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Classification from scratch, neural nets 6/8

Sixth post of our series on classification from scratch. The latest one was on the lasso regression, which was still based on a logistic regression model, assuming that the variable of interest Y has a Bernoulli distribution. From now on, we will discuss technique that did not originate from those probabilistic models, even if they might still have a probabilistic interpretation. Somehow. Today, we will start with neural nets.

Maybe I should start with a disclaimer. The goal is not to replicate well designed R functions, used for predictive modeling. It is simply to get a basic understanding of what’s going on.

Networs, nodes and edges

First of all, neurals nets are nets, or networks. I will skip the parallel with “neural” stuff because it does not help me understanding what is happening (all apologies for my poor knowledge on biology, and cells)

So, it’s about some network. Networks have nodes, and edges (possibly connected) that connect nodes,

or maybe, to more specific (at least it helped me understanding what’s going on), some sort of flow network,

In such a network, we usually have sources (here multiple) sources (here \color{red}\{s_1,s_2,s_3\}), on the left, on a sink (here \{\color{blue}t\}), on the right. To continue with this metaphorical introduction, information from the sources should reach the sink. An usually, sources are explanatory variables, \{\mathbf{x}_1,\cdots,\mathbf{x}_p\}, and the sink is our variable of interest \mathbf{y}. And we want to create a graph, from the sources to the sink. We will have directed edges, with only one (unique) direction, where we will put weights. It is not a flow, the parallel with flow will stop here. For instance, the most simple network will be the following one, with no layer (i.e no node between the source and the sink)

The output here is a binary variable y\in\{0,1\} (it can also be y\in\{-1,+1\} but here, it’s not a big deal). In our network, our output will be y\in(0,1), because it is more easy to handly. For instance, consider y=f(something), for some function f taking values in (0,1). One can consider the sigmoid functionf(x)=\frac{1}{1+e^{-x}}=\frac{e^{x}}{e^{x}+1}which is actually the logistic function (so we should not be surprised to have results somehow close the logistic regression…). This function f is called the activation function, and there are thousands of such functions. If y\in\{-1,+1\}, people consider the hyperbolic tangentf(x)=\tanh(x)={\frac {(e^{x}-e^{-x})}{(e^{x}+e^{-x})}}or the inverse tangent function
f(x)=\tan ^{-1}(x)And as input for such function, we consider a weighted sum of incoming nodes. So herey_i=f\left(\sum_{j=1}^p\omega_j x_{j,i}\right)We can also add a constant actuallyy_i=f\left(\omega_0+\sum_{j=1}^p\omega_j x_{j,i}\right)So far, we are not far away from the logistic regression. Except that our starting point was a probabilistic model, in the sense that the later was interpreted as a probability (the probability that Y=1) and we wanted the model with the highest likelihood. But we’ll talk about selection of weights later on. First, let us construct our first (very simple) neural network. First, we have the sigmoid function

sigmoid = function(x) 1 / (1 + exp(-x))

The consider some weights. In our model with seven explanatory variables, with need 7 weights. Or 8 if we include the constant term. Let us consider \mathbf{\omega}=\mathbf{1},

weights_0 = rep(1,8)
X = as.matrix(cbind(1,myocarde[,1:7]))
y_5_1 = sigmoid(X %*% weights_0)

that’s kind of stupid because all our predictions are 1, here. Let us try something else. Like \mathbf{\omega}=\widehat{\mathbf{\beta}}^{ols}. It is optimized, somehow, but we needed something to visualize what’s going on

weights_0 = lm(PRONO~.,data=myocarde)$coefficients

then use

y_5_1 = sigmoid(X %*% weights_0)

In order to see if we get a “good” prediction, let use plot the ROC curve, and compare it with the one we got with a (simple) logistic regression

pred = ROCR::prediction(y_5_1,myocarde$PRONO)
perf = ROCR::performance(pred,"tpr", "fpr")
reg = glm(PRONO~.,data=myocarde,family=binomial(link = "logit"))
y_0 = predict(reg,type="response")
pred0 = ROCR::prediction(y_0,myocarde$PRONO)
perf0 = ROCR::performance(pred0,"tpr", "fpr")

That’s not bad for a very first attempt. Except that we’ve been cheating here, since we did use \mathbf{\omega}=\widehat{\mathbf{\beta}}^{ols}. How, for real, should we choose those weights?

Using a loss function

Well, if we want an “optimal” set of weights, we need to “optimize” an objective function. So we need to quantify the loss of a mistake, between the prediction, and the observation. Consider here a quadratic loss function

loss = function(weights){
  mean( (myocarde$PRONO-sigmoid(X %*% weights))^2) }

It might be stupid to use a quadratic loss function for a classification, but here, it’s not the point. We just want to understand what is the algorithm we use, and the loss function \ell is just one parameter. Then we want to solve\mathbf{\omega}^\star=\text{argmin}\left\lbrace\frac{1}{n}\sum_{i=1}^n\ell\left(y_i,f(\omega_0+\mathbf{x}_i^T\mathbf{\omega})\right)\right\rbraceThus, consider

weights_1 = optim(weights_0,loss)$par

(where the starting point is the OLS estimate). Again, to see what’s going on, let us visualize the ROC curve

y_5_2 = sigmoid(X %*% weights_1)
pred = ROCR::prediction(y_5_2,myocarde$PRONO)
perf = ROCR::performance(pred,"tpr", "fpr")

That’s not amazing, but again, that’s only a first step.

A single layer

Let us add a single layer in our network.

Those nodes are connected to the sources (incoming from sources) from the left, and then connected to the sink, on the right. Those nodes are not inter-connected. And again, for that network, we need edges (i.e series of weights). For instance, on the network above, we did add one single layer, with (only) three nodes.

For such a network, the prediction formula is \mathbf{y}=f\left( \omega_0+ \sum_{h=1}^3\omega_h f_h\left(\omega_{h,0}+ \sum_{j=1}^p \omega_{h,j} x_j\right)\right)or more synthetically\mathbf{y}=f\left( \omega_0+ \sum_{h=1}^3 \omega_hf_h\left(\omega_{h,0}+ \mathbf{x}^T\mathbf{\omega}_h\right)\right)Usually, we consider the same activation function everywhere. Don’t ask me why, I find that weird.

Now, we have a lot of weights to choose. Let us use again OLS estimates

weights_1 <- lm(PRONO~1+FRCAR+INCAR+INSYS+PAPUL+PVENT,data=myocarde)$coefficients
X1 = as.matrix(cbind(1,myocarde[,c("FRCAR","INCAR","INSYS","PAPUL","PVENT")]))
weights_2 <- lm(PRONO~1+INSYS+PRDIA,data=myocarde)$coefficients
weights_3 <- lm(PRONO~1+PAPUL+PVENT+REPUL,data=myocarde)$coefficients

In that case, we did specify edges, and which sources (explanatory variables) should be used for each additional node. Actually, here, other techniques could be have been used, like using a PCA. Each node will then be one of the components. But we’ll use that idea later on…

X = cbind(sigmoid(X1 %*% weights_1), sigmoid(X2 %*% weights_2), sigmoid(X3 %*% weights_3))

But we’re not done here. Those were weights from the source to the know nodes, in the layer. We still need the weights from the nodes to the sink. Here, let use use a simple average

weights = c(1/3,1/3,1/3)
y_5_3 <- sigmoid(X %*% weights)

Again, we can plot the ROC curve to see what we’ve done…

pred = ROCR::prediction(y_5_3,myocarde$PRONO)
perf = ROCR::performance(pred,"tpr", "fpr")

On back propagation

Now, we need some optimal selection of those weights. Observe that with only 3 nodes, there are already (7+1)\times3+3=27 parameters in that model! Clearly, parcimony is not the major issue when you start using neural nets! If p(\mathbf{x})=f\left( \omega_0+ \sum_{h=1}^3 \omega_hf_h\left(\omega_{h,0}+ \mathbf{x}^T\mathbf{\omega}_h\right)\right)we want to solve\mathbf{\omega}^\star=\text{argmin}\left\lbrace\frac{1}{n}\sum_{i=1}^n\ell\left(y_i,p(\mathbf{x}_i)\right)\right\rbracefor some loss function, which is\mathbf{\omega}^\star=\text{argmin}\left\lbrace\frac{1}{n}\sum_{i=1}^n (y_i-p(\mathbf{x}_i))^2 \right\rbracefor the quadratic norm, or\mathbf{\omega}^\star=\text{argmin}\left\lbrace\frac{1}{n}\sum_{i=1}^n (y_i\log p(\mathbf{x}_i)+[1-y_i]\log [1-p(\mathbf{x}_i)]) \right\rbraceif we want to use cross-entropy.

For convenience, let us center all the variable we create, otherwise, we get numerical problems.

center = function(z) (z-mean(z))/sd(z)
loss = function(weights){
weights_1 = weights[0+(1:7)]
weights_2 = weights[7+(1:7)]
weights_3 = weights[14+(1:7)]
weights_  = weights[21+1:4]
Z1 = center(X1 %*% weights_1)
Z2 = center(X2 %*% weights_2)
Z3 = center(X3 %*% weights_3)
X = cbind(1,sigmoid(Z1), sigmoid(Z2), sigmoid(Z3))
mean( (myocarde$PRONO-sigmoid(X %*% weights_))^2)}

Now that we have our objective function, consider some starting points. We can consider weights from a PCA, and then use a gradient descent algorithm,

pca = princomp(myocarde[,1:7])
W = get_pca_var(pca)$contrib
weights_0 = c(W[,1],W[,2],W[,3],c(-1,rep(1,3)/3))
weights_opt = optim(weights_0,loss)$par

The prediction is then obtained using

weights_1 = weights_opt[0+(1:7)]
weights_2 = weights_opt[7+(1:7)]
weights_3 = weights_opt[14+(1:7)]
weights_  = weights_opt[21+1:4]
Z1 = center(X1 %*% weights_1)
Z2 = center(X2 %*% weights_2)
Z3 = center(X3 %*% weights_3)
X = cbind(1,sigmoid(Z1), sigmoid(Z2), sigmoid(Z3))
y_5_4 = sigmoid(X %*% weights_)

And as previously, why not plot the ROC curve of that model

pred = ROCR::prediction(y_5_4,myocarde$PRONO)
perf = ROCR::performance(pred,"tpr", "fpr")

That’s not too bad. But with 27 coefficients, that’s what we would expect, no?

