While trying to implement the Episodic Semi-gradient Sarsa with a Neural Network as the approximator I wondered how I choose the optimal action based on the currently learned weights of the network. If the action space is discrete I can just calculate the estimated value of the different actions in the current state and choose the one which gives the maximimum. But this seems to be not the best way of solving the problem. Furthermore, it does not work if the action space can be continous (like the acceleration of a self-driving car for example).
So, basicly I am wondering how to solve the 10th line Choose A' as a function of q(S', , w) in this pseudo-code of Sutton:
How are these problems typically solved? Can one recommend a good example of this algorithm using Keras?
Edit: Do I need to modify the pseudo-code when using a network as the approximator? So, that I simply minimize the MSE of the prediction of the network and the reward R for example?
I wondered how I choose the optimal action based on the currently learned weights of the network
You have three basic choices:
Run the network multiple times, once for each possible value of A' to go with the S' value that you are considering. Take the maximum value as the predicted optimum action (with probability of 1-ε, otherwise choose randomly for ε-greedy policy typically used in SARSA)
Design the network to estimate all action values at once - i.e. to have |A(s)| outputs (perhaps padded to cover "impossible" actions that you need to filter out). This will alter the gradient calculations slightly, there should be zero gradient applied to last layer inactive outputs (i.e. anything not matching the A of (S,A)). Again, just take the maximum valid output as the estimated optimum action. This can be more efficient than running the network multiple times. This is also the approach used by the recent DQN Atari games playing bot, and AlphaGo's policy networks.
Use a policy-gradient method, which works by using samples to estimate gradient that would improve a policy estimator. You can see chapter 13 of Sutton and Barto's second edition of Reinforcement Learning: An Introduction for more details. Policy-gradient methods become attractive for when there are large numbers of possible actions and can cope with continuous action spaces (by making estimates of the distribution function for optimal policy - e.g. choosing mean and standard deviation of a normal distribution, which you can sample from to take your action). You can also combine policy-gradient with a state-value approach in actor-critic methods, which can be more efficient learners than pure policy-gradient approaches.
Note that if your action space is continuous, you don't have to use a policy-gradient method, you could just quantise the action. Also, in some cases, even when actions are in theory continuous, you may find the optimal policy involves only using extreme values (the classic mountain car example falls into this category, the only useful actions are maximum acceleration and maximum backwards acceleration)
Do I need to modify the pseudo-code when using a network as the approximator? So, that I simply minimize the MSE of the prediction of the network and the reward R for example?
No. There is no separate loss function in the pseudocode, such as the MSE you would see used in supervised learning. The error term (often called the TD error) is given by the part in square brackets, and achieves a similar effect. Literally the term ∇q(S,A,w) (sorry for missing hat, no LaTex on SO) means the gradient of the estimator itself - not the gradient of any loss function.
I am generation some data whose plots are as shown below
In all the plots i get some outliers at the beginning and at the end. Currently i am truncating the first and the last 10 values. Is there a better way to handle this?
I am basically trying to automatically identify the two points shown below.
This is a fairly general problem with lots of approaches, usually you will use some a priori knowledge of the underlying system to make it tractable.
So for instance if you expect to see the pattern above - a fast drop, a linear section (up or down) and a fast rise - you could try taking the derivative of the curve and looking for large values and/or sign reversals. Perhaps it would help to bin the data first.
If your pattern is not so easy to define but you are expecting a linear trend you might fit the data to an appropriate class of curve using fit and then detect outliers as those whose error from the fit exceeds a given threshold.
In either case you still have to choose thresholds - mean, variance and higher order moments can help here but you would probably have to analyse existing data (your training set) to determine the values empirically.
And perhaps, after all that, as Shai points out, you may find that lopping off the first and last ten points gives the best results for the time you spent (cf. Pareto principle).
(Note: This is intended to be a community Wiki.)
