From d4eca76ec1b24cf4d176cfa4419af89339573940 Mon Sep 17 00:00:00 2001 From: LHBO <92097196+LHBO@users.noreply.github.com> Date: Mon, 11 Dec 2023 14:37:52 +0000 Subject: [PATCH] =?UTF-8?q?Deploying=20to=20gh-pages=20from=20@=20NorskReg?= =?UTF-8?q?nesentral/shapr@579724ba9aac9d0aa12f127b53bbf0f7d4a99eb3=20?= =?UTF-8?q?=F0=9F=9A=80?= MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit --- articles/understanding_shapr.html | 405 ++++++++++++++++-- .../figure-html/unnamed-chunk-12-1.png | Bin 34022 -> 46006 bytes .../figure-html/unnamed-chunk-12-2.png | Bin 0 -> 61418 bytes .../figure-html/unnamed-chunk-12-3.png | Bin 0 -> 60494 bytes .../figure-html/unnamed-chunk-13-1.png | Bin 85795 -> 43927 bytes .../figure-html/unnamed-chunk-14-1.png | Bin 0 -> 43149 bytes .../figure-html/unnamed-chunk-20-1.png | Bin 0 -> 49718 bytes .../figure-html/unnamed-chunk-22-1.png | Bin 0 -> 35168 bytes .../figure-html/unnamed-chunk-23-1.png | Bin 0 -> 51660 bytes .../figure-html/unnamed-chunk-23-2.png | Bin 0 -> 51660 bytes index.html | 2 +- pkgdown.yml | 2 +- reference/compute_MSEv_eval_crit.html | 169 ++++++++ reference/compute_shapley_new.html | 2 +- reference/explain.html | 13 +- reference/explain_forecast.html | 7 +- reference/finalize_explanation.html | 5 +- reference/get_data_specs.html | 2 +- reference/index.html | 4 + reference/plot_MSEv_eval_crit-1.png | Bin 0 -> 49788 bytes reference/plot_MSEv_eval_crit.html | 338 +++++++++++++++ reference/setup.html | 10 +- sitemap.xml | 6 + 23 files changed, 926 insertions(+), 39 deletions(-) create mode 100644 articles/understanding_shapr_files/figure-html/unnamed-chunk-12-2.png create mode 100644 articles/understanding_shapr_files/figure-html/unnamed-chunk-12-3.png create mode 100644 articles/understanding_shapr_files/figure-html/unnamed-chunk-14-1.png create mode 100644 articles/understanding_shapr_files/figure-html/unnamed-chunk-20-1.png create mode 100644 articles/understanding_shapr_files/figure-html/unnamed-chunk-22-1.png create mode 100644 articles/understanding_shapr_files/figure-html/unnamed-chunk-23-1.png create mode 100644 articles/understanding_shapr_files/figure-html/unnamed-chunk-23-2.png create mode 100644 reference/compute_MSEv_eval_crit.html create mode 100644 reference/plot_MSEv_eval_crit-1.png create mode 100644 reference/plot_MSEv_eval_crit.html diff --git a/articles/understanding_shapr.html b/articles/understanding_shapr.html index 1586c8068..8de800c0c 100644 --- a/articles/understanding_shapr.html +++ b/articles/understanding_shapr.html @@ -82,7 +82,8 @@

shapr: Explaining individual machine learning predictions with Shapley values

Camilla -Lingjærde, Martin Jullum & Nikolai Sellereite

+Lingjærde, Martin Jullum, Lars Henry Berge Olsen & Nikolai +Sellereite Source: vignettes/understanding_shapr.Rmd @@ -415,7 +416,7 @@

Exampleslibrary(data.table) data("airquality") -data <- data.table::as.data.table(airquality) +data <- data.table::as.data.table(airquality) data <- data[complete.cases(data), ] x_var <- c("Solar.R", "Wind", "Temp", "Month") @@ -607,7 +608,7 @@

Examples } data_ts[n, ] <- m_1[-1] } -data_ts <- data.table::as.data.table(data_ts) +data_ts <- data.table::as.data.table(data_ts) x_var_ts <- paste0("X", 1:40) y_var_ts <- "X41" @@ -642,6 +643,307 @@

Examples group = group_ts )
+

MSEv evaluation criterion +

+

We can use the \(\operatorname{MSE}_{v}\) criterion proposed +by Frye et al. (2021), and later used by, +e.g., Olsen et al. (2022) and Olsen et al. (2023), to evaluate and rank the +approaches/methods. The \(\operatorname{MSE}_{v}\) is given by