Using nnet() function

That’s more or less what is done in neural nets functions. Let us now have a look at some dedicated R functions.

myocarde_minmax = myocarde
minmax = function(z) (z-min(z))/(max(z)-min(z))
for(j in 1:7) myocarde_minmax[,j] = minmax(myocarde_minmax[,j])

Here, variables are linearly transformed, to take values in (0,1). Then we can construct a neural network with one single layer, and three nodes,

model_nnet = nnet(PRONO~.,data=myocarde_minmax,size=3)
a 7-3-1 network with 28 weights
options were -
 b->h1 i1->h1 i2->h1 i3->h1 i4->h1 i5->h1 i6->h1 i7->h1 
 -9.60  -1.79  21.00  14.72 -20.45  -5.05  14.37 -17.37 
 b->h2 i1->h2 i2->h2 i3->h2 i4->h2 i5->h2 i6->h2 i7->h2 
  4.72   2.83  -3.37  -1.64   1.49   2.12   2.31   4.00 
 b->h3 i1->h3 i2->h3 i3->h3 i4->h3 i5->h3 i6->h3 i7->h3 
 -0.58  -6.03  25.14  18.03  -1.19   7.52 -19.47 -12.95 
  b->o  h1->o  h2->o  h3->o 
 -1.32  29.00 -10.32  26.27

Here, it is the complete full network. And actually, there are (online) some functions that can he used to visualize that network


Nice, isn’t it? We clearly see the intermediary layer, with three nodes, and on top the constants. Edges are the plain lines, the darker, the heavier (in terms of weights).

Using neuralnet()

Other R functions can actually be considered.

model_nnet = neuralnet(formula(glm(PRONO~.,data=myocarde_minmax)),
myocarde_minmax,hidden=3, act.fct = sigmoid)

Again, for the same network structure, with one (hidden) layer, and three nodes in it.

Network with multiple layers

The good thing is that it’s not possible to add more layers. Like two layers. Nodes from the first layer are no longuer connected with the sink, but with nodes in the second layer. And those nodes will then be connected to the sink. We now have something like
p(\mathbf{x})=f\left( \omega_0+ \sum_{h=1}^3 \omega_h f_h\left(\omega_{h,0}+ \mathbf{z}_h^T\mathbf{\omega}_h\right)\right)where\mathbf{z}_h=f\left( \omega_{h,0}+ \sum_{j=1}^{k_h} \omega_{h,j} f_{h,j}\left(\omega_{h,j,0}+ \mathbf{x}^T\mathbf{\omega}_{h,j}\right)\right)I may be rambling here (a little bit) but that’s a lot of parameters. Here is the visualization of such a network,

model_nnet = neuralnet(formula(glm(PRONO~.,data=myocarde_minmax)),
myocarde_minmax,hidden=3, act.fct = sigmoid)


Let us get back on our simple dataset, with only two covariates.

df_minmax =df
minmax = function(z) (z-min(z))/(max(z)-min(z))
for(j in 1:2) df_minmax[,j] = minmax(df[,j])
X = as.matrix(cbind(1,df_minmax[,1:2]))

Consider only one layer, with two nodes

model_nnet = neuralnet(formula(lm(y~.,data=df_minmax)),

Here, we did not specify it, but the activation function is the sigmoid (actually, it is called logistic here)

function (x) 
    1/(1 + exp(-x))
[1] "logistic"

The weights (on the figure) can be obtained using

w0 = model_nnet$weights[[1]][[2]][,1]
w1 = model_nnet$weights[[1]][[1]][,1]
w2 = model_nnet$weights[[1]][[1]][,2]

Now, to get our prediction,
we should usep(\mathbf{x})=f\left( \omega_0+ \omega_1 f(\omega_{1,0}+ \mathbf{x}_h^T\mathbf{\omega}_{1,1:2})+\omega_1 f(\omega_{2,0}+ \mathbf{x}_h^T\mathbf{\omega}_{2,1:2})\right)which can be obtained using

 [1,] 0.7336477343
 [2,] 0.7317999050
 [3,] 0.7185803540
 [4,] 0.7404005280
 [5,] 0.7518482779
 [6,] 0.4939774149
 [7,] 0.4965876378
 [8,] 0.7101714888
 [9,] 0.5050760026
[10,] 0.5049877644

Unfortunately, it is not the output of the model here,

Data Error:	0;
       x1           x2              y
1  0.1250 0.0000000000  0.02030470787
2  0.0625 0.1176470588  0.89621706711
3  0.9375 0.2352941176  0.01995171956
4  0.0000 0.4705882353  1.10849420363
5  0.5000 0.4705882353 -0.01364966058
6  0.3125 0.5294117647 -0.02409150561
7  0.6875 0.8235294118  0.93743057765
8  0.3750 0.8823529412  1.01320924782
9  1.0000 0.9058823529  1.04805134309
10 0.5625 1.0000000000  1.00377379767

If anyone has a clue, I’d be glad to know what went wrong here… I find that odd to have outputs outside the (0,1) interval, but the output is neitherp(\mathbf{x})=\omega_{0,0}+ \omega_{0,1} f(\omega_{1,0}+ \mathbf{x}_h^T\mathbf{\omega}_{1,1:2})+\omega_{0,2} f(\omega_{2,0}+ \mathbf{x}_h^T\mathbf{\omega}_{2,1:2})

 [1,]  1.01320924782
 [2,]  1.00377379767
 [3,]  0.93743057765
 [4,]  1.04805134309
 [5,]  1.10849420363
 [6,] -0.02409150561
 [7,] -0.01364966058
 [8,]  0.89621706711
 [9,]  0.02030470787
[10,]  0.01995171956

(to be continued…)

Classification from scratch, penalized Ridge logistic 4/8

Fourth post of our series on classification from scratch, following the previous post which was some sort of detour on kernels. But today, we’ll get back on the logistic model.

Formal approach of the problem

We’ve seen before that the classical estimation technique used to estimate the parameters of a parametric model was to use the maximum likelihood approach. More specifically, \widehat{\mathbf{\beta}}=\text{argmax}\lbrace \log\mathcal{L}(\mathbf{\beta}|\mathbf{x},\mathbf{y})\rbraceThe objective function here focuses (only) on the goodness of fit. But usually, in econometrics, we believe something like non sunt multiplicanda entia sine necessitate (“entities are not to be multiplied without necessity”), the parsimony principle, simpler theories are preferable to more complex ones. So we want to penalize for too complex models.

This is not a bad idea. It is mentioned here and there in econometrics textbooks, but usually, for model choice, not about the inference. Usually, we estimate parameters using maximum likelihood techniques, and them we use AIC or BIC to compare two models. Recall that Akaike (AIC) criteria is based on-2\log\mathcal{L}(\widehat{\mathbf{\beta}}|\mathbf{x},\mathbf{y})+2\text{dim}(\widehat{\mathbf{\beta}})We have on the left a measure for the goodness of fit, and on the right, a penalty increasing with the “complexity” of the model.

Very quickly, here, the complexity is the number of variates used. I will not enter into details about the concept of sparsity (and the true dimension of the problem), I will recommend to read the book by Martin Wainwright, Robert Tibshirani and Trevor Hastie on that issue. But assume that we do not make and variable selection, we consider the regression on all covariates. Define\Vert\mathbf{a} \Vert_{\ell_0}=\sum_{i=1}^d \mathbf{1}(a_i\neq 0), ~~\Vert\mathbf{a} \Vert_{\ell_1}=\sum_{i=1}^d |a_i|,~~\Vert\mathbf{a} \Vert_{\ell_2}=\left(\sum_{i=1}^d a_i^2\right)^{1/2}for any \mathbf{a}\in\mathbb{R}^d. One might say that the AIC could be written-2\log\mathcal{L}(\widehat{\mathbf{\beta}}|\mathbf{x},\mathbf{y})+2\|\widehat{\mathbf{\beta}}\|_{\ell_0}And actually, this will be our objective function. More specifically, we will consider
\widehat{\mathbf{\beta}}_{\lambda}=\text{argmin}\lbrace -\log\mathcal{L}(\mathbf{\beta}|\mathbf{x},\mathbf{y})+\lambda\|\mathbf{\beta}\|\rbracefor some norm \|\cdot\|. I will not get back here on the motivation and the (theoretical) properties of those estimates (that will actually be discussed in the Summer School in Barcelona, in July), but in this post, I want to discuss the numerical algorithm to solve such optimization problem, for \|\cdot\|_{\ell_2} (the Ridge regression) and for \|\cdot\|_{\ell_1} (the LASSO regression).

Normalization of the covariates

The problem of \|\mathbf{\beta}\| is that the norm should make sense, somehow. A small \mathbf{\beta}_j is with respect to the “dimension” of x_j‘s. So, the first step will be to consider linear transformations of all covariates x_j to get centered and scaled variables (with unit variance)

y = myocarde$PRONO
X = myocarde[,1:7]
for(j in 1:7) X[,j] = (X[,j]-mean(X[,j]))/sd(X[,j])
X = as.matrix(X)

Ridge Regression (from scratch)

Before running some codes, recall that we want to solve something like\widehat{\mathbf{\beta}}_{\lambda}=\text{argmin}\lbrace -\log\mathcal{L}(\mathbf{\beta}|\mathbf{x},\mathbf{y})+\lambda\|\mathbf{\beta}\|_{\ell_2}^2\rbrace In the case where we consider the log-likelihood of some Gaussian variable, we get the sum of the square of the residuals, and we can obtain an explicit solution. But not in the context of a logistic regression.

The heuristics about Ridge regression is the following graph. In the background, we can visualize the (two-dimensional) log-likelihood of the logistic regression, and the blue circle is the constraint we have, if we rewite the optimization problem as a contrained optimization problem : \min_{\mathbf{\beta}:\|\mathbf{\beta}\|^2_{\ell_2}\leq s} \lbrace \sum_{i=1}^n -\log\mathcal{L}(y_i,\beta_0+\mathbf{x}^T\mathbf{\beta}) \rbracecan be written equivalently (it is a strictly convex problem)\min_{\mathbf{\beta},\lambda} \lbrace -\sum_{i=1}^n \log\mathcal{L}(y_i,\beta_0+\mathbf{x}^T\mathbf{\beta}) +\lambda \|\mathbf{\beta}\|_{\ell_2}^2 \rbraceThus, the constrained maximum should lie in the blue disk

LogLik = function(bbeta){
  sum(-y*log(1 + exp(-(b0+X%*%beta))) - 
  (1-y)*log(1 + exp(b0+X%*%beta)))}
u = seq(-4,4,length=251)
v = outer(u,u,function(x,y) LogLik(c(1,x,y)))
u = seq(-1,1,length=251)

Let us consider the objective function, with the following code

PennegLogLik = function(bbeta,lambda=0){
  b0   = bbeta[1]
  beta = bbeta[-1]
 -sum(-y*log(1 + exp(-(b0+X%*%beta))) - (1-y)*
  log(1 + exp(b0+X%*%beta)))+lambda*sum(beta^2)

Why not try a standard optimisation routine ? In the very first post on that series, we did mention that using optimization routines were not clever, since they were strongly relying on the starting point. But here, it is not the case

lambda = 1
beta_init = lm(PRONO~.,data=myocarde)$coefficients
vpar = matrix(NA,1000,8)
for(i in 1:1000){
vpar[i,] = optim(par = beta_init*rnorm(8,1,2), 
function(x) PennegLogLik(x,lambda), method = "BFGS", control = list(abstol=1e-9))$par}

Clearly, even if we change the starting point, it looks like we converge towards the same value. That could be considered as the optimum.

