Classification from scratch, bagging and forests 10/8

Tenth post of our series on classification from scratch. Today, we’ll see the heuristics of the algorithm inside bagging techniques.

Often, bagging is associated with trees, to generate forests. But actually, it is possible using bagging for any kind of model. Recall that bagging means “boostrap aggregation”. So, consider a model $m:\mathcal{X}\rightarrow \mathcal{Y}$. Let $\widehat{m}_{S}$ denote the estimator of $m$ obtained from sample $S=\{y_i,\mathbf{x}_i\}$ with $i=\{1,\cdots,n\}$.

Consider now some boostrap sample, $S_b=\{y_i,\mathbf{x}_i\}$ with $i$ is randomly drawn from $\{1,\cdots,n\}$ (with replacement). Based on that sample, estimate $\widehat{m}_{S_b}$. Then draw many samples, and consider the agregation of the estimators obtained, using either a majority rule, or using the average of probabilities (if a probabilist model was considered). Hence$$\widehat{m}^{bag}(\mathbf{x})=\frac{1}{B}\sum_{b=1}^B \widehat{m}_{S_b}(\mathbf{x})$$

Bagging logistic regression #1

Consider the case of the logistic regression. To generate a bootstrap sample, it is natural to use the technique describe above. I.e. draw pairs $(y_i,\mathbf{x}_i)$ randomly, uniformly (with probability $1/n$) with replacement. Consider here the small dataset, just to visualize. For the b part of bagging, use the following code

L_logit = list() n = nrow(df) for(s in 1:1000){ df_s = df[sample(1:n,size=n,replace=TRUE),] L_logit[[s]] = glm(y~., df_s, family=binomial)}

Then we should aggregate over the 1000 models, to get the agg part of bagging,

p = function(x){ nd=data.frame(x1=x[1], x2=x[2]) unlist(lapply(1:1000,function(z) predict(L_logit[[z]],newdata=nd,type="response")))}

We now have a prediction for any new observation

vu = seq(0,1,length=101) vv = outer(vu,vu,Vectorize(function(x,y) mean(p(c(x,y))))) image(vu,vu,vv,xlab="Variable 1",ylab="Variable 2",col=clr10,breaks=(0:10)/10) points(df$x1,df$x2,pch=19,cex=1.5,col="white") points(df$x1,df$x2,pch=c(1,19)[1+(df$y=="1")],cex=1.5) contour(vu,vu,vv,levels = .5,add=TRUE) Bagging logistic regression #2 Another technique that can be used to generate a bootstrap sample is to keep all $\mathbf{x}_i$‘s, but for each of them, to draw (randomly) a value for $y$, with$$Y_{i,b}\sim\mathcal{B}(\widehat{m}_{S}(\mathbf{x}_i))$$since$$\widehat{m}(\mathbf{x})=\mathbb{P}[Y=1|\mathbf{X}=\mathbf{x}].$$Thus, the code for the b part of bagging algorithm is now L_logit = list() n = nrow(df) reg = glm(y~x1+x2, df, family=binomial) for(s in 1:100){ df_s = df df_s$y = factor(rbinom(n,size=1,prob=predict(reg,type="response")),labels=0:1) L_logit[[s]] = glm(y~., df_s, family=binomial) }

The agg part of bagging algorithm remains unchanged. Here we obtain

vu = seq(0,1,length=101) vv = outer(vu,vu,Vectorize(function(x,y) mean(p(c(x,y))))) image(vu,vu,vv,xlab="Variable 1",ylab="Variable 2",col=clr10,breaks=(0:10)/10) points(df$x1,df$x2,pch=19,cex=1.5,col="white") points(df$x1,df$x2,pch=c(1,19)[1+(df$y=="1")],cex=1.5) contour(vu,vu,vv,levels = .5,add=TRUE) Of course, we can use that code we check the prediction obtain on the observations we have in our sample. Just to change, consider here the myocarde data. The entiere code is here L_logit = list() reg = glm(as.factor(PRONO)~., myocarde, family=binomial) for(s in 1:1000){ myocarde_s = myocarde myocarde_s$PRONO = 1*rbinom(n,size=1,prob=predict(reg,type="response")) L_logit[[s]] = glm(as.factor(PRONO)~., myocarde_s, family=binomial) } p = function(x){ nd=data.frame(FRCAR=x[1], INCAR=x[2], INSYS=x[3], PRDIA=x[4], PAPUL=x[4], PVENT=x[5], REPUL=x[6]) unlist(lapply(1:1000,function(z) predict(L_logit[[z]],newdata=nd,type="response")))}

For the first observation, with our 1000 simulated datasets, and our 1000 models, we obtained the following estimation for the probability to die.