+\[\begin{align} + \label{eq:MSE_v} + \operatorname{MSE}_{v} = \operatorname{MSE}_{v}(\text{method } +\texttt{q}) + = + \frac{1}{N_\mathcal{S}} \sum_{\mathcal{S} \in +\mathcal{P}^*(\mathcal{M})} \frac{1}{N_\text{explain}} + \sum_{i=1}^{N_\text{explain}} \left( f(\boldsymbol{x}^{[i]}) - +{\hat{v}}_{\texttt{q}}(\mathcal{S}, \boldsymbol{x}^{[i]})\right)^2\!, +\end{align}\] +

where \({\hat{v}}_{\texttt{q}}\) is +the estimated contribution function using method \(\texttt{q}\) and \(N_\mathcal{S} = |\mathcal{P}^*(\mathcal{M})| = +2^M-2\), i.e., we have removed the empty (\(\mathcal{S} = \emptyset\)) and the grand +combinations (\(\mathcal{S} = +\mathcal{M}\)) as they are method independent. Meaning that these +two combinations do not influence the ranking of the methods as the +methods are not used to compute the contribution function for them.

+

The motivation behind the \(\operatorname{MSE}_{v}\) criterion is that +\(\mathbb{E}_\mathcal{S}\mathbb{E}_{\boldsymbol{x}} +(v_{\texttt{true}}(\mathcal{S},\boldsymbol{x}) - +\hat{v}_{\texttt{q}}(\mathcal{S}, \boldsymbol{x}))^2\) can be +decomposed as

+\[\begin{align} + \label{eq:expectation_decomposition} + \begin{split} + \mathbb{E}_\mathcal{S}\mathbb{E}_{\boldsymbol{x}} +(v_{\texttt{true}}(\mathcal{S}, \boldsymbol{x})- +\hat{v}_{\texttt{q}}(\mathcal{S}, \boldsymbol{x}))^2 + &= + \mathbb{E}_\mathcal{S}\mathbb{E}_{\boldsymbol{x}} (f(\boldsymbol{x}) +- \hat{v}_{\texttt{q}}(\mathcal{S}, \boldsymbol{x}))^2 \\ + &\phantom{\,\,\,\,\,\,\,}- +\mathbb{E}_\mathcal{S}\mathbb{E}_{\boldsymbol{x}} +(f(\boldsymbol{x})-v_{\texttt{true}}(\mathcal{S}, \boldsymbol{x}))^2, + \end{split} +\end{align}\] +

see Appendix A in Covert, Lundberg, and Lee +(2020). The first term on the right-hand side of the equation +above can be estimated by \(\operatorname{MSE}_{v}\), while the second +term is a fixed (unknown) constant not influenced by the approach . +Thus, a low value of \(\operatorname{MSE}_{v}\) indicates that the +estimated contribution function \(\hat{v}_{\texttt{q}}\) is closer to the +true counterpart \(v_{\texttt{true}}\) +than a high value.

+

In shapr, we allow for weighting the combinations in the +\(\operatorname{MSE}_{v}\) evaluation +criterion either uniformly or by using the corresponding Shapley kernel +weights (or the sampling frequencies when sampling of combinations is +used). This is determined by the logical parameter +MSEv_uniform_comb_weights in the explain() +function, and the default is to do uniform weighting, that is, +MSEv_uniform_comb_weights = TRUE.

+
+

Advantage: +

+

An advantage of the \(\operatorname{MSE}_{v}\) criterion is that +\(v_\texttt{true}\) is not involved. +Thus, we can apply it as an evaluation criterion to real-world data sets +where the true Shapley values are unknown.

+
+
+

Disadvantages: +

+

First, we can only use the \(\operatorname{MSE}_{v}\) criterion to rank +the methods and not assess their closeness to the optimum since the +minimum value of the \(\operatorname{MSE}_{v}\) criterion is +unknown. Second, the criterion evaluates the contribution functions and +not the Shapley values.

+

Note that Olsen et al. (2023) observed +a relatively linear relationship between the \(\operatorname{MSE}_{v}\) criterion and the +mean absolute error \((\operatorname{MAE})\) between the true and +estimated Shapley values in extensive simulation studies where the true +Shapley values were known. That is, a method that achieves a low \(\operatorname{MSE}_{v}\) score also tends +to obtain a low \(\operatorname{MAE}\) +score, and vice versa.