The code to compute \widehat{\mathbf{\beta}}_{\lambda} would then be

opt_ridge = function(lambda){
beta_init = lm(PRONO~.,data=myocarde)$coefficients
logistic_opt = optim(par = beta_init*0, function(x) PennegLogLik(x,lambda), 
method = "BFGS", control=list(abstol=1e-9))

and we can visualize the evolution of \widehat{\mathbf{\beta}}_{\lambda} as a function of {\lambda}

v_lambda = c(exp(seq(-2,5,length=61)))
est_ridge = Vectorize(opt_ridge)(v_lambda)
colrs = brewer.pal(7,"Set1")
for(i in 2:7) lines(v_lambda,est_ridge[i,],col=colrs[i])

At least it seems to make sense: we can observe the shrinkage as \lambda increases (we’ll get back to that later on).

Ridge, using Netwon Raphson algorithm

We’ve seen that we can also use Newton Raphson to solve this problem. Without the penalty term, the algorithm was\mathbf{\beta}_{new} = \mathbf{\beta}_{old} - \left(\frac{\partial^2\log\mathcal{L}(\mathbf{\beta}_{old})}{\partial\mathbf{\beta}\partial\mathbf{\beta}^T}\right)^{-1}\cdot \frac{\partial\log\mathcal{L}(\mathbf{\beta}_{old})}{\partial\mathbf{\beta}}where
\frac{\partial\log\mathcal{L}(\mathbf{\beta}_{old})}{\partial\mathbf{\beta}}=\mathbf{X}^T(\mathbf{y}-\mathbf{p}_{old})and\frac{\partial^2\log\mathcal{L}(\mathbf{\beta}_{old})}{\partial\mathbf{\beta}\partial\mathbf{\beta}^T}=-\mathbf{X}^T\mathbf{\Delta}_{old}\mathbf{X}where \mathbf{\Delta}_{old} is the diagonal matrix with terms \mathbf{p}_{old}(1-\mathbf{p}_{old}) on the diagonal.

Thus\mathbf{\beta}_{new} = \mathbf{\beta}_{old} + (\mathbf{X}^T\mathbf{\Delta}_{old}\mathbf{X})^{-1}\mathbf{X}^T[\mathbf{y}-\mathbf{p}_{old}]that we can also write\mathbf{\beta}_{new} =(\mathbf{X}^T\mathbf{\Delta}_{old}\mathbf{X})^{-1}\mathbf{X}^T\mathbf{\Delta}_{old}\mathbf{z}where \mathbf{z}=\mathbf{X}\mathbf{\beta}_{old}+\mathbf{\Delta}_{old}^{-1}[\mathbf{y}-\mathbf{p}_{old}]. Here, on the penalized problem, we can easily prove that\frac{\partial\log\mathcal{L}_p(\mathbf{\beta}_{\lambda,old})}{\partial\mathbf{\beta}}=\frac{\partial\log\mathcal{L}(\mathbf{\beta}_{\lambda,old})}{\partial\mathbf{\beta}}-2\lambda\mathbf{\beta}_{old}while\frac{\partial^2\log\mathcal{L}_p(\mathbf{\beta}_{\lambda,old})}{\partial\mathbf{\beta}\partial\mathbf{\beta}^T}=\frac{\partial^2\log\mathcal{L}(\mathbf{\beta}_{\lambda,old})}{\partial\mathbf{\beta}\partial\mathbf{\beta}^T}-2\lambda\mathbb{I}Hence\mathbf{\beta}_{\lambda,new} =(\mathbf{X}^T\mathbf{\Delta}_{old}\mathbf{X}+2\lambda\mathbb{I})^{-1}\mathbf{X}^T\mathbf{\Delta}_{old}\mathbf{z}
The code is then

Y = myocarde$PRONO
X = myocarde[,1:7]
for(j in 1:7) X[,j] = (X[,j]-mean(X[,j]))/sd(X[,j])
X = as.matrix(X)
X = cbind(1,X)
colnames(X) = c("Inter",names(myocarde[,1:7]))
 beta = as.matrix(lm(Y~0+X)$coefficients,ncol=1)
 for(s in 1:9){
   pi = exp(X%*%beta[,s])/(1+exp(X%*%beta[,s]))
   Delta = matrix(0,nrow(X),nrow(X));diag(Delta)=(pi*(1-pi))
   z = X%*%beta[,s] + solve(Delta)%*%(Y-pi)
   B = solve(t(X)%*%Delta%*%X+2*lambda*diag(ncol(X))) %*% (t(X)%*%Delta%*%z)
   beta = cbind(beta,B)}
              [,1]        [,2]        [,3]
XInter  0.59619654  0.59619654  0.59619654
XFRCAR  0.09217848  0.09217848  0.09217848
XINCAR  0.77165707  0.77165707  0.77165707
XINSYS  0.69678521  0.69678521  0.69678521
XPRDIA -0.29575642 -0.29575642 -0.29575642
XPAPUL -0.23921101 -0.23921101 -0.23921101
XPVENT -0.33120792 -0.33120792 -0.33120792
XREPUL -0.84308972 -0.84308972 -0.84308972

Again, it seems that convergence is very fast.

And interestingly, with that algorithm, we can also derive the variance of the estimator\text{Var}[\widehat{\mathbf{\beta}}_{\lambda}]=[\mathbf{X}^T\mathbf{\Delta}\mathbf{X}+2\lambda\mathbb{I}]^{-1}\mathbf{X}^T\mathbf{\Delta}\text{Var}[\mathbf{z}]\mathbf{\Delta}\mathbf{X}[\mathbf{X}^T\mathbf{\Delta}\mathbf{X}+2\lambda\mathbb{I}]^{-1}where\text{Var}[\mathbf{z}]=\mathbf{\Delta}^{-1}

The code to compute \widehat{\mathbf{\beta}}_{\lambda} as a function of \lambda is then

newton_ridge = function(lambda=1){
 beta = as.matrix(lm(Y~0+X)$coefficients,ncol=1)*runif(8)
 for(s in 1:20){
   pi = exp(X%*%beta[,s])/(1+exp(X%*%beta[,s]))
   Delta = matrix(0,nrow(X),nrow(X));diag(Delta)=(pi*(1-pi))
   z = X%*%beta[,s] + solve(Delta)%*%(Y-pi)
   B = solve(t(X)%*%Delta%*%X+2*lambda*diag(ncol(X))) %*% (t(X)%*%Delta%*%z)
   beta = cbind(beta,B)}
Varz = solve(Delta)
Varb = solve(t(X)%*%Delta%*%X+2*lambda*diag(ncol(X))) %*% t(X)%*% Delta %*% Varz %*%
  Delta %*% X %*% solve(t(X)%*%Delta%*%X+2*lambda*diag(ncol(X)))

We can visualize the evolution of \widehat{\mathbf{\beta}}_{\lambda} (as a function of \lambda)

est_ridge=Vectorize(function(x) newton_ridge(x)$beta)(v_lambda)
for(i in 2:7) lines(v_lambda,est_ridge[i,],col=colrs[i])

and to get the evolution of the variance

est_ridge=Vectorize(function(x) newton_ridge(x)$sd)(v_lambda)
for(i in 2:7) lines(v_lambda,est_ridge[i,],col=colrs[i],lwd=2)

Recall that when \lambda=0 (on the left of the graphs), \widehat{\mathbf{\beta}}_{0}=\widehat{\mathbf{\beta}}^{mco} (no penalty). Thus as \lambda increase (i) the bias increase (estimates tend to 0) (ii) the variances deacrease.

Ridge, using glmnet

As always, there are R functions availble to run a ridge regression. Let us use the glmnet function, with \alpha=0

y = myocarde$PRONO
X = myocarde[,1:7]
for(j in 1:7) X[,j] = (X[,j]-mean(X[,j]))/sd(X[,j])
X = as.matrix(X)
glm_ridge = glmnet(X, y, alpha=0)

as a function of the norm

the \ell_1 norm here, I don’t know why. I don’t know either why all graphs obtained with different optimisation routines are so different… Maybe that will be for another post…

Ridge with orthogonal covariates

An interesting case is obtained when covariates are orthogonal. This can be obtained using a PCA of the covariates.

pca = princomp(X)
pca_X = get_pca_ind(pca)$coord

Let us run a ridge regression on those (orthogonal) covariates

glm_ridge = glmnet(pca_X, y, alpha=0)


We clearly observe the shrinkage of the parameters, in the sense that \widehat{\mathbf{\beta}}_{\lambda}^{\perp}=\frac{\widehat{\mathbf{\beta}}^{mco}}{1+\lambda}


Let us try with our second set of data

df0 = df
plot_lambda = function(lambda){
m = apply(df0,2,mean)
s = apply(df0,2,sd)
for(j in 1:2) df0[,j] = (df0[,j]-m[j])/s[j]
reg = glmnet(cbind(df0$x1,df0$x2), df0$y==1, alpha=0,lambda=lambda)
u = seq(0,1,length=101)
p = function(x,y){
  xt = (x-m[1])/s[1]
  yt = (y-m[2])/s[2]
v = outer(u,u,p)
contour(u,u,v,levels = .5,add=TRUE)

We can try various values of \lambda

reg = glmnet(cbind(df0$x1,df0$x2), df0$y==1, alpha=0)


reg = glmnet(cbind(df0$x1,df0$x2), df0$y==1, alpha=0)

Next step is to change the norm of the penality, with the \ell_1 norm (to be continued…)

Classification from scratch, logistic with kernels 3/8

Third post of our series on classification from scratch, following the previous post introducing smoothing techniques, with (b)-splines. Consider here kernel based techniques. Note that here, we do not use the “logistic” model… it is purely non-parametric.

kernel based estimated, from scratch

I like kernels because they are somehow very intuitive. With GLMs, the goal is to estimate \hat{m}(\mathbf{x})=\mathbb{E}(Y|\mathbf{X}=\mathbf{x}). Heuritically, we want to compute the (conditional) expected value on the neighborhood of \mathbf{x}. If we consider some spatial model, where \mathbf{x} is the location, we want the expected value of some variable Y, “on the neighborhood” of \mathbf{x}. A natural approach is to use some administrative region (county, departement, region, etc). This means that we have a partition of \mathcal{X} (the space with the variable(s) lies). This will yield the regressogram, introduced in Tukey (1961). For convenience, assume some interval / rectangle / box type of partition. In the univariate case, consider \hat{m}_{\mathbf{a}}(x)=\frac{\sum_{i=1}^n \mathbf{1}(x_i\in[a_j,a_{j+1}))y_i}{\sum_{i=1}^n \mathbf{1}(x_i\in[a_j,a_{j+1}))}or the moving regressogram \hat{m}(x)=\frac{\sum_{i=1}^n \mathbf{1}(x_i\in[x\pm h])y_i}{\sum_{i=1}^n \mathbf{1}(x_i\in[x\pm h])}In that case, the neighborhood is defined as the interval (x\pm h). That’s nice, but clearly very simplistic. If \mathbf{x}_i=\mathbf{x} and \mathbf{x}_j=\mathbf{x}-h+\varepsilon (with \varepsilon>0), both observations are used to compute the conditional expected value. But if \mathbf{x}_{j'}=\mathbf{x}-h-\varepsilon, only \mathbf{x}_i is considered. Even if the distance between \mathbf{x}_{j} and \mathbf{x}_{j'} is extremely extremely small. Thus, a natural idea is to use weights that are function of the distance between \mathbf{x}_{i}‘s and \mathbf{x}.Use\tilde{m}(x)=\frac{\sum_{i=1}^ny_i\cdot k_h\left({x-x_i}\right)}{\sum_{i=1}^nk_h\left({x-x_i}\right)}where (classically)k_h(x)=k\left(\frac{x}{h}\right)for some kernel k (a non-negative function that integrates to one) and some bandwidth h. Usually, kernels are denoted with capital letter K, but I prefer to use k, because it can be interpreted as the density of some random noise we add to all observations (independently).