Fronm bags to forest

Here, we grew a lot of trees, but it is not stricto sensus a random forest algorithm, as introduced in 1995, in Random decision forests. Actually, the difference is in the creation of decision trees. To understand what happens, get back to the previous post on classification trees. As we’ve seen, when we have a node, we look at possible splits : we consider all possible variable, and all possible threshold. The startegy here will be to draw randomly $k$ variables out of $p$ (with of course $k, for instance $k=\sqrt{p}$). That's interesting in high dimension, because at each split, we should look for all variables, all cutoffs, and that can take quite some time (especially with the bootstrap procedure, where the goal will be to grow 1000 trees).

To be continued…

Choosing a Classifier

In order to illustrate the problem of chosing a classification model consider some simulated data,

> n = 500
> set.seed(1)
> X = rnorm(n)
> ma = 10-(X+1.5)^2*2
> mb = -10+(X-1.5)^2*2
> M = cbind(ma,mb)
> set.seed(1)
> Z = sample(1:2,size=n,replace=TRUE)
> Y = ma*(Z==1)+mb*(Z==2)+rnorm(n)*5
> df = data.frame(Z=as.factor(Z),X,Y)

A first strategy is to split the dataset in two parts, a training dataset, and a testing dataset.

> df1 = training = df[1:300,]
> df2 = testing  = df[301:500,]
• The Holdout Method: Training and Testing Datasets

The two datasets can be visualised below, with the training dataset on top, and the testing dataset below

> plot(df1$X,df1$Y,pch=19,col=c(rgb(1,0,0,.4),
+ rgb(0,0,1,.4))[df1$Z]) ‘Variable Importance Plot’ and Variable Selection Classification trees are nice. They provide an interesting alternative to a logistic regression. I started to include them in my courses maybe 7 or 8 years ago. The question is nice (how to get an optimal partition), the algorithmic procedure is nice (the trick of splitting according to one variable, and only one, at each node, and then to move forward, never backward), and the visual output is just perfect (with that tree structure). But the prediction can be rather poor. The performance of that algorithme can hardly compete with a (well specified) logistic regression. Then I discovered forests (see Leo Breiman’s page for a detailed presentation). Being a huge fan of boostrap procedures I loved the idea. In regression models, I usually mention boostrap to avoid asymptotic approximations: we boostrap the rows (the observations). In the case of random forest, I have to admit that the idea of selecting randomly a set of possible variables at each node is very clever. The performance is much better, but interpretation is usually more difficult. And something that I love when there are a lot of covariance, the variable importance plot. Which is something that we can hardly get with econometric models (please let me know if I’m wrong). In order to illustrate, let us generate a large dataset. Not necessarily huge, but large, so that we really have to select variables. Since it is more interesting if we have possibly correlated variables, we need a covariance matrix. There is a nice package in R to randomly generate covariance matrices. > set.seed(1) > n=500 > library(clusterGeneration) > library(mnormt) > S=genPositiveDefMat("eigen",dim=15) > S=genPositiveDefMat("unifcorrmat",dim=15) > X=rmnorm(n,varcov=S$Sigma)
> library(corrplot)
> corrplot(cor(X), order = "hclust")

See Gosh & Hendersen (2003) for more details on the methodology.

Regression Models, It’s Not Only About Interpretation

Yesterday, I did upload a post where I tried to show that “standard” regression models where not performing bad. At least if you include splines (multivariate splines) to take into accound joint effects, and nonlinearities. So far, I do not discuss the possible high number of features (but with boostrap procedures, it is possible to assess something related to variable importance, that people from machine learning like).

But my post was not complete: I was simply plotting the prediction obtained by some model. And it “looked like” the regression was nice, but so were the random forrest, the $k$-nearest neighbour and boosting algorithm. What if we compare those models on new data?