---
title: "eXtreme Gradient Boosting (XGBoost): Better than random forest or gradient boosting"
author: "Yang Liu"
date: "2018-07-09"
description: "A hands-on R comparison of XGBoost, gradient boosting, random forest, lasso, and best subset regression on a slum-settlement modeling example."
categories:
- "Machine Learning"
tags:
- "XGBoost"
page-layout: article
execute:
freeze: true
eval: false
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---
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<div id="TOC">
<ul>
<li><a href="#overview">Overview</a></li>
<li><a href="#about-the-data">About the Data</a></li>
<li><a href="#extreme-gradient-boosting">1. Extreme Gradient Boosting</a></li>
<li><a href="#gradient-boosting">2. Gradient boosting</a></li>
<li><a href="#random-forest">3. Random Forest</a></li>
<li><a href="#lasso">4. Lasso</a></li>
<li><a href="#best-subset">5. Best Subset</a></li>
<li><a href="#compare-mse">Compare MSE</a></li>
</ul>
</div>
<div id="overview" class="section level1">
<h1>Overview</h1>
<p>I first learned about eXtreme Gradient Boosting (XGBoost) from Professor Allan Just, then extended an earlier modeling exercise <a href="https://yangliuresearch.blogspot.com/2018/06/modeling-of-slums-model-selection-using.html">from my old blog</a> by comparing XGBoost, Gradient Boosting (GBM), Random Forest, Lasso, and Best Subset regression.</p>
<p>Ensemble methods are powerful because they combine many weaker predictions into a stronger model. Random Forest averages many decorrelated decision trees built from bootstrap samples. Boosting works sequentially: each new tree focuses on the residual patterns left by the previous trees.</p>
<p><strong>Correction, 2018-10-03:</strong> my first version reported a testing error almost ten times smaller than the other methods. That was a mistake. In the corrected result, XGBoost still had the lowest testing RMSE, but it was close to the other tree-based methods.</p>
<p>Link to the earlier version: <a href="https://yangliuresearch.blogspot.com/2018/06/modeling-of-slums-model-selection-using.html"><em>Model Selection using Lasso and Best Subset</em></a></p>
</div>
<div id="about-the-data" class="section level1">
<h1>About the Data</h1>
<p>In sub-Saharan Africa, where deprivations in living conditions are especially severe, slum dwellers represent an estimated 56% of the region's urban population (UN Habitat, 2016). Measuring informal settlements reliably is a critical challenge for monitoring the Sustainable Development Goals (SDGs). The data in this example were collected by Slum Dwellers International (SDI), which was nominated for the Nobel Peace Prize in 2014.</p>
<p>In this exercise, we only model <em>Share_Temporary</em>: Share of Temporary Structure in Slums as the dependent variable. The independent variables are monitoring indicators like water, sanitation, housing conditions and overcrowding in African slum settlements. Dataset dimension is 973 x 153.</p>
</div>
<div id="extreme-gradient-boosting" class="section level1">
<h1>1. Extreme Gradient Boosting</h1>
<ul>
<li>Random search: randomized parameters and update the record with best ones.</li>
<li>It turns out to be a very interesting method to scan for hyperparameters. It will take a while for 100 iterations.</li>
<li>The package <code>xgboost</code> is really fast.</li>
</ul>
<pre class="r"><code>library(xgboost)
# Randomize and bound
best_param <- list()
best_seednumber <- 1234
best_rmse <- Inf
best_rmse_index <- 0
set.seed(1234)