Actually, one can derive that estimate by using kernel-based estimators of densities. Recall that\tilde{f}(\mathbf{y})=\frac{1}{n|\mathbf{H}|^{1/2}}\sum_{i=1}^n k\left(\mathbf{H}^{-1/2}(\mathbf{y}-\mathbf{y}_i)\right)
Now, use the fact that the expected value can be defined asm(x)=\int yf(y|x)dy=\frac{\int y f(y,x)dy}{\int f(y,x)dy}Consider now a bivariate (product) kernel to estimate the joint density. The numerator is estimated by\frac{1}{nh}\sum_{i=1}^n\int y_i k\left(t,\frac{x-x_i}{h}\right)dt=\frac{1}{nh}\sum_{i=1}^ny_i \kappa\left(\frac{x-x_i}{h}\right)while the denominator is estimated by\frac{1}{nh^2}\sum_{i=1}^n \int k\left(\frac{y-y_i}{h},\frac{x-x_i}{h}\right)=\frac{1}{nh}\sum_{i=1}^n\kappa\left(\frac{x-x_i}{h}\right)In a general setting, we still use product kernels between Y and \mathbf{X} and write \widehat{m}_{\mathbf{H}}(\mathbf{x})=\displaystyle{\frac{\sum_{i=1}^ny_i\cdot k_{\mathbf{H}}(\mathbf{x}_i-\mathbf{x})}{\sum_{i=1}^n k_{\mathbf{H}}(\mathbf{x}_i-\mathbf{x})}}for some symmetric positive definite bandwidth matrix \mathbf{H}, and k_{\mathbf{H}}(\mathbf{x})=\det[\mathbf{H}]^{-1}k(\mathbf{H}^{-1}\mathbf{x})

Now that we know what kernel estimates are, let us use them. For instance, assume that k is the density of the \mathcal{N}(0,1) distribution. At point x, with a bandwidth h we get the following code

mean_x = function(x,bw){
  w = dnorm((myocarde$INSYS-x)/bw, mean=0,sd=1)
u = seq(5,55,length=201)
v = Vectorize(function(x) mean_x(x,3))(u)

and of course, we can change the bandwidth.

v = Vectorize(function(x) mean_x(x,2))(u)

We observe what we can read in any textbook : with a smaller bandwidth, we get more variance, less bias. “More variance” means here more variability (since the neighborhood is smaller, there are less points to compute the average, and the estimate is more volatile), and “less bias” in the sense that the expected value is supposed to be compute at point x, so the smaller the neighborhood, the better.

Using ksmooth R function

Actually, there is a function in R to compute this kernel regression.

reg = ksmooth(myocarde$INSYS,myocarde$PRONO,"normal",bandwidth = 2*exp(1))

We can replicate our previous estimate. Nevertheless, the output is not a function, but two series of vectors. That’s nice to get a graph, but that’s all we get. Furthermore, as we can see, the bandwidth is not exactly the same as the one we used before. I did not find any information online, so I tried to replicate the function we wrote before

reg = ksmooth(myocarde$INSYS,myocarde$PRONO,"normal",bandwidth = bk)
  v = Vectorize(function(x) mean_x(x,bm))(reg$x)

There is a slope of 0.37, which is actually e^{-1}. Coincidence ? I don’t know to be honest…

Application in higher dimension

Consider now our bivariate dataset, and consider some product of univariate (Gaussian) kernels

u = seq(0,1,length=101)
p = function(x,y){
  bw1 = .2; bw2 = .2
  w = dnorm((df$x1-x)/bw1, mean=0,sd=1)*
      dnorm((df$x2-y)/bw2, mean=0,sd=1)
v = outer(u,u,Vectorize(p))
contour(u,u,v,levels = .5,add=TRUE)

We get the following prediction

Here, the different colors are probabilities.

k-nearest neighbors

An alternative is to consider a neighborhood not defined using a distance to point \mathbf{x} but the k-neighbors, with the n observations we got.\tilde{m}_k(\mathbf{x})=\frac{1}{n}\sum_{i=1}^n\omega_{i,k}(\mathbf{x})y_i
where \omega_{i,k}(\mathbf{x})=n/k if i\in\mathcal{I}_{\mathbf{x}}^k with
\mathcal{I}_{\mathbf{x}}^k=\{i:\mathbf{x}_i\text{ one of the }k\text{ nearest observations to }\mathbf{x}\}
The difficult part here is that we need a valid distance. If units are very different on each component, using the Euclidean distance will be meaningless. So, quite naturally, let us consider here the Mahalanobis distance

Sigma = var(myocarde[,1:7])
Sigma_Inv = solve(Sigma)
d2_mahalanobis = function(x,y,Sinv){as.numeric(x-y)%*%Sinv%*%t(x-y)}
k_closest = function(i,k){
  vect_dist = function(j) d2_mahalanobis(myocarde[i,1:7],myocarde[j,1:7],Sigma_Inv)
vect = Vectorize(vect_dist)((1:nrow(myocarde))) 

Here we have a function to find the k closest neighbor for some observation. Then two things can be done to get a prediction. The goal is to predict a class, so we can think of using a majority rule : the prediction for y_i is the same as the one the majority of the neighbors.

k_majority = function(k){
  for(i in 1:length(Y)) Y[i] = sort(myocarde$PRONO[k_closest(i,k)])[(k+1)/2]

But we can also compute the proportion of black points among the closest neighbors. It can actually be interpreted as the probability to be black (that’s actually what was said at the beginning of this post, with kernels),

k_mean = function(k){
  for(i in 1:length(Y)) Y[i] = mean(myocarde$PRONO[k_closest(i,k)])

We can see on our dataset the observation, the prediction based on the majority rule, and the proportion of dead individuals among the 7 closest neighbors

 [1,]        1        1  0.7142857
 [2,]        0        1  0.5714286
 [3,]        0        0  0.1428571
 [4,]        1        1  0.5714286
 [5,]        0        1  0.7142857
 [6,]        0        0  0.2857143
 [7,]        1        1  0.7142857
 [8,]        1        0  0.4285714
 [9,]        1        1  0.7142857
[10,]        1        1  0.8571429
[11,]        1        1  1.0000000
[12,]        1        1  1.0000000

Here, we got a prediction for an observed point, located at \boldsymbol{x}_i, but actually, it is possible to seek the k closest neighbors of any point \boldsymbol{x}. Back on our univariate example (to get a graph), we have

mean_x = function(x,k=9){
  w = rank(abs(myocarde$INSYS-x),ties.method ="random")
v=Vectorize(function(x) mean_x(x,3))(u)

That’s not very smooth, but we do not have a lot of points either.

If we use that technique on our two-dimensional dataset, we obtain the following

Sigma_Inv = solve(var(df[,c("x1","x2")]))
u = seq(0,1,length=51)
p = function(x,y){
  k = 6
  vect_dist = function(j)  d2_mahalanobis(c(x,y),df[j,c("x1","x2")],Sigma_Inv)
  vect = Vectorize(vect_dist)(1:nrow(df)) 
  idx  = which(rank(vect)<=k)
v = outer(u,u,Vectorize(p))
image(u,u,v,xlab="Variable 1",ylab="Variable 2",col=clr10,breaks=(0:10)/10)
contour(u,u,v,levels = .5,add=TRUE)

This is the idea of local inference, using either kernel on a neighborhood of \mathbf{x} or simply using the k nearest neighbors. Next time, we will investigate penalized logistic regressions, to be continued

Classification from scratch, logistic with splines 2/8

Today, second post of our series on classification from scratch, following the brief introduction on the logistic regression.

Piecewise linear splines

To illustrate what’s going on, let us start with a “simple” regression (with only one explanatory variable). The underlying idea is natura non facit saltus, for “nature does not make jumps”, i.e. process governing equations for natural things are continuous. That seems to be a rather strong assumption, because we can assume that there is a fixed threshold to explain death. For instance, if patients die (for sure) if the “stroke index” exceeds a threshold, we might expect some discontinuity. Exceept that if that threshold is an heterogeneous (non-observable continuous) variable, then we get back to the continuity assumption.

The most simple model we can think of to extend the linear model we’ve seen in the previous post is to consider a piecewise linear function, with two parts : small values of x, and larger values of x. The most convenient way to do so is to use the positive part function (x-s)_+ which is the difference between x and s if that difference is positive, and 0 otherwise. For instance \beta_1 x+\beta_2(x-s)_+ is the following piecewise linear function, continuous, with a “rupture” at knot s.

Observe also the following interpretation: for small values of x, there is a linear increase, with slope \beta_1, and for lager values of x, there is a linear decrease, with slope \beta_1+\beta_2. Hence, \beta_2 is interpreted as a change of the slope.

