y1 + zeta1
Y3 = beta2*Y1 + beta3*Y2 + zeta2
What we are interested in is the covariances: E(Y1*Y2), E(Y1*Y3), and E(Y2*Y3) as a function of beta1, beta2, beta3 under the constraint that
E(Y1) = E(Y2) = E(Y3) = 0,
E(Y1^2) = E(Y2^2) = E(Y3^3) = 1
E(Yi*zeta_j) = 0 (with i = 1, 2, 3 and j = 1, 2)
For such a simple model, this is rather trivial:
E(Y1*Y2) = E(Y1*(beta1*Y1 + zeta1) = beta1*E(Y1^2) + E(Y1*zeta1) = beta1
E(Y1*Y3) = E(Y1*(beta2*Y1 + beta3*(beta1*Y1 + zeta1) + zeta2) = beta2 + beta3*beta1
E(Y2*Y3) = ...
But you see how quickly this gets messy when you add Y4, Y5, until Y8.
In general the model-implied construct correlation matrix can be written as (the expression actually looks more complicated because we also allow for up to 5 exgenous constructs as well. This is why varzeta1() already looks complicated. But ignore this for now.):
V(Y) = (I - B)^-1 V(zeta)(I - B)'^-1
where I is the identity matrix and B a lower triangular matrix of model parameters (the betas). V(zeta) is a diagonal matrix. The functions varzeta1(), varzeta2(), ..., varzeta7() compute the main diagonal elements. Since we constrain Var(Yi) to always be 1, the variances of the zetas follow. Take for example the equation Var(Y2) = beta1^2*Var(Y1) + Var(zeta1) --> Var(zeta1) = 1 - beta1^2. This looks simple here, but is becomes extremly complicated when we take the variance of, say, the 6th equation in such a chain of recursive equations because Var(zeta6) depends on all previous covariances betwenn Y1, ..., Y5 which are themselves dependend on their respective previous covariances.
Ok I dont know if that makes things any clearer. Here are the main point:
The code for varzeta1(), ..., varzeta7() is copy pasted from mathematica and hence not R-optimized.
Mathematica is required because, as far as I know, R cannot handle symbolic calculations.
I could R-optimze "by hand" (which is extremly tedious)
I think the structure of the varzetaX() must be taken as given. The question therefore is: can I somehow use this function anyway?
Once conceivable approach is to try to convince the CRAN maintainers that there's no easy way for you to fix the problem. This is a NOTE, not a WARNING; The CRAN repository policy says
In principle, packages must pass R CMD check without warnings or significant notes to be admitted to the main CRAN package area. If there are warnings or notes you cannot eliminate (for example because you believe them to be spurious) send an explanatory note as part of your covering email, or as a comment on the submission form
So, you could take a chance that your well-reasoned explanation (in the comments field on the submission form) will convince the CRAN maintainers. In the long run it would be best to find a way to simplify the computations, but it might not be necessary to do it before submission to CRAN.
This is a bit too long as a comment, but hopefully this will give you some ideas for optimising the code for the varzeta* functions; or at the very least, it might give you some food for thought.
There are a few things that confuse me:
All varzeta* functions have arguments beta, gamma and phi, which seem to be matrices. However, in varzeta1 you don't use beta, yet beta is the first function argument.
I struggle to link the details you give at the bottom of your post with the code for the varzeta* functions. You don't explain where the gamma and phi matrices come from, nor what they denote. Furthermore, seeing that beta are the model's parameter etimates, I don't understand why beta should be a matrix.
As I mentioned in my earlier comment, I would be very surprised if these expressions cannot be simplified. R can do a lot of matrix operations quite comfortably, there shouldn't really be a need to pre-calculate individual terms.
For example, you can use crossprod and tcrossprod to calculate cross products, and %*% implements matrix multiplication.