Suppose I have a set of points xi = {x0,x1,x2,...xn} and corresponding function values fi = f(xi) = {f0,f1,f2,...,fn}, where f(x) is, in general, an unknown function. (In some situations, we might know f(x) ahead of time, but we want to do this generally, since we often don't know f(x) in advance.) What's a good way to approximate the derivative of f(x) at each point xi? That is, how can I estimate values of dfi == d/dx fi == df(xi)/dx at each of the points xi?
Unfortunately, MATLAB doesn't have a very good general-purpose, numerical differentiation routine. Part of the reason for this is probably because choosing a good routine can be difficult!
So what kinds of methods are there? What routines exist? How can we choose a good routine for a particular problem?
There are several considerations when choosing how to differentiate in MATLAB:
Do you have a symbolic function or a set of points?
Is your grid evenly or unevenly spaced?
Is your domain periodic? Can you assume periodic boundary conditions?
What level of accuracy are you looking for? Do you need to compute the derivatives within a given tolerance?
Does it matter to you that your derivative is evaluated on the same points as your function is defined?
Do you need to calculate multiple orders of derivatives?
What's the best way to proceed?
These are just some quick-and-dirty suggestions. Hopefully somebody will find them helpful!
1. Do you have a symbolic function or a set of points?
If you have a symbolic function, you may be able to calculate the derivative analytically. (Chances are, you would have done this if it were that easy, and you would not be here looking for alternatives.)
If you have a symbolic function and cannot calculate the derivative analytically, you can always evaluate the function on a set of points, and use some other method listed on this page to evaluate the derivative.
In most cases, you have a set of points (xi,fi), and will have to use one of the following methods....
2. Is your grid evenly or unevenly spaced?
If your grid is evenly spaced, you probably will want to use a finite difference scheme (see either of the Wikipedia articles here or here), unless you are using periodic boundary conditions (see below). Here is a decent introduction to finite difference methods in the context of solving ordinary differential equations on a grid (see especially slides 9-14). These methods are generally computationally efficient, simple to implement, and the error of the method can be simply estimated as the truncation error of the Taylor expansions used to derive it.
If your grid is unevenly spaced, you can still use a finite difference scheme, but the expressions are more difficult and the accuracy varies very strongly with how uniform your grid is. If your grid is very non-uniform, you will probably need to use large stencil sizes (more neighboring points) to calculate the derivative at a given point. People often construct an interpolating polynomial (often the Lagrange polynomial) and differentiate that polynomial to compute the derivative. See for instance, this StackExchange question. It is often difficult to estimate the error using these methods (although some have attempted to do so: here and here). Fornberg's method is often very useful in these cases....
Care must be taken at the boundaries of your domain because the stencil often involves points that are outside the domain. Some people introduce "ghost points" or combine boundary conditions with derivatives of different orders to eliminate these "ghost points" and simplify the stencil. Another approach is to use right- or left-sided finite difference methods.
Here's an excellent "cheat sheet" of finite difference methods, including centered, right- and left-sided schemes of low orders. I keep a printout of this near my workstation because I find it so useful.
3. Is your domain periodic? Can you assume periodic boundary conditions?
If your domain is periodic, you can compute derivatives to a very high order accuracy using Fourier spectral methods. This technique sacrifices performance somewhat to gain high accuracy. In fact, if you are using N points, your estimate of the derivative is approximately N^th order accurate. For more information, see (for example) this WikiBook.
Fourier methods often use the Fast Fourier Transform (FFT) algorithm to achieve roughly O(N log(N)) performance, rather than the O(N^2) algorithm that a naively-implemented discrete Fourier transform (DFT) might employ.
If your function and domain are not periodic, you should not use the Fourier spectral method. If you attempt to use it with a function that is not periodic, you will get large errors and undesirable "ringing" phenomena.
Computing derivatives of any order requires 1) a transform from grid-space to spectral space (O(N log(N))), 2) multiplication of the Fourier coefficients by their spectral wavenumbers (O(N)), and 2) an inverse transform from spectral space to grid space (again O(N log(N))).