And of course, it is possible to consider more than one knot. The function to get the positive value is the following

pos = function(x,s) (x-s)*(x>=s)

then we can use it direcly in our regression model

reg = glm(PRONO~INSYS+pos(INSYS,15)+

The output of the regression is here

               Estimate Std. Error z value Pr(>|z|)  
(Intercept)     -0.1109     3.2783  -0.034   0.9730  
INSYS           -0.1751     0.2526  -0.693   0.4883  
pos(INSYS, 15)   0.7900     0.3745   2.109   0.0349 *
pos(INSYS, 25)  -0.5797     0.2903  -1.997   0.0458 *

Hence, the original slope, for very small values is not significant, but then, above 15, it become significantly positive. And above 25, there is a significant change again. We can plot it to see what’s going on

u = seq(5,55,length=201)
v = predict(reg,newdata=data.frame(INSYS=u),type="response")

Using bs() linear splines

Using the GAM function, things are slightly different. We will use here so called b-splines,


We can define spline functions with support (5,55) and with knots \{15,25\}

clr6 = c("#1b9e77","#d95f02","#7570b3","#e7298a","#66a61e","#e6ab02")
x = seq(0,60,by=.25)
B = bs(x,knots=c(15,25),Boundary.knots=c(5,55),degre=1)

as we can see, the functions defined here are different from the one before, but we still have (piecewise) linear functions on each segment (5,15), (15,25) and (25,55). But linear combinations of those functions (the two sets of functions) will generate the same space. Said differently, if the interpretation of the output will be different, predictions should be the same

reg = glm(PRONO~bs(INSYS,knots=c(15,25),
              Estimate Std. Error z value Pr(>|z|)  
(Intercept)    -0.9863     2.0555  -0.480   0.6314  
bs(INSYS,..)1  -1.7507     2.5262  -0.693   0.4883  
bs(INSYS,..)2   4.3989     2.0619   2.133   0.0329 *
bs(INSYS,..)3   5.4572     5.4146   1.008   0.3135

Observe that there are three coefficients, as before, but again, the interpretation is here more complicated…


Nevertheless, the prediction is the same… and that’s nice.

Piecewise quadratic splines

Let us go one step further… Can we have also the continuity of the derivative ? Yes, and that’s easy actually, considering parabolic functions. Instead of using a decomposition on x,(x-s_1)_+ and (x-s_2)_+ consider now a decomposition on x,x^{\color{red}{2}},(x-s_1)^{\color{red}{2}}_+ and (x-s_2)^{\color{red}{2}}_+.

 pos2 = function(x,s) (x-s)^2*(x>=s)
reg = glm(PRONO~poly(INSYS,2)+pos2(INSYS,15)+pos2(INSYS,25),
                Estimate Std. Error z value Pr(>|z|)  
(Intercept)      29.9842    15.2368   1.968   0.0491 *
poly(INSYS, 2)1 408.7851   202.4194   2.019   0.0434 *
poly(INSYS, 2)2 199.1628   101.5892   1.960   0.0499 *
pos2(INSYS, 15)  -0.2281     0.1264  -1.805   0.0712 .
pos2(INSYS, 25)   0.0439     0.0805   0.545   0.5855

As expected, there are here five coefficients: the intercept and two for the part on the left (three parameters for the parabolic function), and then two additional terms for the part in the center – here (15,25) – and for the part on the right. Of course, for each portion, there is only one degree of freedom since we have a parabolic function (three coefficients) but two constraints (continuity, and continuity of the first order derivative).

On a graph, we get the following

v = predict(reg,newdata=data.frame(INSYS=u),type="response")

Using bs() quadratic splines

Of course, we can do the same with our R function. But as before, the basis of function is expressed here differently

 x = seq(0,60,by=.25)

If we run R code, we get

reg = glm(PRONO~bs(INSYS,knots=c(15,25),
               Estimate Std. Error z value Pr(>|z|)  
(Intercept)       7.186      5.261   1.366   0.1720  
bs(INSYS, ..)1  -14.656      7.923  -1.850   0.0643 .
bs(INSYS, ..)2   -5.692      4.638  -1.227   0.2198  
bs(INSYS, ..)3   -2.454      8.780  -0.279   0.7799  
bs(INSYS, ..)4    6.429     41.675   0.154   0.8774

But that’s not really a big deal since the prediction is exactly the same

v = predict(reg,newdata=data.frame(INSYS=u),type="response")

Cubic splines

Last, but not least, we can reach the cubic splines. With our previous notions, we would consider a decomposition on (guess what) x,x^2,x^{\color{red}{3}},(x-s_1)^{\color{red}{3}}_+,(x-s_2)^{\color{red}{3}}_+, to get this time continuity, as well as continuity of the first two derivatives (and to get a very smooth function, since even variations will be smooth). If we use the bs function, the basis is the followin


and the prediction will now be

reg = glm(PRONO~bs(INSYS,knots=c(15,25),
u = seq(5,55,length=201)
v = predict(reg,newdata=data.frame(INSYS=u),type="response")

Two last things before concluding (for today), the location of the knots, and the extension to additive models.

Location of knots

In many applications, we do not want to specify the location of the knots. We just want – say – three (intermediary) knots. This can be done using

reg = glm(PRONO~1+bs(INSYS,degree=1,df=4),data=myocarde,family=binomial)

We can actually get the locations of the knots by looking at

attr(reg$terms, "predvars")[[3]]
bs(INSYS, degree = 1L, knots = c(15.8, 21.4, 27.15), 
Boundary.knots = c(8.7, 54), intercept = FALSE)

which provides us with the location of the boundary knots (the minumun and the maximum from from our sample) but also the three intermediary knots. Observe that actually, those five values are just (empirical) quantiles

   0%   25%   50%   75%  100% 
 8.70 15.80 21.40 27.15 54.00

If we plot the prediction, we get

v = predict(reg,newdata=data.frame(INSYS=u),type="response")

If we get back on what was computed before the logit transformation, we clealy see ruptures are the different quantiles

B = bs(x,degree=1,df=4)
B = cbind(1,B)
y = B%*%coefficients(reg)

Note that if we do specify anything about knots (number or location), we get no knots…

reg = glm(PRONO~1+bs(INSYS,degree=2),data=myocarde,family=binomial)
attr(reg$terms, "predvars")[[3]]
bs(INSYS, degree = 2L, knots = numeric(0), 
Boundary.knots = c(8.7,54), intercept = FALSE)

and if we look at the prediction

u = seq(5,55,length=201)
v = predict(reg,newdata=data.frame(INSYS=u),type="response")

actually, it is the same as a quadratic regression (as expected actually)

reg = glm(PRONO~1+poly(INSYS,degree=2),data=myocarde,family=binomial)
v = predict(reg,newdata=data.frame(INSYS=u),type="response")

Additive models

Consider now the second dataset, with two variables. Consider here a model like
It might seem a little bit restrictive, but that’s actually the idea of additive models.

reg = glm(y~bs(x1,degree=1,df=3)+bs(x2,degree=1,df=3),data=df,family=binomial(link = "logit"))
u = seq(0,1,length=101)
p = function(x,y) predict.glm(reg,newdata=data.frame(x1=x,x2=y),type="response")
v = outer(u,u,p)
image(u,u,v,xlab="Variable 1",ylab="Variable 2",col=clr10,breaks=(0:10)/10)
contour(u,u,v,levels = .5,add=TRUE)

Now, if think about is, we’ve been able to get a “perfect” model, so, somehow, it seems no longer continuous…


Of course, it is… it is piecewise linear, with hyperplane, some being almost vertical.

And one can also consider piecewise quadratic functions

reg = glm(y~bs(x1,degree=2,df=3)+bs(x2,degree=2,df=3),data=df,family=binomial(link = "logit"))
u = seq(0,1,length=101)
p = function(x,y) predict.glm(reg,newdata=data.frame(x1=x,x2=y),type="response")
v = outer(u,u,p)
image(u,u,v,xlab="Variable 1",ylab="Variable 2",col=clr10,breaks=(0:10)/10)
contour(u,u,v,levels = .5,add=TRUE)

Funny thing, we now have two “perfect” models, with different areas for the white and the black dots… Don’t ask me how to choose on that one.

In R, it is possible to use the mgcv package to run a gam regression. It is used for generalized additive models, but here, we have only one variable, so it is difficult to see the “additive” part, actually. And to be more specific, mgcv is using penalized quasi-likelihood from the nlme package (but we’ll get back on penalized routines later on).

But maybe I should also mention another smoothing tool before, kernels (and maybe also k-nearest neighbors). To be continued

Classification from scratch, logistic regression 1/8

Let us start today our series on classification from scratch

The logistic regression is based on the assumption that given covariates \mathbf{x}, Y has a Bernoulli distribution,Y|\mathbf{X}=\mathbf{x}\sim\mathcal{B}(p_{\mathbf{x}}),~~~~p_\mathbf{x}=\frac{\exp[\mathbf{x}^T\mathbf{\beta}]}{1+\exp[\mathbf{x}^T\mathbf{\beta}]}The goal is to estimate parameter \mathbf{\beta}.

Recall that the heuristics for the use of that function for the probability is that\log[\text{odds}(Y=1)]=\log\frac{\mathbb{P}[Y=1]}{\mathbb{P}[Y=0]}=\mathbf{x}^T\mathbf{\beta}

Maximimum of the (log)-likelihood function

The log-likelihood is here\log\mathcal{L} = \sum_{i=1}^n y_i\log p_i+(1-y_i)\log (1-p_i) where p_{i}=(1+\exp[-\mathbf{x}_i^T\mathbf{\beta}])^{-1}. Numerical techniques are based on (numerical) gradient descent to compute the maximum of the likelihood function. The (negative) log-likelihood is the following function

y = myocarde$PRONO
X = cbind(1,as.matrix(myocarde[,1:7]))
negLogLik = function(beta){
 -sum(-y*log(1 + exp(-(X%*%beta))) - (1-y)*log(1 + exp(X%*%beta)))

We use the minus sign since standard optimization routines compute minima, not maxima. Now, to find the minimum of that function, we need a starting point to initiate the algorithm

beta_init = lm(PRONO~.,data=myocarde)$coefficients

Why not start with the parameter of the OLS. Somehow, we might think that at least, sign should be ok for instance. Anyway, we need a starting point, and let us use that one.

logistic_opt = optim(par = beta_init, negLogLik, hessian=TRUE, method = "BFGS", control=list(abstol=1e-9))

Here, we obtain

 (Intercept)        FRCAR        INCAR        INSYS    
 1.656926397  0.045234029 -2.119441743  0.204023835 
       PRDIA        PAPUL        PVENT        REPUL 
-0.102420095  0.165823647 -0.081047525 -0.005992238

Let us verify here that this output is valid. For instance, what if we change the value of the starting point (randomly)

simu = function(i){
logistic_opt_i = optim(par = rnorm(8,0,3)*beta_init, 
negLogLik, hessian=TRUE, method = "BFGS", 
v_beta = t(Vectorize(simu)(1:1000))

Ooops. There is a problem here. Clearly, we cannot rely on numerical optimization here. We can think about using another optimization routine

logit = function(mX, vBeta) {
  exp(mX %*% vBeta)/(1+ exp(mX %*% vBeta)) 
logLikelihoodLogitStable = function(vBeta, mX, vY) {
  -sum(vY*(mX %*% vBeta - log(1+exp(mX %*% vBeta))) + 
(1-vY)*(-log(1 + exp(mX %*% vBeta)))) 
likelihoodScore = function(vBeta, mX, vY) {
  return(t(mX) %*% (logit(mX, vBeta) - vY) )
optimLogitLBFGS = optimx(beta_init, logLikelihoodLogitStable, 
method = 'L-BFGS-B', gr = likelihoodScore, 
mX = X, vY = y, hessian=TRUE)

The optimum is here

attr(optimLogitLBFGS, "details")[[2]]
FRCAR  0.003080542
INCAR  0.079031364
INSYS -0.001586194
PRDIA  0.040500697
PAPUL -0.041870705
PVENT -0.014162756
REPUL  0.195632244

Let’s be honest here, I do not feel confortable with those techniques. So, what happened here ?

