shapr

Explaining the output of machine learning models with more accurately estimated Shapley values

shapr

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Brief NEWS

Breaking change (June 2023)

As of version 0.2.3.9000, the development version of shapr (master
branch on GitHub from June 2023) has been severely restructured,
introducing a new syntax for explaining models, and thereby introducing
a range of breaking changes. This essentially amounts to using a single
function (explain()) instead of two functions (shapr() and
explain()). The CRAN version of shapr (v0.2.2) still uses the old
syntax. See the
NEWS
for details. The examples below uses the new syntax.
Here
is a version of this README with the syntax of the CRAN version
(v0.2.2).

Python wrapper

As of version 0.2.3.9100 (master branch on GitHub from June 2023), we
provide a Python wrapper (shaprpy) which allows explaining python
models with the methodology implemented in shapr, directly from
Python. The wrapper is available
here.
See also details in the
NEWS.

Introduction

The most common machine learning task is to train a model which is able
to predict an unknown outcome (response variable) based on a set of
known input variables/features. When using such models for real life
applications, it is often crucial to understand why a certain set of
features lead to exactly that prediction. However, explaining
predictions from complex, or seemingly simple, machine learning models
is a practical and ethical question, as well as a legal issue. Can I
trust the model? Is it biased? Can I explain it to others? We want to
explain individual predictions from a complex machine learning model by
learning simple, interpretable explanations.

Shapley values is the only prediction explanation framework with a solid
theoretical foundation (Lundberg and Lee (2017)). Unless the true
distribution of the features are known, and there are less than say
10-15 features, these Shapley values needs to be estimated/approximated.
Popular methods like Shapley Sampling Values (Štrumbelj and Kononenko
(2014)), SHAP/Kernel SHAP (Lundberg and Lee (2017)), and to some extent
TreeSHAP (Lundberg, Erion, and Lee (2018)), assume that the features are
independent when approximating the Shapley values for prediction
explanation. This may lead to very inaccurate Shapley values, and
consequently wrong interpretations of the predictions. Aas, Jullum, and
Løland (2021) extends and improves the Kernel SHAP method of Lundberg
and Lee (2017) to account for the dependence between the features,
resulting in significantly more accurate approximations to the Shapley
values. See the paper for details.

This package implements the methodology of Aas, Jullum, and Løland
(2021).

The following methodology/features are currently implemented:

  • Native support of explanation of predictions from models fitted with
    the following functions stats::glm, stats::lm,ranger::ranger,
    xgboost::xgboost/xgboost::xgb.train and mgcv::gam.
  • Accounting for feature dependence
    • assuming the features are Gaussian (approach = 'gaussian',
      Aas, Jullum, and Løland (2021))
    • with a Gaussian copula (approach = 'copula', Aas, Jullum, and
      Løland (2021))
    • using the Mahalanobis distance based empirical (conditional)
      distribution approach (approach = 'empirical', Aas, Jullum,
      and Løland (2021))
    • using conditional inference trees (approach = 'ctree',
      Redelmeier, Jullum, and Aas (2020)).
    • using the endpoint match method for time series
      (approach = 'timeseries', Jullum, Redelmeier, and Aas (2021))
    • using the joint distribution approach for models with purely
      cateogrical data (approach = 'categorical', Redelmeier,
      Jullum, and Aas (2020))
    • assuming all features are independent
      (approach = 'independence', mainly for benchmarking)
  • Combining any of the above methods.
  • Explain forecasts from time series models at different horizons
    with explain_forecast() (R only)
  • Batch computation to reduce memory consumption significantly
  • Parallelized computation using the
    future framework. (R only)
  • Progress bar showing computation progress, using the
    progressr package. Must be
    activated by the user.
  • Optional use of the AICc criterion of Hurvich, Simonoff, and
    Tsai (1998) when optimizing the bandwidth parameter in the empirical
    (conditional) approach of Aas, Jullum, and Løland (2021).
  • Functionality for visualizing the explanations. (R only)
  • Support for models not supported natively.

Note the prediction outcome must be numeric. All approaches except
approach = 'categorical' works for numeric features, but unless the
models are very gaussian-like, we recommend approach = 'ctree' or
approach = 'empirical', especially if there are discretely distributed
features. When the models contains both numeric and categorical
features, we recommend approach = 'ctree'. For models with a smaller
number of categorical features (without many levels) and a decent
training set, we recommend approach = 'categorical'. For (binary)
classification based on time series models, we suggest using
approach = 'timeseries'. To explain forecasts of time series models
(at different horizons), we recommend using explain_forecast() instead
of explain(). The former has a more suitable input syntax for
explaining those kinds of forecasts. See the
vignette
for details and further examples.

Unlike SHAP and TreeSHAP, we decompose probability predictions directly
to ease the interpretability, i.e. not via log odds transformations.

Installation

To install the current stable release from CRAN (note, using the old
explanation syntax), use

install.packages("shapr")

To install the current development version (with the new explanation
syntax), use

remotes::install_github("NorskRegnesentral/shapr")

If you would like to install all packages of the models we currently
support, use

remotes::install_github("NorskRegnesentral/shapr", dependencies = TRUE)

If you would also like to build and view the vignette locally, use

remotes::install_github("NorskRegnesentral/shapr", dependencies = TRUE, build_vignettes = TRUE)
vignette("understanding_shapr", "shapr")

You can always check out the latest version of the vignette
here.