+
+
+

Confidence intervals +

+

The \(\operatorname{MSE}_{v}\) +criterion can be written as \(\operatorname{MSE}_{v} = +\frac{1}{N_\text{explain}}\sum_{i=1}^{N_\text{explain}} +\operatorname{MSE}_{v,\text{explain }i}\). We can therefore use +the central limit theorem to compute an approximate confidence interval +for the \(\operatorname{MSE}_{v}\) +criterion. We have that \(\operatorname{MSE}_{v} \pm +t_{\alpha/2}\frac{\operatorname{SD}(\operatorname{MSE}_{v})}{\sqrt{N_\text{explain}}}\) +is a \((1-\alpha/2)\%\) approximate +confidence interval for the evaluation criterion, where \(t_{\alpha/2}\) is the \(\alpha/2\) percentile of the \(T_{N_\text{explain}-1}\) distribution. Note +that \(N_\text{explain}\) should be +large (rule of thumb is at least \(30\)) for the central limit theorem to be +valid. The quantities \(\operatorname{MSE}_{v}\) and \(\frac{\operatorname{SD}(\operatorname{MSE}_{v})}{\sqrt{N_\text{explain}}}\) +are returned by the explain() function in the +MSEv list of data tables. We can also compute similar +approximate confidence interval for \(\operatorname{MSE}_{v}\) criterion for each +combination/coalition when only averaging over the observations. +However, it does not make sense in the other direction, i.e., when only +averaging over the combinations for each observation, as each +combination is a different prediction tasks.

+
+
+

MSEv examples +

+

Start by explaining the predictions by using different methods and +combining them into lists.

+
+# We use more explicands here for more stable confidence intervals
+ind_x_explain <- 1:25
+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]
+
+# Fitting a basic xgboost model to the training data
+model <- xgboost::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)
+
+# Independence approach
+explanation_independence <- explain(
+  model = model,
+  x_explain = x_explain,
+  x_train = x_train,
+  approach = "independence",
+  prediction_zero = p0,
+  n_samples = 1e2,
+  n_batches = 5,
+  MSEv_uniform_comb_weights = TRUE
+)
+
+# Empirical approach
+explanation_empirical <- explain(
+  model = model,
+  x_explain = x_explain,
+  x_train = x_train,
+  approach = "empirical",
+  prediction_zero = p0,
+  n_samples = 1e2,
+  n_batches = 5,
+  MSEv_uniform_comb_weights = TRUE
+)
+
+# Gaussian 1e1 approach
+explanation_gaussian_1e1 <- explain(
+  model = model,
+  x_explain = x_explain,
+  x_train = x_train,
+  approach = "gaussian",
+  prediction_zero = p0,
+  n_samples = 1e1,
+  n_batches = 5,
+  MSEv_uniform_comb_weights = TRUE
+)
+
+# Gaussian 1e2 approach
+explanation_gaussian_1e2 <- explain(
+  model = model,
+  x_explain = x_explain,
+  x_train = x_train,
+  approach = "gaussian",
+  prediction_zero = p0,
+  n_samples = 1e2,
+  n_batches = 5,
+  MSEv_uniform_comb_weights = TRUE
+)
+
+# Combined approach
+explanation_combined <- explain(
+  model = model,
+  x_explain = x_explain,
+  x_train = x_train,
+  approach = c("gaussian", "empirical", "independence"),
+  prediction_zero = p0,
+  n_samples = 1e2,
+  n_batches = 5,
+  MSEv_uniform_comb_weights = TRUE
+)
+
+# Create a list of explanations with names
+explanation_list_named <- list(
+  "Ind." = explanation_independence,
+  "Emp." = explanation_empirical,
+  "Gaus. 1e1" = explanation_gaussian_1e1,
+  "Gaus. 1e2" = explanation_gaussian_1e2,
+  "Combined" = explanation_combined
+)
+

We can then compare the different approaches by creating plots of the +\(\operatorname{MSE}_{v}\) evaluation +criterion.