Here, the technique we use is based on the following idea,\mathbf{\beta}_{new}=\mathbf{\beta}_{old} -\left(\frac{\partial^2\log\mathcal{L}(\mathbf{\beta}_{old})}{\partial\mathbf{\beta}\partial\mathbf{\beta}^T}\right)^{-1}\cdot \frac{\partial\log\mathcal{L}(\mathbf{\beta}_{old})}{\partial\mathbf{\beta}}The problem is that my computer does not know this first and second derivatives. So it will compute them using approximation techniques.

Actually, it is possible to use functions dedicated to such computation

logit = function(x){1/(1+exp(-x))}
logLik = function(beta, X, y){
 -sum(y*log(logit(X%*%beta)) + 
optim_second = function(beta, num_iter){
  LL = vector()
  for(i in 1:num_iter){
    grad = (t(X)%*%(logit(X%*%beta) - y)) 
    H = hessian(logLik, beta, method = "complex", X = X, y = y)
    beta = beta - ginv(H)%*%grad
    LL[i] = logLik(beta, X, y)
  result = list(beta, H)

With our OLS starting point, we obtain

opt0 = optim_second(beta_init,500)
[1,]  0.951074420
[2,]  0.018860280
[3,]  0.275428978
[4,]  0.144803636
[5,] -0.058535606
[6,]  0.001182178
[7,] -0.108651776
[8,] -0.002940315

But if we try with another starting point

opt1 = optim_second(beta_init*runif(8),500)
[1,]  0.052894794
[2,]  0.024718435
[3,]  0.167953661
[4,]  0.171662947
[5,] -0.057458066
[6,] -0.011361034
[7,] -0.107532114
[8,] -0.002679064

Clearly, some coefficients are rather close. But other aren’t. From my point of viezw, that is a major problem (keep in mind that we do not deal here with massive data ! There are only 7 explanatory variables, and only 71 observations).

Why not try to be clever, and use the analytical values of those derivatives ? Even if some people claim the oppositive, sometimes, it can actually be usefull to do the maths, instead of considering only numerical values.

Newton (or Fisher) Algorithm

If you open any Econometrics textbooks (one can also try to derive it), you will get \frac{\partial\log\mathcal{L}(\mathbf{\beta}_{old})}{\partial\mathbf{\beta}}=\mathbf{X}^T(\mathbf{y}-\mathbf{p}_{old})

 for(s in 1:9){

Observe that here, I use only ten iterations of the algorithm !

                [,1]          [,2]          [,3]
XInter -10.187641685 -10.187641696 -10.187641696
XFRCAR   0.138178119   0.138178119   0.138178119
XINCAR  -5.862429035  -5.862429037  -5.862429037
XINSYS   0.717084018   0.717084018   0.717084018
XPRDIA  -0.073668171  -0.073668171  -0.073668171
XPAPUL   0.016756506   0.016756506   0.016756506
XPVENT  -0.106776012  -0.106776012  -0.106776012
XREPUL  -0.003154187  -0.003154187  -0.003154187

The thing is that is seems to converge extremely fast. And it is rather robust ! Look at what we get if we change our starting point

 for(s in 1:9){
                [,1]          [,2]          [,3]
XInter -10.187641586 -10.187641696 -10.187641696
XFRCAR   0.138178118   0.138178119   0.138178119
XINCAR  -5.862429017  -5.862429037  -5.862429037
XINSYS   0.717084013   0.717084018   0.717084018
XPRDIA  -0.073668172  -0.073668171  -0.073668171
XPAPUL   0.016756508   0.016756506   0.016756506
XPVENT  -0.106776012  -0.106776012  -0.106776012
XREPUL  -0.003154187  -0.003154187  -0.003154187

Nice, isn’t it? Looks like we got our winner, don’t we? And one can use the inverse of the Hessian matrix to get standard deviations.

Weighted Least-Squares

Let us go one step further. We’ve seen that we want to compute something like\mathbf{\beta}_{new} =(\mathbf{X}^T\mathbf{\Delta}_{old}\mathbf{X})^{-1}\mathbf{X}^T\mathbf{\Delta}_{old}\mathbf{z}(if we do substitute matrices in the analytical expressions) where \mathbf{z}=\mathbf{X}\mathbf{\beta}_{old}+\mathbf{\Delta}_{old}^{-1}[\mathbf{y}-\mathbf{p}_{old}]. But actually, that’s simply a standard least-square problem\mathbf{\beta}_{new} = \text{argmin}\left\lbrace(\mathbf{z}-\mathbf{X}\mathbf{\beta})^T\mathbf{\Delta}_{old}^{-1}(\mathbf{z}-\mathbf{X}\mathbf{\beta})\right\rbraceThe only problem here is that weights \mathbf{\Delta}_{old} are functions of unknown \mathbf{\beta}_{old}. But actually, if we keep iterating, we should be able to solve it : given the \mathbf{\beta} we got the weights, and with the weights, we can use weighted OLS to get an updated \mathbf{\beta}. That’s the idea of iteratively reweighted least squares.

The algorithm will be

df = myocarde
beta_init = lm(PRONO~.,data=df)$coefficients
X = cbind(1,as.matrix(myocarde[,1:7]))
beta = beta_init
for(s in 1:1000){
p = exp(X %*% beta) / (1+exp(X %*% beta))
omega = diag(nrow(df))
diag(omega) = (p*(1-p))
df$Z = X %*% beta + solve(omega) %*% (df$PRONO - p)
beta = lm(Z~.,data=df[,-8], weights=diag(omega))$coefficients

and the output is here

  (Intercept)         FRCAR         INCAR         INSYS         PRDIA 
-10.187641696   0.138178119  -5.862429037   0.717084018  -0.073668171 
        PAPUL         PVENT         REPUL 
  0.016756506  -0.106776012  -0.003154187

which is almost what we’ve obtained before. Nice isn’t it ? Actually, here we also have standard deviations of estimators

summary( lm(Z~.,data=df[,-8], weights=diag(omega)))
              Estimate Std. Error t value Pr(>|t|)
(Intercept) -10.187642  10.668138  -0.955    0.343
FRCAR         0.138178   0.102340   1.350    0.182
INCAR        -5.862429   6.052560  -0.969    0.336
INSYS         0.717084   0.503527   1.424    0.159
PRDIA        -0.073668   0.261549  -0.282    0.779
PAPUL         0.016757   0.306666   0.055    0.957
PVENT        -0.106776   0.099145  -1.077    0.286
REPUL        -0.003154   0.004386  -0.719    0.475

The standard glm function

Of course, it is possible to use an R built-in function to get our estimate

summary(glm(PRONO~.,data=myocarde,family=binomial(link = "logit")))
              Estimate Std. Error z value Pr(>|z|)
(Intercept) -10.187642  11.895227  -0.856    0.392
FRCAR         0.138178   0.114112   1.211    0.226
INCAR        -5.862429   6.748785  -0.869    0.385
INSYS         0.717084   0.561445   1.277    0.202
PRDIA        -0.073668   0.291636  -0.253    0.801
PAPUL         0.016757   0.341942   0.049    0.961
PVENT        -0.106776   0.110550  -0.966    0.334
REPUL        -0.003154   0.004891  -0.645    0.519

Application and visualisation

Let us visualize the prediction obtained from the logistic regression, on our second dataset

x = c(.4,.55,.65,.9,.1,.35,.5,.15,.2,.85)
y = c(.85,.95,.8,.87,.5,.55,.5,.2,.1,.3)
z = c(1,1,1,1,1,0,0,1,0,0)
df = data.frame(x1=x,x2=y,y=as.factor(z))
reg = glm(y~x1+x2,data=df,family=binomial(link = "logit"))
u = seq(0,1,length=101)
p = function(x,y) predict.glm(reg,newdata=data.frame(x1=x,x2=y),type="response")
v = outer(u,u,p)
image(u,u,v,xlab="Variable 1",ylab="Variable 2",col=clr10,breaks=(0:10)/10)
contour(u,u,v,levels = .5,add=TRUE)

Here level curves – or iso-probabilities – are linear, so the space is divided in two (0 and 1, survival and death, white and black) by a straight line (or an hyperplane in higher dimension). Furthermore, since we have a linear model, if we change the cutoff (the threshold used to create the two classes), we obtain another straight line (or hyperplane) parallel to the first one.

Next time, we will introduce splines to smooth those continuous covariates… to be continued.

Classification from scratch, overview 0/8

Before my course on « big data and economics » at the university of Barcelona in July, I wanted to upload a series of posts on classification techniques, to get an insight on machine learning tools.

According to some common idea, machine learning algorithms are black boxes. I wanted to get back on that saying. First of all, isn’t it the case also for regression models, like generalized additive models (with splines) ? Do you really know what the algorithm is doing ? Even the logistic regression. In textbooks, we can easily find math formulas. But what is really done when I run it, in R ?

When I started working on academia, someone told me something like « if you really want to understand a theory, teach it ». And that has been my moto for more than 15 years. I wanted to add a second part to that statement: « if you really want to understand an algorithm, recode it ». So let’s try this… My ambition is to recode (more or less) most of the standard algorithms used in predictive modeling, from scratch, in R. What I plan to mention, within the next two weeks, will be

I will use two datasets to illustrate. The first one is inspired by the cover of « Foundations of Machine Learning » by Mehryar Mohri, Afshin Rostamizadeh and Ameet Talwalkar. At least, with this dataset, it will be possible to plot predictions (since there are only two – continuous – features)

x = c(.4,.55,.65,.9,.1,.35,.5,.15,.2,.85)
y = c(.85,.95,.8,.87,.5,.55,.5,.2,.1,.3)
z = c(1,1,1,1,1,0,0,1,0,0)
df = data.frame(x1=x,x2=y,y=as.factor(z))

Here is some code to get a visualization of the prediction (here the probability to be a black point)

rmatrix_model = function(model){
u = seq(0,1,length=101)
p = function(x,y) predict(model,newdata=data.frame(x1=x,x2=y),type="response")
v = outer(u,u,p)
u = seq(0,1,length=101)
image(u,u,v,xlab="Variable 1",ylab="Variable 2",col=clr10[c(1,10)],breaks=c(0,5,10)/10)
contour(u,u,v,levels = .5,add=TRUE)
reg = glm(y~x1+x2,data=df,family=binomial)

Note that colors are defined here as

clr10= c("#ffffff","#f7fcfd","#e5f5f9","#ccece6","#99d8c9","#66c2a4","#41ae76","#238b45","#006d2c","#00441b")

or with some nonlinear model

The second one is a dataset I got from Gilbert Saporta, about heart attacks and decease (our binary variable).

myocarde = read.table("http://freakonometrics.free.fr/myocarde.csv",head=TRUE, sep=";")
myocarde$PRONO = (myocarde$PRONO=="SURVIE")*1
y = myocarde$PRONO
X = as.matrix(cbind(1,myocarde[,1:7]))

So far, I do not plan to talk (too much) on the choice of tunning parameters (and cross-validation), on comparing models, etc. The goal here is simply to understand what’s going on when we call either glm, glmnet, gam, random forest, svm, xgboost, or any function to get a predict model.