# In reality, might need 100 or 200 iterations
for (iter in 1:10) {
param <- list(objective = "reg:squarederror", # For regression
eval_metric = "rmse", # rmse is used for regression
max_depth = sample(6:10, 1),
eta = runif(1, .01, .1), # Learning rate, default: 0.3
subsample = runif(1, .6, .9),
colsample_bytree = runif(1, .5, .8),
min_child_weight = sample(5:10, 1), # These two are important
max_delta_step = sample(5:10, 1) # Can help to focus error
# into a small range.
)
cv.nround <- 1000
cv.nfold <- 5 # 5-fold cross-validation
seed.number <- sample.int(10000, 1) # set seed for the cv
set.seed(seed.number)
mdcv <- xgb.cv(data = dtrain, params = param,
nfold = cv.nfold, nrounds = cv.nround,
verbose = F, early_stopping_rounds = 8, maximize = FALSE)
min_rmse_index <- mdcv$best_iteration
min_rmse <- mdcv$evaluation_log[min_rmse_index]$test_rmse_mean
if (min_rmse < best_rmse) {
best_rmse <- min_rmse
best_rmse_index <- min_rmse_index
best_seednumber <- seed.number
best_param <- param
}
}</code></pre>
<ul>
<li>The best tuning parameters<br />
</li>
</ul>
<pre><code>## objective eval_metric max_depth eta subsample colsample_bytree
## 1 reg:squarederror rmse 9 0.09822 0.64 0.6853
## min_child_weight max_delta_step best_rmse_index best_rmse best_seednumber
## 1 6 8 56 0.2102 3660</code></pre>
<ul>
<li>MSE<br />
</li>
</ul>
<pre><code>## [1] 0.04237</code></pre>
<ul>
<li>Feature Importance<br />
</li>
</ul>
<pre class="r"><code>importance_matrix <- xgb.importance(feature_names = colnames(X_train),
model = xg_mod)
# Use `xgb.plot.importance`, which create a _barplot_ or use `xgb.ggplot.importance`
library(Ckmeans.1d.dp) # for xgb.ggplot.importance
xgb.ggplot.importance(importance_matrix, top_n = 15, measure = "Gain")</code></pre>
<p><img src="2018-07-09-extreme-gradient-boosting-xgboost-better-than-random-forest-or-gradient-boosting_files/figure-html/unnamed-chunk-4-1.png" width="672" /></p>
<ul>
<li>Plot only 2 trees as an example (use <code>trees</code>= 1)<br />
</li>
</ul>
<pre class="r"><code>library("DiagrammeR")
xgb.plot.tree(model = xg_mod, trees = 1, feature_names = colnames(X_train))</code></pre>
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<ul>
<li>Plot all trees on one tree and plot it: A huge plot</li>
</ul>
<pre class="r"><code>xgb.plot.multi.trees(model = xg_mod, n_first_tree = 1, feature_names = colnames(X_train))</code></pre>
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</div>
<div id="gradient-boosting" class="section level1">
<h1>2. Gradient boosting</h1>
<ul>
<li>Use library <code>gbm</code><br />
</li>
<li>Tuning Method: use <code>train</code> function from <code>caret</code> to scan a grid of parameters.</li>
</ul>
<pre class="r"><code>library(gbm) # for Gradient boosting
library(caret) # scan the parameter grid using `train` function</code></pre>
<pre class="r"><code># time_now <- Sys.time()
para_grid <- expand.grid(n.trees = (20*c(50:100)),
shrinkage = c(0.1, 0.05, 0.01),
interaction.depth = c(1,3,5),
n.minobsinnode = 10)
trainControl <- trainControl(method = "cv", number = 10)
set.seed(123)
gbm_caret <- train(Share_Temporary ~ ., mydata[train_idx,],
distribution = "gaussian", method = "gbm",
trControl = trainControl, verbose = FALSE,
tuneGrid = para_grid, metric = "RMSE", bag.fraction = 0.75)
# Sys.time() - time_now
## Time difference of 2.283 mins</code></pre>
<ul>
<li>The tuning parameters that give the lowest MSE in training set CV.</li>
</ul>
<pre><code>## n.trees interaction.depth shrinkage n.minobsinnode
## 36 1700 1 0.01 10</code></pre>
<ul>
<li>MSE</li>
</ul>
<pre><code>## [1] 0.04838</code></pre>
</div>
<div id="random-forest" class="section level1">
<h1>3. Random Forest</h1>
<ul>
<li>Use library <code>randomForest</code>.<br />
</li>
</ul>
<pre class="r"><code>library(randomForest)
rf.fit <- randomForest(Share_Temporary ~ ., data = mydata2, subset = train_idx)
# Test on test data: mydata[-train_idx,]
yhat_bag <- predict(rf.fit, newdata = mydata2[-train_idx,])</code></pre>
<ul>
<li>MSE on the testing dataset:</li>
</ul>
<pre><code>## [1] 0.04359</code></pre>
<ul>
<li><p>Feature Importance (showing top 15)</p>
<ul>