Care must be taken when multiplying the Fourier coefficients by their spectral wavenumbers. Every implementation of the FFT algorithm seems to have its own ordering of the spectral modes and normalization parameters. See, for instance, the answer to this question on the Math StackExchange, for notes about doing this in MATLAB.
4. What level of accuracy are you looking for? Do you need to compute the derivatives within a given tolerance?
For many purposes, a 1st or 2nd order finite difference scheme may be sufficient. For higher precision, you can use higher order Taylor expansions, dropping higher-order terms.
If you need to compute the derivatives within a given tolerance, you may want to look around for a high-order scheme that has the error you need.
Often, the best way to reduce error is reducing the grid spacing in a finite difference scheme, but this is not always possible.
Be aware that higher-order finite difference schemes almost always require larger stencil sizes (more neighboring points). This can cause issues at the boundaries. (See the discussion above about ghost points.)
5. Does it matter to you that your derivative is evaluated on the same points as your function is defined?
MATLAB provides the diff function to compute differences between adjacent array elements. This can be used to calculate approximate derivatives via a first-order forward-differencing (or forward finite difference) scheme, but the estimates are low-order estimates. As described in MATLAB's documentation of diff (link), if you input an array of length N, it will return an array of length N-1. When you estimate derivatives using this method on N points, you will only have estimates of the derivative at N-1 points. (Note that this can be used on uneven grids, if they are sorted in ascending order.)
In most cases, we want the derivative evaluated at all points, which means we want to use something besides the diff method.
6. Do you need to calculate multiple orders of derivatives?
One can set up a system of equations in which the grid point function values and the 1st and 2nd order derivatives at these points all depend on each other. This can be found by combining Taylor expansions at neighboring points as usual, but keeping the derivative terms rather than cancelling them out, and linking them together with those of neighboring points. These equations can be solved via linear algebra to give not just the first derivative, but the second as well (or higher orders, if set up properly). I believe these are called combined finite difference schemes, and they are often used in conjunction with compact finite difference schemes, which will be discussed next.
Compact finite difference schemes (link). In these schemes, one sets up a design matrix and calculates the derivatives at all points simultaneously via a matrix solve. They are called "compact" because they are usually designed to require fewer stencil points than ordinary finite difference schemes of comparable accuracy. Because they involve a matrix equation that links all points together, certain compact finite difference schemes are said to have "spectral-like resolution" (e.g. Lele's 1992 paper--excellent!), meaning that they mimic spectral schemes by depending on all nodal values and, because of this, they maintain accuracy at all length scales. In contrast, typical finite difference methods are only locally accurate (the derivative at point #13, for example, ordinarily doesn't depend on the function value at point #200).
A current area of research is how best to solve for multiple derivatives in a compact stencil. The results of such research, combined, compact finite difference methods, are powerful and widely applicable, though many researchers tend to tune them for particular needs (performance, accuracy, stability, or a particular field of research such as fluid dynamics).
Ready-to-Go Routines
As described above, one can use the diff function (link to documentation) to compute rough derivatives between adjacent array elements.
MATLAB's gradient routine (link to documentation) is a great option for many purposes. It implements a second-order, central difference scheme. It has the advantages of computing derivatives in multiple dimensions and supporting arbitrary grid spacing. (Thanks to #thewaywewalk for pointing out this glaring omission!)
I used Fornberg's method (see above) to develop a small routine (nderiv_fornberg) to calculate finite differences in one dimension for arbitrary grid spacings. I find it easy to use. It uses sided stencils of 6 points at the boundaries and a centered, 5-point stencil in the interior. It is available at the MATLAB File Exchange here.
Conclusion
The field of numerical differentiation is very diverse. For each method listed above, there are many variants with their own set of advantages and disadvantages. This post is hardly a complete treatment of numerical differentiation.
Every application is different. Hopefully this post gives the interested reader an organized list of considerations and resources for choosing a method that suits their own needs.
This community wiki could be improved with code snippets and examples particular to MATLAB.