On the interpretation of a regression model

Yesterday, NaytaData (aka @NaytaData ) posted a nice graph on reddit, with bicycle traffic and mean air temperature, in Helsinki, Finland, per day,

I found that graph interesting, so I did ask for the data (NaytaData kindly sent them to me tonight).

ggplot(df, aes(meanTemp, cyclists)) +
  geom_point() +
  geom_smooth(span = 0.3)

But as mentioned by someone on twitter, the interpretation is somehow trivial : people get out on their bike when the weather is nice. The hotter, the more cyclists on the road. Which is interpreted here in a causal way…

But actually, we can also visualize the data as follows, as suggested by Antoine Chambert-Loir

 ggplot(df, aes(cyclists, meanTemp)) +
  geom_point() +
  geom_smooth(span = 0.3)

The interpretation would be, somehow, that the more cyclists on the road, the hotter it is. Why not consider this causal interpretation here ? Like cyclists go so fast, or sweat so much, that they increase temperature…

Of course, it is the standard (recurrent) discussion “correlation is not causality”, but in regression models, we like to tell a story, to pretend that we have some sort of a causal story. But we do not prove it. Here, we know that the first one is more credible than the second one, but how do we know that ? To go further, how can we use machine learning techniques to prove causal relationships ? How could a machine choose between the first and the second story ?



Some sort of Otto Neurath (isotype picture) map

Yesterday evening, I was walking in Budapest, and I saw some nice map that was some sort of Otto Neurath style. It was hand-made but I thought it should be possible to do it in R, automatically.

A few years ago, Baptiste Coulmont published a nice blog post on the package osmar, that can be used to import OpenStreetMap objects (polygons, lines, etc) in R. We can start from there. More precisely, consider the city of Douai, in France,

The code to read information from OpenStreetMap is the following

src <- osmsource_api()
bb <- center_bbox(3.07758808135,50.37404355, 1000, 1000)
ua <- get_osm(bb, source = src)

We can extract a lot of things, like buildings, parks, churches, roads, etc. There are two kinds of objects so we will use two functions

listek = function(vc,type="polygons"){
nat_ids <- find(ua, way(tags(k %in% vc)))
nat_ids <- find_down(ua, way(nat_ids))
nat <- subset(ua, ids = nat_ids)
nat_poly <- as_sp(nat, type)}
listev = function(vc,type="polygons"){
  nat_ids <- find(ua, way(tags(v %in% vc)))
  nat_ids <- find_down(ua, way(nat_ids))
  nat <- subset(ua, ids = nat_ids)
  nat_poly <- as_sp(nat, type)}

For instance to get rivers, use


and to get buildings


We can also get churches


but also train stations, airports, universities, hospitals, etc. It is also possible to get streets, or roads


but it will be more difficult to use afterwards, so let’s forget about those.

We can check that we have everything we need

if(!is.null(B)) plot(B,add=TRUE,col="red")
if(!is.null(C)) plot(C,add=TRUE,col="purple")
if(!is.null(T)) plot(T,add=TRUE,col="red")

Now, let us consider a rectangular grid. If there is a river in a cell, I want a river. If there is a church, I want a church, etc. Since there will be one (and only one) picture per cell, there will be priorities. But first we have to check intersections with polygons, between our grid, and the OpenStreetMap polygons.

identification = function(xy,h,PLG){
  Pb1 = list(Polygons(list(pb1), ID=1))
  SPb1 = SpatialPolygons(Pb1, proj4string = CRS("+proj=longlat +ellps=WGS84 +datum=WGS84 +no_defs +towgs84=0,0,0"))

and then, we identify, as follows

whichidtf = function(xy,h){
if(!is.null(identification(xy,h,M))) label="HOUSE"
if(!is.null(identification(xy,h,P))) label="PARK"
if(!is.null(identification(xy,h,W))) label="WATER"
if(!is.null(identification(xy,h,U))) label="UNIVERSITY"
if(!is.null(identification(xy,h,C))) label="CHURCH"

Let is use colored rectangle to make sure it works

 for(i in 1:(nx-1)){
     for(j in 1:(ny-1)){
         if(lb=="HOUSE") rect(vx[i]-h,vy[j]-h,vx[i]+h,vy[j]+h,col="grey")
         if(lb=="PARK") rect(vx[i]-h,vy[j]-h,vx[i]+h,vy[j]+h,col="green")
         if(lb=="WATER") rect(vx[i]-h,vy[j]-h,vx[i]+h,vy[j]+h,col="blue")
         if(lb=="CHURCH") rect(vx[i]-h,vy[j]-h,vx[i]+h,vy[j]+h,col="purple")      

As a first start, we us agree that it works. To use pics, I did borrow them from https://fontawesome.com/. For instance, we can have a tree

 tree <- readPNG("tree.png")

Unfortunatly, the color is not good (it is black), but that’s easy to fix using the RGB decomposition of that package


We can do the same for houses, churches and water actually

water <- readPNG("angle-double-up.png")
 home <- readPNG("home.png")
 church <- readPNG("church.png")

and that’s almost it. We can then add it on the map

 for(i in 1:(nx-1)){
   for(j in 1:(ny-1)){
     if(lb=="HOUSE")  rasterImage(rev_home,vx[i]-h*.8,vy[j]-h*.8,vx[i]+h*.8,vy[j]+h*.8)
     if(lb=="PARK") rasterImage(rev_tree,vx[i]-h*.9,vy[j]-h*.8,vx[i]+h*.9,vy[j]+h*.8)
     if(lb=="WATER") rasterImage(rev_water,vx[i]-h*.8,vy[j]-h*.8,vx[i]+h*.8,vy[j]+h*.8)
     if(lb=="CHURCH") rasterImage(rev_church,vx[i]-h*.8,vy[j]-h*.8,vx[i]+h*.8,vy[j]+h*.8)     

Nice, isn’t it? (as least as a first draft, done during the lunch break of the R conference in Budapest, today).


Graduate Course on Advanced Tools for Econometrics (2)

This Tuesday, I will be giving the second part of the (crash) graduate course on advanced tools for econometrics. It will take place in Rennes, IMAPP room, and I have been told that there will be a visio with Nantes and Angers. Slides for the morning are online, as well as slides for the afternoon.

In the morning, we will talk about variable section and penalization, and in the afternoon, it will be on changing the loss function (quantile regression).

When “learning Python” becomes “practicing R” (spoiler)

15 years ago, a student of mine told me that I should start learning Python, that it was really a great language. Students started to learn it, but I kept postponing. A few years ago, I started also Python for Kids, which is really nice actually, with my son. That was nice, but not really challenging. A few weeks ago, I also started a crash course in Python, taught by Pierre. The truth is I think I will probably give up. I keep telling myself (1) I can do anything much faster in R (2) Python is not intuitive, especially when you’re used to practice R for almost 20 years… Last week, I also had to link Python and R for our pricing game : Ali wrote some template codes in Python, and I had to translate them in R. And it was difficult…

Anyway, since it was a school break this week, I said to my son that we should try to practice together, with a nice challenge. For those willing to try it, you’d better stop here, because I will spoil it.

Continue reading When “learning Python” becomes “practicing R” (spoiler)

Démographie historique à l’aide de données généalogiques participatives

Voilà plusieurs mois qu’avec Ewen Gallic on travaille sur des données généalogiques. Le premier papier, Étude de la démographie française du XIXe siècle à partir de données collaboratives de généalogie est fini. Il s’agit d’une note métodologique, décrisant comment on a reconstitué les arbres de ces 2,45 millions de personnes (701 millions d’enregistrements dans lesquels il a fallu faire du ménage), correspondant aux descendants sur 3 générations de personnes nées en France, entre 1800 et 1804.

Pour illustrer l’apport de ces données riches, on a commencé par étudier la mortaiité au cours du XIXème siècle

et noté que, certes, on sous-estime la mortalité des moins de 20 ans, et des personnes très âgées, mais globalement, nos donnéees sont conformes à ce que nous attendions (peut être moins sur la natalité). On a également commencé à étudier la migration, de génération en génération

(ici la proportion de descendants nés dans le même département que leur aieux). Plein d’autres résultats, à lire dans le papier, en ligne sur hal et beaucoup d’autres résultats sur la page github créée par Ewen.

Unicode, UTF-8… la base de l’encodage

Un petit billet rapide, sans aucune prétention. Juste pour revenir sur des trucs bizarres sur l’encodage… J’avais commencé à m’y intéresser il y a 3 ans, alors que je discutais avec des utilisateurs de R en Inde et au Japon. Mais revenons à la base… Si on regarde la page “unicode” de Wikipedia (ou plus précisément, si on regarde le code source, on peut avoir des informations (dans les métadonnées) : en l’occurrence, on voit que la page est encodée en UTF-8

C’est cohérent car de plus en plus de documents en ligne semblent encodé dans ce format. Si on revient à la source, l’encodage c’est lié au passage par les bytes 0/1. Plein de sites expliquent (en gros) la philosophie. Quand j’étais petit, on nous expliquait les caractères ASCII, qui utilisent 7 bits ce qui permet de disposer  128 caractères uniquement, numérotés de 0 à 127.  Genre “A” était le 65ème caractère, et “a” le 97ème. Il y avait des symboles exotiques (comme “@” qui est le 64ème) ou la ponctuation, mais pas d’accents, comme “à”. Si on veut les lettres avec des accents, il faut plus que 128 caractères. Est-alors arrivée ISO/CEI 8859, qui proposait d’encoder les caractères sur 8 bits (et pas 7). On parle aussi de ISO 8859-1 plus populaire sous le nom “latin-1” très populaires dans les pays latins, avec le “à“, et puis on a continué d’enrichir pour arriver au ISO 8859-15 (latin-9) avec dedans le symbole “€”. Pour les langues asiatiques, il a fallu enrichir encore. Bref, c’est un jeu sans fin. Dans les années 90, est arrivée la norme ISO 10646 correspondant au “jeu universel de caractères” ou UCS pour Universal Character Set (en anglais), qui donnera Unicode. Je crois que les puristes font la différence entre les jeux de caractères (l’ensemble de caractères auxquels on attribue à chacun un point de code unique, la liste des caractères ASCII par exemple) et l’encodage (qui est la façon de représenter ce point de code en mémoire). Mais on va faire simple…

Là où ça se complique c’est que les OS utilisaient (par défaut) des encodages différents. Sous Windows, UTF-16 et Unicode sont majoritairement utilisé. Sous Mac OS,il y avait un truc appelé MacRoman mais il semble que UTF-8 l’emporte aujourd’hui. Enfin, sous linux, historiquement c’était du latin-1 par défaut, mais progressivement l’UTF-8 semble prendre le dessus. Bref, tous ceux qui naviguent entre les OS le savent : les accents c’est l’enfer. Et le principal soucis c’est qu’il est impossible, quand on récupère un fichier d’avoir son encodage a priori. Regardons le fichier suivant BaseANSI.txt

On peut tenter de regarder s’il y a des sortes de méta-données dans le document…

mais ce n’est pas le cas. Le document est un document brut, avec juste les données, et aucune métadonnées. Rien sur l’encodage (en particulier, car c’est ce qui nous intéresse aujourd’hui). Pour l’anecdote, si au lieu d’ouvrir le fichier avec mon bloc-note sous Windows, on tente sur un mac, on a

Et quand je passe par le terminal DOS sous Windows, c’est la même chose (ce qui est un peu rassurant)

Regardons un autre fichier BaseUNICODE.txt. Si vous voyez une différence avec l’autre, dites le moi…

Pourtant il y en a une : la preuve, dans un terminal, on peut lire les accents du fichier,

Un dernier ? Regardons BaseUTF8.txt,Là encore, on a l’impression d’avoir le même fichier. Et pourtant non.