Example

shapr supports computation of Shapley values with any predictive model
which takes a set of numeric features and produces a numeric outcome.

The following example shows how a simple xgboost model is trained
using the airquality dataset, and how shapr explains the individual
predictions.

library(xgboost)
library(shapr)

data("airquality")
data <- data.table::as.data.table(airquality)
data <- data[complete.cases(data), ]

x_var <- c("Solar.R", "Wind", "Temp", "Month")
y_var <- "Ozone"

ind_x_explain <- 1:6
x_train <- data[-ind_x_explain, ..x_var]
y_train <- data[-ind_x_explain, get(y_var)]
x_explain <- data[ind_x_explain, ..x_var]

# Looking at the dependence between the features
cor(x_train)
#>            Solar.R       Wind       Temp      Month
#> Solar.R  1.0000000 -0.1243826  0.3333554 -0.0710397
#> Wind    -0.1243826  1.0000000 -0.5152133 -0.2013740
#> Temp     0.3333554 -0.5152133  1.0000000  0.3400084
#> Month   -0.0710397 -0.2013740  0.3400084  1.0000000

# Fitting a basic xgboost model to the training data
model <- xgboost(
  data = as.matrix(x_train),
  label = y_train,
  nround = 20,
  verbose = FALSE
)

# Specifying the phi_0, i.e. the expected prediction without any features
p0 <- mean(y_train)

# Computing the actual Shapley values with kernelSHAP accounting for feature dependence using
# the empirical (conditional) distribution approach with bandwidth parameter sigma = 0.1 (default)
explanation <- explain(
  model = model,
  x_explain = x_explain,
  x_train = x_train,
  approach = "empirical",
  prediction_zero = p0
)
#> Note: Feature classes extracted from the model contains NA.
#> Assuming feature classes from the data are correct.
#> Setting parameter 'n_batches' to 2 as a fair trade-off between memory consumption and computation time.
#> Reducing 'n_batches' typically reduces the computation time at the cost of increased memory consumption.

# Printing the Shapley values for the test data.
# For more information about the interpretation of the values in the table, see ?shapr::explain.
print(explanation$shapley_values)
#>        none    Solar.R      Wind      Temp      Month
#> 1: 43.08571 13.2117337  4.785645 -25.57222  -5.599230
#> 2: 43.08571 -9.9727747  5.830694 -11.03873  -7.829954
#> 3: 43.08571 -2.2916185 -7.053393 -10.15035  -4.452481
#> 4: 43.08571  3.3254595 -3.240879 -10.22492  -6.663488
#> 5: 43.08571  4.3039571 -2.627764 -14.15166 -12.266855
#> 6: 43.08571  0.4786417 -5.248686 -12.55344  -6.645738

# Finally we plot the resulting explanations
plot(explanation)

See the
vignette
for further examples.

Contribution

All feedback and suggestions are very welcome. Details on how to
contribute can be found
here. If
you have any questions or comments, feel free to open an issue
here.

Please note that the ‘shapr’ project is released with a Contributor
Code of
Conduct
.
By contributing to this project, you agree to abide by its terms.

References

Aas, Kjersti, Martin Jullum, and Anders Løland. 2021. “Explaining
Individual Predictions When Features Are Dependent: More Accurate
Approximations to Shapley Values.” Artificial Intelligence 298.

Hurvich, Clifford M, Jeffrey S Simonoff, and Chih-Ling Tsai. 1998.
“Smoothing Parameter Selection in Nonparametric Regression Using an
Improved Akaike Information Criterion.” Journal of the Royal
Statistical Society: Series B (Statistical Methodology)
60 (2): 271–93.

Jullum, Martin, Annabelle Redelmeier, and Kjersti Aas. 2021. “Efficient
and Simple Prediction Explanations with groupShapley: A Practical
Perspective.” In Proceedings of the 2nd Italian Workshop on Explainable
Artificial Intelligence
, 28–43. CEUR Workshop Proceedings.

Lundberg, Scott M, Gabriel G Erion, and Su-In Lee. 2018. “Consistent
Individualized Feature Attribution for Tree Ensembles.” arXiv Preprint
arXiv:1802.03888
.

Lundberg, Scott M, and Su-In Lee. 2017. “A Unified Approach to
Interpreting Model Predictions.” In Advances in Neural Information
Processing Systems
, 4765–74.

Redelmeier, Annabelle, Martin Jullum, and Kjersti Aas. 2020. “Explaining
Predictive Models with Mixed Features Using Shapley Values and
Conditional Inference Trees.” In International Cross-Domain Conference
for Machine Learning and Knowledge Extraction
, 117–37. Springer.

Štrumbelj, Erik, and Igor Kononenko. 2014. “Explaining Prediction Models
and Individual Predictions with Feature Contributions.” Knowledge and
Information Systems
41 (3): 647–65.