Secondly, a lot of mathematical operations in R are vectorised. I already mentioned that you can simplify
1 - gamma[1,1]^2 - gamma[1,2]^2 - gamma[1,3]^2 - gamma[1,4]^2 - gamma[1,5]^2
as
1 - sum(gamma[1, ]^2)
since the ^ operator is vectorised.
Perhaps more fundamentally, this seems somewhat of an XY problem to me where it might help to take a step back. Not knowing the full details of what you're trying to model (as I said, I can't link the details you give to the cSEM.DGP code), I would start by exploring how to solve the recursive SEM in R. I don't really see the need for Mathematica here. As I said earlier, matrix operations are very standard in R; analytically solving a set of recursive equations is also possible in R. Since you seem to come from the Mathematica realm, it might be good to discuss this with a local R coding expert.
If you must use those scary varzeta* functions (and I really doubt that), an option may be to rewrite them in C++ and then compile them with Rcpp to turn them into R functions. Perhaps that will avoid the C stack usage limit?
I have two binarized events (eventA and eventB), I want to know if there is any coincidence in these two events. So I'll use the new Package CoinCalc to investigate the potential relation between these two.
library(CoinCalc) #note that the package is not visible (at least for) me in CRAN. I got it from GitHub https://github.com/JonatanSiegmund/CoinCalc
two binary events
eventA= c(0,1,0,0,1,1,0,0,1,1,0,0,1,0,1,0,1,0,1,1,1,1,0,0,0,1,1,1,0,0,1,1,0,1,1,0,1,0,0,0,1,1,0,0,0,1,1,0,1,1,1,1,1,1,0,1,0,0,0,1,1,0,0,0,0,0,1,1,0,0,1,1,1,0,0,1,0,1,1,1,0,0,0,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,0,0,1,0,0,1,1,0,0,1,1,0,1,1,0,0,0,1,0,0,0,0,0,1,1,0,1,0,1,1,0,1,0,0,0,1,0,0,1,0,1)
eventB = c(0,1,0,0,0,0,1,0,0,0,1,1,1,1,1,0,0,0,0,1,0,1,0,0,0,1,0,1,0,1,0,1,0,1,1,0,1,1,1,0,0,1,1,1,0,0,0,1,1,0,1,1,1,1,1,1,0,1,1,1,0,0,1,0,1,1,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,0,0,0,0,0,0,1,1,1,1,0,0,0,1,1,1,0,1,0,0,0,0,0,1,0,1,1,1,1,0,0,0,0,1,0,0,0,1,0,0,0,0,1,1,0,1,0,0,1,0,1,0,1,1,0,0,0)
run ECA analysis
ca.out <- CC.eca.ts(eventA, eventB,delT=2,tau=2)
this yields:
$NH precursor
1 TRUE
$NH trigger
1 FALSE
$p-value precursor
1 0.2544052
$p-value trigger
1 0.003287963
$precursor coincidence rate
1 0.8243243
$trigger coincidence rate
1 0.9285714
I want to make sure I'm understanding this properly. Based on the results, the null hypothesis can only be rejected for the trigger, which is statistically significant at the 0.003 level, and the coincidence rate is 0.92 (very high, is this equivalent to R2?). Can this be interpreted that eventB has a strong influence on eventA, but not the opposite?
Then I can plot these two events using the CC.plot function:
CC.plot(eventA,eventB,dates=c(1900:2040),delT=2, tau=2, seriesAname = 'EventA', seriesBname = 'EventB')
Which yields:
Is there any way to modify the graphical parameters in CC.plot? The dummy years are not visible in this plot. I'd like to change fonts, size, colours, etc. Is there any way to draw the same figure by calling the model output (ca.out)?
Thanks in advance!