<li>The variables high on rank show the relative importance of features in the tree model</li>
<li>For example, <code>Monthly Water Cost</code>, <code>Resettled Housing</code>, and <code>Population Estimate</code> are the most influential features.</li>
</ul></li>
</ul>
<pre class="r"><code>varImpPlot(rf.fit, n.var=15)</code></pre>
<p><img src="2018-07-09-extreme-gradient-boosting-xgboost-better-than-random-forest-or-gradient-boosting_files/figure-html/unnamed-chunk-12-1.png" width="672" /></p>
</div>
<div id="lasso" class="section level1">
<h1>4. Lasso</h1>
<ul>
<li><p>Use library <code>glmnet</code>.<br />
Lasso is a shrinkage approach for feature selection. The tuning parameter <em>lambda</em> is the magnitudes of penalty. A increasing penalty shrinks coefficients towards zero. The advantage of a linear model is that the result is highly interpretable.</p></li>
<li><p>We use cross-validation to choose the lambda and corresponding features<br />
</p></li>
<li><p>The dotted line on the left is lambda.min, the lambda that generates the lowest MSE in the testing dataset. The dotted line on the right is lambda.1se, its corresponding MSE is not the lowest but acceptable, and it has even fewer features in the model. We use <code>lambda.1se</code> in our case.<br />
</p></li>
</ul>
<pre class="r"><code># Use cross-validation to select the lambda
cv_lasso = cv.glmnet(X_train, Y_train, alpha=1) # Lasso regression
plot(cv_lasso)</code></pre>
<p><img src="2018-07-09-extreme-gradient-boosting-xgboost-better-than-random-forest-or-gradient-boosting_files/figure-html/unnamed-chunk-14-1.png" width="672" /></p>
<pre class="r"><code># lambda selected by 1se rule
(best_lam <- cv_lasso$lambda.1se)</code></pre>
<pre><code>## [1] 0.03845</code></pre>
<ul>
<li>MSE<br />
</li>
</ul>
<pre class="r"><code># Check prediction error in the testing dataset
lasso_pred <- predict(lasso_mod, s = best_lam, newx = X_test)
# The Mean squared error (MSE)
(MSE_Lasso <- mean((lasso_pred - Y_test)^2))</code></pre>
<pre><code>## [1] 0.06751</code></pre>
<ul>
<li><p>The regression model for the selected lambda (lasso). We extract the coefficients from the selected model and run a linear regression.</p></li>
<li><p>The model has used 17 variables.</p></li>
<li><p>The most useful predictors selected by lasso include <code>Water_MonthlyCost</code>, <code>Water_Sources: shared_taps</code>, <code>Resettled Housing</code> and <code>Eviction Threats</code>. For these variables, higher values or binary variables being <em>Yes</em> are associated with fewer temporary structures in slums.</p></li>
<li><p>Relative importance of coefficients by showing standardized regression coefficients in decreasing order of their absolute values.<br />
</p></li>
</ul>
<pre class="r"><code>coef_table2 <- data.frame(reg_lasso_summary$coefficients, stb = c(0, lm.beta(reg_lasso_mod)))
coef_table2[order(abs(coef_table2$stb), decreasing = T),]</code></pre>
<pre><code>## Estimate Std..Error t.value Pr...t..
## B14__resettled -1.500e-01 3.232e-02 -4.641 4.404e-06
## DD1_Location_Problemscanal 1.896e-01 3.278e-02 5.785 1.261e-08
## FF11_Water_MonthlyCost -3.354e-06 6.940e-07 -4.832 1.788e-06
## FF1_8_Water_Sourceswells -1.146e-01 2.294e-02 -4.995 8.084e-07
## Eviction_Threats 1.053e-01 2.428e-02 4.337 1.736e-05
## B14__declared_legal_protected 8.688e-02 2.967e-02 2.928 3.561e-03
## DD1_Location_Problemsslope 8.235e-02 2.366e-02 3.481 5.422e-04
## EE2B_Current_Eviction_Seriousnessmedium -2.149e-01 6.549e-02 -3.282 1.101e-03
## GG1_Sewer_Line 7.801e-02 2.500e-02 3.120 1.908e-03
## FF1_8_Water_Sourceswater_tankers -1.203e-01 3.949e-02 -3.046 2.434e-03
## GG7_Managerprivate -5.983e-02 2.417e-02 -2.475 1.363e-02
## DD1_Location_Problemsflood_prone_area 4.860e-02 2.254e-02 2.156 3.152e-02
## FF1_8_Water_Sourcescommunity_taps 4.666e-02 2.929e-02 1.593 1.118e-01
## (Intercept) 3.949e-01 3.957e-02 9.979 1.479e-21
## stb
## B14__resettled -0.19503
## DD1_Location_Problemscanal 0.18221
## FF11_Water_MonthlyCost -0.17854
## FF1_8_Water_Sourceswells -0.15557
## Eviction_Threats 0.14234
## B14__declared_legal_protected 0.11390
## DD1_Location_Problemsslope 0.10926
## EE2B_Current_Eviction_Seriousnessmedium -0.10030
## GG1_Sewer_Line 0.09478
## FF1_8_Water_Sourceswater_tankers -0.09144
## GG7_Managerprivate -0.07741
## DD1_Location_Problemsflood_prone_area 0.06608
## FF1_8_Water_Sourcescommunity_taps 0.05158
## (Intercept) 0.00000</code></pre>
</div>