I believe there is more in to these particular questions. So I have elaborated on the subject further as follows:
(4) Q: What level of accuracy are you looking for? Do you need to compute the derivatives within a given tolerance?
A: The accuracy of numerical differentiation is subjective to the application of interest. Usually the way it works is, if you are using the ND in forward problem to approximate the derivatives to estimate features from signal of interest, then you should be aware of noise perturbations. Usually such artifacts contain high frequency components and by the definition of the differentiator, the noise effect will be amplified in the magnitude order of $i\omega^n$. So, increasing the accuracy of differentiator (increasing the polynomial accuracy) will no help at all. In this case you should be able to cancelt the effect of noise for differentiation. This can be done in casecade order: first smooth the signal, and then differentiate. But a better way of doing this is to use "Lowpass Differentiator". A good example of MATLAB library can be found here.
However, if this is not the case and you're using ND in inverse problems, such as solvign PDEs, then the global accuracy of differentiator is very important. Depending on what kind of bounady condition (BC) suits your problem, the design will be adapted accordingly. The rule of thump is to increase the numerical accuracy known is the fullband differentiator. You need to design a derivative matrix that takes care of suitable BC. You can find comprehensive solutions to such designs using the above link.
(5) Does it matter to you that your derivative is evaluated on the same points as your function is defined?
A: Yes absolutely. The evaluation of the ND on the same grid points is called "centralized" and off the points "staggered" schemes. Note that using odd order of derivatives, centralized ND will deviate the accuracy of frequency response of the differentiator. Therefore, if you're using such design in inverse problems, this will perturb your approximation. Also, the opposite applies to the case of even order of differentiation utilized by staggered schemes. You can find comprehensive explanation on this subject using the link above.
(6) Do you need to calculate multiple orders of derivatives?
This totally depends on your application at hand. You can refer to the same link I have provided and take care of multiple derivative designs.
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.
I have two datasets at the time (in the form of vectors) and I plot them on the same axis to see how they relate with each other, and I specifically note and look for places where both graphs have a similar shape (i.e places where both have seemingly positive/negative gradient at approximately the same intervals). Example:
So far I have been working through the data graphically but realize that since the amount of the data is so large plotting each time I want to check how two sets correlate graphically it will take far too much time.
Are there any ideas, scripts or functions that might be useful in order to automize this process somewhat?
The first thing you have to think about is the nature of the criteria you want to apply to establish the similarity. There is a wide variety of ways to measure similarity and the more precisely you can describe what you want for "similar" to mean in your problem the easiest it will be to implement it regardless of the programming language.
Having said that, here is some of the thing you could look at :
correlation of the two datasets
difference of the derivative of the datasets (but I don't think it would be robust enough)
spectral analysis as mentionned by #thron of three
etc. ...
Knowing the origin of the datasets and their variability can also help a lot in formulating robust enough algorithms.
Sure. Call your two vectors A and B.
1) (Optional) Smooth your data either with a simple averaging filter (Matlab 'smooth'), or the 'filter' command. This will get rid of local changes in velocity ("gradient") that appear to be essentially noise (as in the ascending component of the red trace.
2) Differentiate both A and B. Now you are directly representing the velocity of each vector (Matlab 'diff').
3) Add the two differentiated vectors together (element-wise). Call this C.
4) Look for all points in C whose absolute value is above a certain threshold (you'll have to eyeball the data to get a good idea of what this should be). Points above this threshold indicate highly similar velocity.
5) Now look for where a high positive value in C is followed by a high negative value, or vice versa. In between these two points you will have similar curves in A and B.
Note: a) You could do the smoothing after step 3 rather than after step 1. b) Re 5), you could have a situation in which a 'hill' in your data is at the edge of the vector and so is 'cut in half', and the vectors descend to baseline before ascending in the next hill. Then 5) would misidentify the hill as coming between the initial descent and subsequent ascent. To avoid this, you could also require that the points in A and B in between the two points of velocity similarity have high absolute values.