I'll try to answer your questions:
Question #1: The most important problem that I see in your example is that your events are not "rare". Therefore the most important pre-condition of the analytical significance test that you used by default (sigtest="poisson") in not fulfilled. Another "problem" is, that the events in both series seem to be clustered (may also be an effect of the high number of events). I would recommend to use sigtest="shuffle.surrogate" which is more appropriate for this case. More information about the significance test can be found at Siegmund et al. 2017 (http://www.sciencedirect.com/science/article/pii/S0098300416305489)
Executing this reveals that both coincidence rates are not significant. By the way: with such a high number of events it is extremely unlikely that you would ever get a 'significant coincidence rate', because the chance that simultaneities occur by random is very very high.
Nevertheless, if the trigger coincidence rate would be significant and the precursor not, your interpretation is a possible one.
Question #2: The problem with the plot is again, that there are too many events (compared to what the method was originally designed for). This is why everything looks so messy. The function was ment to be more like a help to explain how the method works and what you have done.
If you e.g. only plot e.g. 20 years of your data
CC.plot(eventA[120:140],eventB[120:140],dates=c(2020:2040),delT=2, tau=2, seriesAname = 'EventA', seriesBname = 'EventB')
you will get a much better image, that yet, due to the high event-density of almost 50%, is not very nice.
CoinCalc plot
For now, there are no options to change the plot parameters. This might come for a future version of the package.
I hope that this helps you a bit!
I am looking for a simple method to assign a number to a mathematical expression, say between 0 and 1, that conveys how simplified that expression is (being 1 as fully simplified). For example:
eval('x+1') should return 1.
eval('1+x+1+x+x-5') should returns some value less than 1, because it is far from being simple (i.e., it can be further simplified).
The parameter of eval() could be either a string or an abstract syntax tree (AST).
A simple idea that occurred to me was to count the number of operators (?)
EDIT: Let simplified be equivalent to how close a system is to the solution of a problem. E.g., given an algebra problem (i.e. limit, derivative, integral, etc), it should assign a number to tell how close it is to the solution.
The closest metaphor I can come up with it how a maths professor would look at an incomplete problem and mentally assess it in order to tell how close the student is to the solution. Like in a math exam, were the student didn't finished a problem worth 20 points, but the professor assigns 8 out of 20. Why would he come up with 8/20, and can we program such thing?
I'm going to break a stack-overflow rule and post this as an answer instead of a comment, because not only I'm pretty sure the answer is you can't (at least, not the way you imagine), but also because I believe it can be educational up to a certain degree.
Let's assume that a criteria of simplicity can be established (akin to a normal form). It seems to me that you are very close to trying to solve an analogous to entscheidungsproblem or the halting problem. I doubt that in a complex rule system required for typical algebra, you can find a method that gives a correct and definitive answer to the number of steps of a series of term reductions (ipso facto an arbitrary-length computation) without actually performing it. Such answer would imply knowing in advance if such computation could terminate, and so contradict the fact that automatic theorem proving is, for any sufficiently powerful logic capable of representing arithmetic, an undecidable problem.
In the given example, the teacher is actually either performing that computation mentally (going step by step, applying his own sequence of rules), or gives an estimation based on his experience. But, there's no generic algorithm that guarantees his sequence of steps are the simplest possible, nor that his resulting expression is the simplest one (except for trivial expressions), and hence any quantification of "distance" to a solution is meaningless.
Wouldn't all this be true, your problem would be simple: you know the number of steps, you know how many steps you've taken so far, you divide the latter by the former ;-)
Now, returning to the criteria of simplicity, I also advice you to take a look on Hilbert's 24th problem, that specifically looked for a "Criteria of simplicity, or proof of the greatest simplicity of certain proofs.", and the slightly related proof compression. If you are philosophically inclined to further understand these subjects, I would suggest reading the classic Gödel, Escher, Bach.
Further notes: To understand why, consider a well-known mathematical artefact called the Mandelbrot fractal set. Each pixel color is calculated by determining if the solution to the equation z(n+1) = z(n)^2 + c for any specific c is bounded, that is, "a complex number c is part of the Mandelbrot set if, when starting with z(0) = 0 and applying the iteration repeatedly, the absolute value of z(n) remains bounded however large n gets." Despite the equation being extremely simple (you know, square a number and sum a constant), there's absolutely no way to know if it will remain bounded or not without actually performing an infinite number of iterations or until a cycle is found (disregarding complex heuristics). In this sense, every fractal out there is a rough approximation that typically usages an escape time algorithm as an heuristic to provide an educated guess whether the solution will be bounded or not.