+
+# Create the MSEv plots with approximate 95% confidence intervals
+MSEv_plots <- plot_MSEv_eval_crit(explanation_list_named,
+  plot_type = c("overall", "comb", "explicand"),
+  CI_level = 0.95
+)
+
+# 5 plots are made
+names(MSEv_plots)
+#> [1] "MSEv_explicand_bar"          "MSEv_explicand_line_point"  
+#> [3] "MSEv_combination_bar"        "MSEv_combination_line_point"
+#> [5] "MSEv_bar"
+

The main plot if interest is the MSEv_bar, which +displays the \(\operatorname{MSE}_{v}\) +evaluation criterion for each method averaged over both the +combinations/coalitions and test observations/explicands. However, we +can also look at the other plots where we have only averaged over the +observations or the combinations (both as bar and line plots).

+
+# The main plot of the overall MSEv averaged over both the combinations and observations
+MSEv_plots$MSEv_bar
+

+
+
+# The MSEv averaged over only the explicands for each combinations
+MSEv_plots$MSEv_combination_bar
+

+
+
+# The MSEv averaged over only the combinations for each observation/explicand
+MSEv_plots$MSEv_explicand_bar
+

+
+
+# To see which coalition S each of the `id_combination` corresponds to,
+# i.e., which features that are conditions on.
+explanation_list_named[[1]]$MSEv$MSEv_combination[, c("id_combination", "features")]
+#>     id_combination features
+#>  1:              2        1
+#>  2:              3        2
+#>  3:              4        3
+#>  4:              5        4
+#>  5:              6      1,2
+#>  6:              7      1,3
+#>  7:              8      1,4
+#>  8:              9      2,3
+#>  9:             10      2,4
+#> 10:             11      3,4
+#> 11:             12    1,2,3
+#> 12:             13    1,2,4
+#> 13:             14    1,3,4
+#> 14:             15    2,3,4
+

We can specify the index_x_explain and +id_combination parameters in +plot_MSEv_eval_crit() to only plot certain test +observations and combinations, respectively.

+
+# We can specify which test observations or combinations to plot
+plot_MSEv_eval_crit(explanation_list_named,
+  plot_type = "explicand",
+  index_x_explain = c(1, 3:4, 6),
+  CI_level = 0.95
+)$MSEv_explicand_bar
+

+
+plot_MSEv_eval_crit(explanation_list_named,
+  plot_type = "comb",
+  id_combination = c(3, 4, 9, 13:15),
+  CI_level = 0.95
+)$MSEv_combination_bar
+#> NULL
+

We can also alter the plots design-wise as we do in the code +below.

+
+bar_text_n_decimals <- 1
+CI_level <- 0.95
+MSEv_plot <- plot_MSEv_eval_crit(explanation_list_named, CI_level = CI_level)$MSEv_bar
+MSEv_plot +
+  ggplot2::scale_x_discrete(limits = rev(levels(MSEv_plot$data$Method))) +
+  ggplot2::coord_flip() +
+  ggplot2::scale_fill_brewer(palette = "Paired") +
+  ggplot2::theme_minimal() + # This must be set before other theme calls
+  ggplot2::theme(
+    plot.title = ggplot2::element_text(size = 10),
+    legend.position = "bottom"
+  ) +
+  ggplot2::geom_text(
+    ggplot2::aes(label = sprintf(
+      paste("%.", sprintf("%d", bar_text_n_decimals), "f", sep = ""),
+      round(MSEv, bar_text_n_decimals)
+    )),
+    vjust = -0.35, # This number might need altering for different plots sizes
+    hjust = 1.1, # This number might need altering for different plots sizes
+    color = "black",
+    position = ggplot2::position_dodge(0.9),
+    size = 4
+  )
+

+
+
+

Main arguments in explain

When using explain, the default behavior is to use all @@ -726,11 +1028,11 @@

Explaining a fore it may be of more interesting to explain the impact of each variable, rather than each lag of each variable. This can be done by setting group_lags = TRUE.

-
+
 # Simulate time series data with AR(1)-structure.
 set.seed(1)
 data_ts <- data.frame(Y = arima.sim(list(order = c(1, 0, 0), ar = .5), n = 500))
-data_ts <- data.table::as.data.table(data_ts)
+data_ts <- data.table::as.data.table(data_ts)
 
 # Fit an ARIMA(2, 0, 0) model.
 arima_model <- arima(data_ts, order = c(2, 0, 0))
@@ -778,8 +1080,8 @@ 

Explaining a fore model_ar_temp. This model is then used to make a forecast of the temperature of the day that comes after the last day in the data, this forecast starts from index 153.