<div id="best-subset" class="section level1">
<h1>5. Best Subset</h1>
<ul>
<li><p>Use library <code>leaps</code>.<br />
Best subset is a subset selection approach for feature selection. Not like stepwise or forward selection, best subset check all the possible feature combinations in theory. Since I select from 49 predictors but set the maximum size of subsets to be 25, there are C(49,25) + C(49,24) + …+ C(49,0) = 345 trillion models to check. As I <a href="https://yangliuresearch.blogspot.com/2018/07/best-subset-selection-in-both-r-and-sas.html">discussed in my post</a>, it won’t be possible to scan all of them. Both R and SAS use the <em>branch and bound</em> algorithm to speed up the calculation.</p></li>
<li><p>If without cross-validation we can use the traditional way to choose model: Adjusted R-squared, Cp(AIC), or BIC.</p></li>
<li><p>The turning parameter is to decide how many predictors to use. The selected number of feature also happens to be 17.<br />
Cross-validation selects more features than BIC but fewer than Adj Rsq or Cp(AIC).</p></li>
<li><p>The regression model selected and Standardized parameter estimates showing relative feature importance in decreasing order.</p></li>
</ul>
<pre><code>## b.Estimate b.Std..Error b.t.value
## B14__resettled -2.275e-01 4.111e-02 -5.5342
## DD1_Location_Problemscanal 2.076e-01 4.235e-02 4.9029
## FF11_Water_MonthlyCost -3.553e-06 9.722e-07 -3.6545
## Eviction_Threats 1.227e-01 4.541e-02 2.7018
## B14__declared_legal_protected 1.203e-01 4.067e-02 2.9583
## FF1_8_Water_Sourceswater_tankers -1.820e-01 5.533e-02 -3.2893
## FF1_8_Water_Sourcesshared_taps -1.117e-01 4.894e-02 -2.2831
## DD1_Location_Problemsflood_prone_area 6.877e-02 3.054e-02 2.2516
## GG7_10_Toilet_Typesindividual_toilets -6.214e-02 4.268e-02 -1.4561
## FF1_8_Water_Sourcessprings -5.563e-02 4.252e-02 -1.3085
## JJ1_Electricity_Availableyes 5.644e-02 4.699e-02 1.2012
## DD1_Location_Problemsgarbage_dump -3.611e-02 3.347e-02 -1.0791
## EE2A_Current_Eviction_Threat 2.456e-02 4.528e-02 0.5425
## FF1_8_Water_Sourcesrivers -4.108e-02 5.889e-02 -0.6976
## FF1_8_Water_Sourcesdams -2.846e-02 7.258e-02 -0.3921
## FF12_Water_CollectionTime30_minutes 1.275e-02 4.478e-02 0.2847
## DD1_Location_Problemsroad_side -1.899e-03 3.160e-02 -0.0601
## (Intercept) 3.932e-01 7.437e-02 5.2871
## b.Pr...t.. stb
## B14__resettled 6.856e-08 -0.294884
## DD1_Location_Problemscanal 1.554e-06 0.205337
## FF11_Water_MonthlyCost 3.044e-04 -0.185969
## Eviction_Threats 7.293e-03 0.164439
## B14__declared_legal_protected 3.341e-03 0.156849
## FF1_8_Water_Sourceswater_tankers 1.125e-03 -0.135517
## FF1_8_Water_Sourcesshared_taps 2.313e-02 -0.096201
## DD1_Location_Problemsflood_prone_area 2.508e-02 0.093098
## GG7_10_Toilet_Typesindividual_toilets 1.464e-01 -0.058293
## FF1_8_Water_Sourcessprings 1.917e-01 -0.056320
## JJ1_Electricity_Availableyes 2.306e-01 0.050303
## DD1_Location_Problemsgarbage_dump 2.814e-01 -0.044732
## EE2A_Current_Eviction_Threat 5.879e-01 0.031196
## FF1_8_Water_Sourcesrivers 4.860e-01 -0.027726
## FF1_8_Water_Sourcesdams 6.953e-01 -0.015868
## FF12_Water_CollectionTime30_minutes 7.760e-01 0.011364
## DD1_Location_Problemsroad_side 9.521e-01 -0.002456
## (Intercept) 2.408e-07 0.000000</code></pre>
<ul>
<li>MSE</li>
</ul>
<pre><code>## [1] 0.06979</code></pre>
</div>
<div id="compare-mse" class="section level1">
<h1>Compare MSE</h1>
<ul>
<li>XGBoost has the lowest mean squared error<br />
</li>
<li>The real advantages of XGBoost include its speed and the ability to handle missing values</li>
</ul>
<pre><code>## MSE_xgb MSE_boost MSE_Lasso MSE_rForest MSE_best.subset
## 1 0.04237 0.04838 0.06751 0.04359 0.06979</code></pre>
<p><strong>Original code is saved on <a href="https://github.com/liuyanguu/Blogdown/blob/master/hugo-xmag/content/post/2018-07-09-extreme-gradient-boosting-xgboost-better-than-random-forest-or-gradient-boosting.Rmd">github</a></strong></p>
</div>