There's a problem I've encountered a lot (in the broad fields of data analyis or AI). However I can't name it, probably because I don't have a formal CS background. Please bear with me, I'll give two examples:
Imagine natural language parsing:
The flower eats the cow.
You have a program that takes each word, and determines its type and the relations between them. There are two ways to interpret this sentence:
1) flower (substantive) -- eats (verb) --> cow (object)
using the usual SVO word order, or
2) cow (substantive) -- eats (verb) --> flower (object)
using a more poetic world order. The program would rule out other possibilities, e.g. "flower" as a verb, since it follows "the". It would then rank the remaining possibilites: 1) has a more natural word order than 2), so it gets more points. But including the world knowledge that flowers can't eat cows, 2) still wins. So it might return both hypotheses, and give 1) a score of 30, and 2) a score of 70.
Then, it remembers both hypotheses and continues parsing the text, branching off. One branch assumes 1), one 2). If a branch reaches a contradiction, or a ranking of ~0, it is discarded. In the end it presents ranked hypotheses again, but for the whole text.
For a different example, imagine optical character recognition:
** **
** ** *****
** *******
******* **
* ** **
** **
I could look at the strokes and say, sure this is an "H". After identifying the H, I notice there are smudges around it, and give it a slightly poorer score.
Alternatively, I could run my smudge recognition first, and notice that the horizontal line looks like an artifact. After removal, I recognize that this is ll or Il, and give it some ranking.
After processing the whole image, it can be Hlumination, lllumination or Illumination. Using a dictionary and the total ranking, I decide that it's the last one.
The general problem is always some kind of parsing / understanding. Examples:
Natural languages or ambiguous languages
OCR
Path finding
Dealing with ambiguous or incomplete user imput - which interpretations make sense, which is the most plausible?
I'ts recursive.
It can bail out early (when a branch / interpretation doesn't make sense, or will certainly end up with a score of 0). So it's probably some kind of backtracking.
It keeps all options in mind in light of ambiguities.
It's based off simple rules at the bottom can_eat(cow, flower) = true.
It keeps a plausibility ranking of interpretations.
It's recursive on a meta level: It can fork / branch off into different 'worlds' where it assumes different hypotheses when dealing with the next part of data.
It'll forward the individual rankings, probably using bayesian probability, to dependent hypotheses.
In practice, there will be methods to train this thing, determine ranking coefficients, and there will be cutoffs if the tree becomes too big.
I have no clue what this is called. One might guess 'decision tree' or 'recursive descent', but I know those terms mean different things.
I know Prolog can solve simple cases of this, like genealogies and finding out who is whom's uncle. But you have to give all the data in code, and it doesn't seem convienent or powerful enough to do this for my real life cases.
I'd like to know, what is this problem called, are there common strategies for dealing with this? Is there good literature on the topic? Are there libraries for ideally C(++), Python, were you can just define a bunch of rules, and it works out all the rankings and hypotheses?
I don't think there is one answer that fits all the bullet points you have. But I hope my links will lead you closer to an answer or might give you a different question.
I think the closest answer is Bayesian network since you have probabilities affecting each other as I understand it, it is also related to Conditional probability and Fuzzy Logic
You also describe a bit of genetic programming as well as Artificial Neural Networks
I can name drop some more topics which might be related:
http://en.wikipedia.org/wiki/Rule-based_programming
http://en.wikipedia.org/wiki/Expert_system
http://en.wikipedia.org/wiki/Knowledge_engineering
http://en.wikipedia.org/wiki/Fuzzy_system
http://en.wikipedia.org/wiki/Bayesian_inference