Commençons par récupérer les trois fichiers (via R)


Techniquement, ces documents sont différents, même si dans le bloc note, on ne voyait rien : il n’ont pas la même taille !

[1] 322
[1] 163
[1] 171

On peut essayer de les lire, pour voir…

                       Département No Habitants
1                              Ain 01    631877
2                          Ardèche 07    324209
3                 Bouches-du-Rhône 13   2016622
4                     Corse-du-Sud 2A    152730
5 Côte-dOr;21;533147\nCôtes-dArmor 22    598357

On a un petit soucis avec l’apostrophe, mais rien de grave

       Département No Habitants
1              Ain 01    631877
2          Ardèche 07    324209
3 Bouches-du-Rhône 13   2016622
4     Corse-du-Sud 2A    152730
5        Côte-d'Or 21    533147
6    Côtes-d'Armor 22    598357

R arrive parfaitement a lire (sur mon ordinateur du moins) cette première base de données. Tentons une seconde

    ï..DÃ.partement No Habitants
1               Ain 01    631877
2          Ardèche 07    324209
3 Bouches-du-Rhône 13   2016622
4      Corse-du-Sud 2A    152730
5        Côte-d'Or 21    533147
6    Côtes-d'Armor 22    598357

On a manifestement un soucis, un soucis d’encodage. Le soucis c’est que, d’ordinaire, on ne sait pas comment le fichier a été encodé. Et comme on l’a vu, il n’y a pas de métadonnées qui nous donne l’encodage. Comment faire ? Heureusement, il existe une fonction sous R qui devine l’encodage. Littéralement.

guess_encoding("BaseUTF8.txt", n_max = 1000)
# A tibble: 3 x 2
  encoding   confidence
1 UTF-8           1.00 
2 ISO-8859-1      0.620
3 ISO-8859-2      0.430

Autrement dit, le best-guess est ici un encodage UTF-8. Essayons pour voir,

  X.U.FEFF.Département No Habitants
1                  Ain 01    631877
2              Ardèche 07    324209
3     Bouches-du-Rhône 13   2016622
4         Corse-du-Sud 2A    152730
5            Côte-d'Or 21    533147
6        Côtes-d'Armor 22    598357

Ça marche ! ou disons que ça marche presque. J’ai un soucis dans mes libellés de variables. Mais disons que c’est anecdotique ici.

Tentons le dernier fichier

1  NA
2  NA
3  NA
4  NA
5  NA
6  NA
7  NA
8  NA

Comme ça ne marche pas, essayons d’avoir un best-guess sur l’encodage

guess_encoding("BaseUNICODE.txt", n_max = 1000)
# A tibble: 3 x 2
  encoding   confidence
1 UTF-16LE        1.00 
2 ISO-8859-1      0.530
3 ISO-8859-2      0.270

On en tient un !

1  \n
2   B
3  \n
4   C
5  \n
6   C
7  \n
8   C

Damned, ça ne marche pas… Heureusement, Ewen est venu à ma rescousse. La solution est relativement étrange

read.table("BaseUNICODE.txt",header=TRUE,fileEncoding="UTF-16LE", sep=";", quote="")
       Département No Habitants
1              Ain 01    631877
2          Ardèche 07    324209
3 Bouches-du-Rhône 13   2016622
4     Corse-du-Sud 2A    152730
5        Côte-d'Or 21    533147
6    Côtes-d'Armor 22    598357

Oui, on n’utilise pas l’encodage via “encoding” mais “fileEncoding” ! Subtil non… Cela dit, si on voulait être cohérent on devrait utiliser la fonction du package pour lire la base, non ? Car dans le package “readr” il y a une fonction “read_table”

read_table("BaseUNICODE.txt",locale=locale(encoding = "UTF-16LE"))
Error in guess_types_(datasource, tokenizer, locale, n = guess_max) : 
  Incomplete multibyte sequence

Sauf que quand on la lance, on a un message d’erreur… Bref, l’encodage c’est compliqué. C’est ce qui est expliqué dans le forum de discussion du package cela dit. Je ne suis pas sûr que mon billet serve à quoi que ce soit, mais je voulais garder une trace de tout ça !

Modéliser la consommation électrique

A partir de nos prévisions pour la température, on peut tenter de prévoir la consommation électrique. Rappelons que la série de consommation électrique ressemble à ca


On peut tenter un modèle assez simple, où la consommation à la date Y_t est fonction d’une tendance linéaire a+bt, de la position dans l’année (sous une forme non-paramétrique), de la température T_t (sous une forme non-linéaire, disons un polynôme de degré 3), de la températeure en t-1, T_{t-1} et de l’indice de production industriel IPI_t (sous une forme linéaire pour faire simple).

model1 = lm(Load~1+Time+as.factor(NumWeek)+

L’idée de la fonction polynomial pour l’impact de la température venait du graphique suivant (où on représente la série de la consommation, une fois enlevée la tendance linéaire)

On peut aussi supposer une forme autorégressive, où Y_{t} sera fonction de Y_{t-1}

model2 = lm(Load~1+Load1+Time+as.factor(NumWeek)+

On peut alors tenter de faire de la prévision. Le soucis avec ce second modèle, c’est la composante autorégressive. Pour prévoir Y_{t+h}, il faut utiliser la prévision faite en t+h-1, \hat Y_{t+h-1}.

Load_prev = NA,  Load1=c(electricite[length(passe),"Load"],rep(NA,110),
Time = electricite[futur,"Time"],
NumWeek = electricite[futur,"NumWeek"],
Temp = MODELES[,"y4"], 
Temp1 = c(electricite[length(passe),"Temp"],
IPI = electricite[futur,"IPI"])
for(t in 1:110){
 p = predict(model2,newdata=base_prevision)[t]
 base_prevision[t,"Load_prev"] = p
 base_prevision[t+1,"Load1"] = p}

On peut alors comparer la prévision \hat Y_{t} avec l’observation Y_{t}.


On est bon les mois d’été (on capture bien le pic de la première quinzaine du mois d’août) par contre, on sous-estime fortement la consommation l’hiver. Et c’est gênant…

Pour finir, on peut oublier le passage par les variables explicatives, et tenter directement un modèle de série temporelles.


Le soucis, c’est le côté hétéroscédastique de la série, avec une pente sur le minimum plus faible que sur le maximum.


Une solution classique (et simple) est de passe au logarithme

z = log(y)
B = data.frame(z=z,t=1:length(z))

Il faut ensuite enlever la tendance linéaire, pour stationnariser la série

z = residuals(lm(z~t,data=B))
Z = ts(z,start=1996,frequency=52)
modelz1 = arima(Z,order = c(0,0,0), 
seasonal = list(order = c(1,0,0)))
modelz1 = arima(Z,order = c(4,0,0), 
seasonal = list(order = c(1,0,1)))

Ce premier modèle est stationnaire, sans racine unité. On peut tenter d’introduire une racine unité saisonnière

modelz2 = arima(Z,order = c(0,0,0), 
seasonal = list(order = c(0,1,0)))
modelz2 = arima(Z,order = c(1,0,3), 
seasonal = list(order = c(1,1,0)))

Enfin, le dernier sera un peu plus simple

modelz3 = arima(Z,order = c(1,0,0), 
seasonal = list(order = c(2,0,0)))

On stocke alors toutes les prévisions dans une base

DONNEES_u = data.frame(
  u1 = predict(modelz1,n.ahead = 111)$pred,
  u2 = predict(modelz2,n.ahead = 111)$pred,
  u3 = predict(modelz3,n.ahead = 111)$pred)

On rajoute alors la tendance linéaire à la prévision du résidu

reg = lm(z~t,data=B)
dfutur = data.frame(t=futur)
DONNEES_z = data.frame(
  z1 = DONNEES_u$u1+predict(reg,newdata=dfutur),
  z2 = DONNEES_u$u2+predict(reg,newdata=dfutur),
  z3 = DONNEES_u$u3+predict(reg,newdata=dfutur)

On a besoin de la variance pour la prévision. En effet, classiquement, la prévision sera l’espérance de notre grandeur d’intérêt. Ici, on a fait un modèle linéaire sur \log Y, i.e. \log Y \sim\mathcal{N}(\mu,\sigma^2) et donc \mathbb{E}[Y]=\exp\left(\mu+\sigma^2/2\right)

DONNEES_seu = data.frame(
  seu1=sqrt(predict(modelz1,n.ahead = 111)$se^2+sigma^2),
  seu2=sqrt(predict(modelz2,n.ahead = 111)$se^2+sigma^2),
  seu3=sqrt(predict(modelz3,n.ahead = 111)$se^2+sigma^2))

On fait ici l’hypothèse que les estimateurs des prévisions des deux modèles (la tendance linéaire et celle du modèle autorégressif) sont indépendants et donc on peut sommer les termes de variance. Aussi, les prévisions pour Y sont

DONNEES_y = data.frame(
  y1 = exp(DONNEES_z$z1+1/2*DONNEES_seu$seu1^2),
  y2 = exp(DONNEES_z$z2+1/2*DONNEES_seu$seu2^2),
  y3 = exp(DONNEES_z$z3+1/2*DONNEES_seu$seu3^2))

On peut représenter les prévisions des trois modèles (avec les observations)


On peut comparer avec la prévision précédente,


On y perd un peu l’été, par contre, on s’est un peu amélioré l’hiver.