-
-data <- data.table::as.data.table(airquality)
+
+data <- data.table::as.data.table(airquality)
 
 model_ar_temp <- ar(data$Temp, order = 2)
 
@@ -812,7 +1114,7 @@ 

Explaining a fore separately. Grouping lags may be more interesting to do in a model with multiple variables, as it is then possible to explain each variable separately.

-
+
 explanation <- explain_forecast(
   model = model_ar_temp,
   y = data[, "Temp"],
@@ -844,8 +1146,8 @@ 

Explaining a fore points, the model is just fit on the 151 first observations, leaving two observations of Wind to be used as exogenous values during the prediction phase.

-
-data <- data.table::as.data.table(airquality)
+
+data <- data.table::as.data.table(airquality)
 
 data_fit <- data[seq_len(151), ]
 
@@ -868,7 +1170,7 @@ 

Explaining a fore possible for shapr to not only explain the effect of the first lag of the exogenous variable, but also the contemporary effect during the forecasting period.

-
+
 explanation <- explain_forecast(
   model = model_ar_temp,
   y = data_fit[, "Temp"],
@@ -928,7 +1230,7 @@ 

Combined approach and "gaussian" when conditioning on respectively 1, 2 and 3 features.

-
+
 # Use the combined approach
 explanation_combined <- explain(
   model = model,
@@ -940,11 +1242,11 @@ 

Combined approach# Plot the resulting explanations for observations 1 and 6, excluding # the no-covariate effect plot(explanation_combined, bar_plot_phi0 = FALSE, index_x_explain = c(1, 6))

-

+

As a second example using "ctree" to conditin on 1 and 2 features, and "empirical" when conditioning on 3 features:

-
+
 # Use the combined approach
 explanation_combined <- explain(
   model = model,
@@ -963,7 +1265,7 @@ 

Explain groups of features) for intuition and real world examples. Explaining prediction in terms of groups of features is very easy using shapr:

-

Explain custom models @@ -1044,7 +1366,7 @@

Explain custom modelsget_model_specs function. We do this for the gbm model class from the gbm package, fitted to the same airquality data set as used above.

-
+
 library(gbm)
 #> Loaded gbm 2.1.8.1
 
@@ -1100,8 +1422,8 @@ 

Explain custom models # Plot results plot(explanation_custom, index_x_explain = c(1, 6))

-

-
+

+
 
 
 #### Minimal version of the three required model functions ####
@@ -1129,7 +1451,7 @@ 

Explain custom models # Plot results plot(explanation_custom_minimal, index_x_explain = c(1, 6))

-

+


@@ -1163,7 +1485,7 @@

Batch computation
+
 explanation_batch <- explain(
   model = model,
   x_explain = x_explain,
@@ -1197,7 +1519,7 @@ 

Parallelized computationn_batches equals some positive integer multiplied by the number of workers. Below is a basic example of a parallelization with two workers.

-
+
 library(future)
 future::plan(multisession, workers = 2)
 
@@ -1246,7 +1568,7 @@ 

Progress updatesprogressr vignette. A full code example of using progressr with shapr is shown below:

-
+
+
+Frye, Christopher, Damien de Mijolla, Tom Begley, Laurence Cowton, Megan +Stanley, and Ilya Feige. 2021. “Shapley Explainability on the Data +Manifold.” In International Conference on Learning +Representations. +
Hothorn, Torsten, Kurt Hornik, and Achim Zeileis. 2006. “Unbiased Recursive Partitioning: A Conditional Inference Framework.” @@ -1334,6 +1667,18 @@

References +Olsen, Lars Henry Berge, Ingrid Kristine Glad, Martin Jullum, and +Kjersti Aas. 2022. “Using Shapley Values and Variational +Autoencoders to Explain Predictive Models with Dependent Mixed +Features.” Journal of Machine Learning Research 23 +(213): 1–51. +

