Easy leave-one-out cross validation with pipelearner
@drsimonj here to show you how to do leave-one-out cross validation using pipelearner.
Leave-one-out cross validation
Leave-one-out is a type of cross validation whereby the following is done for each observation in the data:
- Run model on all other observations
- Use model to predict value for observation
This means that a model is fitted, and a predicted is made n times where n is the number of observations in your data.
Leave-one-out in pipelearner
pipelearner is a package for streamlining machine learning pipelines, including cross validation. If you’re new to it, check out blogR for other relevant posts.
To demonstrate, let’s use regression to predict horsepower (
hp) with all other variables in the
mtcars data set. Set this up in pipelearner as follows:
library(pipelearner) pl <- pipelearner(mtcars, lm, hp ~ .)
How cross validation is done is handled by
learn_cvpairs(). For leave-one-out, specify k = number of rows:
pl <- learn_cvpairs(pl, k = nrow(mtcars))
learn() the model on all folds:
pl <- learn(pl)
This can all be written in a pipeline:
pl <- pipelearner(mtcars, lm, hp ~ .) %>% learn_cvpairs(k = nrow(mtcars)) %>% learn() pl #> # A tibble: 32 × 9 #> models.id cv_pairs.id train_p fit target model params #> <chr> <chr> <dbl> <list> <chr> <chr> <list> #> 1 1 01 1 <S3: lm> hp lm <list > #> 2 1 02 1 <S3: lm> hp lm <list > #> 3 1 03 1 <S3: lm> hp lm <list > #> 4 1 04 1 <S3: lm> hp lm <list > #> 5 1 05 1 <S3: lm> hp lm <list > #> 6 1 06 1 <S3: lm> hp lm <list > #> 7 1 07 1 <S3: lm> hp lm <list > #> 8 1 08 1 <S3: lm> hp lm <list > #> 9 1 09 1 <S3: lm> hp lm <list > #> 10 1 10 1 <S3: lm> hp lm <list > #> # ... with 22 more rows, and 2 more variables: train <list>, test <list>
Performance can be evaluated in many ways depending on your model. We will calculate R2:
library(tidyverse) # Extract true and predicted values of hp for each observation pl <- pl %>% mutate(true = map2_dbl(test, target, ~as.data.frame(.x)[[.y]]), predicted = map2_dbl(fit, test, predict)) # Summarise results results <- pl %>% summarise( sse = sum((predicted - true)^2), sst = sum(true^2) ) %>% mutate(r_squared = 1 - sse / sst) results #> # A tibble: 1 × 3 #> sse sst r_squared #> <dbl> <dbl> <dbl> #> 1 41145.56 834278 0.9506812
Using leave-one-out cross validation, the regression model obtains an R2 of 0.95 when generalizing to predict horsepower in new data.
We’ll conclude with a plot of each true data point and it’s predicted value:
pl %>% ggplot(aes(true, predicted)) + geom_point(size = 2) + geom_abline(intercept = 0, slope = 1, linetype = 2) + theme_minimal() + labs(x = "True value", y = "Predicted value") + ggtitle("True against predicted values based\non leave-one-one cross validation")
Thanks for reading and I hope this was useful for you.
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If you’d like the code that produced this blog, check out the blogR GitHub repository.