+
+———. 2023. “A Comparative Study of Methods for Estimating +Conditional Shapley Values and When to Use Them.” arXiv +Preprint arXiv:2305.09536. +
Redelmeier, Annabelle, Martin Jullum, and Kjersti Aas. 2020. “Explaining Predictive Models with Mixed Features Using Shapley diff --git a/articles/understanding_shapr_files/figure-html/unnamed-chunk-12-1.png b/articles/understanding_shapr_files/figure-html/unnamed-chunk-12-1.png index d2ae3cc9dae6002871f0e4642c90ef24c7fc3a7c..bfa327d0e94477a7a5a347bd57a29ec85e6351a9 100644 GIT binary patch literal 46006 zcmc$`1yoh-`z^W=yAV;a00Tv(1VI!eR1g6PNofV?k`|n6Myz<7fVIo+Ey3x^q?0oJ68|O8iIW(L1h1A{`=$2ws%E z8#vN#W3fwaWp-TBdS>m5uSc9WhMwCY_#44p~7{g&k5azL4z}^ddbR3Hf^D<*^-K8wLw1=>qF47zU4t$Z-$8Q}3TTU*Dc( z+#XwCIoyyHXPonl?aJ@_B9V4HY^!GZ`L6ev4FBAydJhqNh4 z>;Amlk+#uk&7YUfifaYP{=EFmv?k=wE0V?@GO52W+1&njFMEG4hwYT^vE#>2v9Vou zqh@_>WqMGdwt?C?b7{%WAXx0$H7~Z~EkX}IEldq+E_Vz!B)D0bl9bQMB@Oy6QM9gk z8ESI>s$ffG)l3uXo|)=7U24*d&2+tjWvfxvIy->u8tEjd}p-Fs=mHFO3s%z zQNlR=GjHrk(CplJw^FV}OkbH_7^gvlZmAFRsS_up5|lD5hGL?IM$#(fTQiL;J8b#~ z+srHFY9qyat$b;pvKrZ!bUmh4JCQ=m`M7b|ySV#hxPJ3#Z#i*g^^j91TKc8V+`aJT 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a/index.html b/index.html index d5b870abc..3086e27cc 100644 --- a/index.html +++ b/index.html @@ -174,7 +174,7 @@

Examplelibrary(shapr) data("airquality") -data <- data.table::as.data.table(airquality) +data <- data.table::as.data.table(airquality) data <- data[complete.cases(data), ] x_var <- c("Solar.R", "Wind", "Temp", "Month") diff --git a/pkgdown.yml b/pkgdown.yml index fe9cff91e..c63ba3767 100644 --- a/pkgdown.yml +++ b/pkgdown.yml @@ -3,7 +3,7 @@ pkgdown: 2.0.7 pkgdown_sha: ~ articles: understanding_shapr: understanding_shapr.html -last_built: 2023-11-20T16:01Z +last_built: 2023-12-11T14:36Z urls: reference: https://norskregnesentral.github.io/shapr/reference article: https://norskregnesentral.github.io/shapr/articles diff --git a/reference/compute_MSEv_eval_crit.html b/reference/compute_MSEv_eval_crit.html new file mode 100644 index 000000000..f394f01dd --- /dev/null +++ b/reference/compute_MSEv_eval_crit.html @@ -0,0 +1,169 @@ + +Mean Squared Error of the Contribution Function v(S) — compute_MSEv_eval_crit • shapr + + +
+
+ + + +
+
+ + +
+

Function that computes the Mean Squared Error (MSEv) of the contribution function +v(s) as proposed by Frye et al. (2019) and used by +Olsen et al. (2022).

+
+ +
+
compute_MSEv_eval_crit(
+  internal,
+  dt_vS,
+  MSEv_uniform_comb_weights,
+  MSEv_skip_empty_full_comb = TRUE
+)
+
+ +
+

Arguments

+
internal
+

List. +Holds all parameters, data, functions and computed objects used within explain() +The list contains one or more of the elements parameters, data, objects, output.

+ + +
dt_vS
+

Data.table of dimension n_combinations times n_explain + 1 containing the contribution function +estimates. The first column is assumed to be named id_combination and containing the ids of the combinations. +The last row is assumed to be the full combination, i.e., it contains the predicted responses for the observations +which are to be explained.

+ + +
MSEv_uniform_comb_weights
+

Logical. If TRUE (default), then the function weights the combinations +uniformly when computing the MSEv criterion. If FALSE, then the function use the Shapley kernel weights to +weight the combinations when computing the MSEv criterion. Note that the Shapley kernel weights are replaced by the +sampling frequency when not all combinations are considered.

+ + +
MSEv_skip_empty_full_comb
+

Logical. If TRUE (default), we exclude the empty and grand +combinations/coalitions when computing the MSEv evaluation criterion. This is reasonable as they are identical +for all methods, i.e., their contribution function is independent of the used method as they are special cases not +effected by the used method. If FALSE, we include the empty and grand combinations/coalitions. In this situation, +we also recommend setting MSEv_uniform_comb_weights = TRUE, as otherwise the large weights for the empty and +grand combinations/coalitions will outweigh all other combinations and make the MSEv criterion uninformative.

+ +
+
+

Value

+ + +

List containing:

MSEv
+

A data.table with the overall MSEv evaluation criterion averaged +over both the combinations/coalitions and observations/explicands. The data.table +also contains the standard deviation of the MSEv values for each explicand (only averaged over the combinations) +divided by the square root of the number of explicands.

+ +
MSEv_explicand
+

A data.table with the mean squared error for each +explicand, i.e., only averaged over the combinations/coalitions.

+ +
MSEv_combination
+

A data.table with the mean squared error for each +combination/coalition, i.e., only averaged over the explicands/observations. +The data.table also contains the standard deviation of the MSEv values for +each combination divided by the square root of the number of explicands.

+ + +
+
+

Details

+

The MSEv evaluation criterion does not rely on access to the true contribution functions nor the +true Shapley values to be computed. A lower value indicates better approximations, however, the +scale and magnitude of the MSEv criterion is not directly interpretable in regard to the precision +of the final estimated Shapley values. Olsen et al. (2022) +illustrates in Figure 11 a fairly strong linear relationship between the MSEv criterion and the +MAE between the estimated and true Shapley values in a simulation study. Note that explicands +refer to the observations whose predictions we are to explain.

+
+
+

Author

+

Lars Henry Berge Olsen

+
+ +
+ +
+ + +
+ +
+

Site built with pkgdown 2.0.7.

+
+ +
+ + + + + + + + diff --git a/reference/compute_shapley_new.html b/reference/compute_shapley_new.html index 5e44a3bc7..96820fa22 100644 --- a/reference/compute_shapley_new.html +++ b/reference/compute_shapley_new.html @@ -80,7 +80,7 @@

Arguments

Value

-

A data.table with shapley values for each test observation.

+

A data.table with Shapley values for each test observation.

diff --git a/reference/explain.html b/reference/explain.html index 2ad8078c5..8058e0b0b 100644 --- a/reference/explain.html +++ b/reference/explain.html @@ -79,6 +79,7 @@

Explain the output of machine learning models with more accurately estimated keep_samp_for_vS = FALSE, predict_model = NULL, get_model_specs = NULL, + MSEv_uniform_comb_weights = TRUE, timing = TRUE, ... )

@@ -195,6 +196,13 @@

Arguments

Can also be used to override the default function for natively supported model classes.

+
MSEv_uniform_comb_weights
+

Logical. If TRUE (default), then the function weights the combinations +uniformly when computing the MSEv criterion. If FALSE, then the function use the Shapley kernel weights to +weight the combinations when computing the MSEv criterion. Note that the Shapley kernel weights are replaced by the +sampling frequency when not all combinations are considered.

+ +
timing

Logical. Whether the timing of the different parts of the explain() should saved in the model object.

@@ -314,7 +322,10 @@

Value

List with the different parameters, data and functions used internally

pred_explain
-

Numeric vector with the predictions for the explained observations.

+

Numeric vector with the predictions for the explained observations

+ +
MSEv
+

List with the values of the MSEv evaluation criterion for the approach.

shapley_values is a data.table where the number of rows equals diff --git a/reference/explain_forecast.html b/reference/explain_forecast.html index 23fa8f411..a2d1b7a98 100644 --- a/reference/explain_forecast.html +++ b/reference/explain_forecast.html @@ -358,7 +358,10 @@

Value

List with the different parameters, data and functions used internally

pred_explain
-

Numeric vector with the predictions for the explained observations.

+

Numeric vector with the predictions for the explained observations

+ +
MSEv
+

List with the values of the MSEv evaluation criterion for the approach.

shapley_values is a data.table where the number of rows equals @@ -414,7 +417,7 @@

Examples


 # Load example data
 data("airquality")
-data <- data.table::as.data.table(airquality)
+data <- data.table::as.data.table(airquality)
 
 # Fit an AR(2) model.
 model_ar_temp <- ar(data$Temp, order = 2)
diff --git a/reference/finalize_explanation.html b/reference/finalize_explanation.html
index 7d35b7de6..2be5b8279 100644
--- a/reference/finalize_explanation.html
+++ b/reference/finalize_explanation.html
@@ -92,7 +92,10 @@ 

Value

List with the different parameters, data and functions used internally

pred_explain
-

Numeric vector with the predictions for the explained observations.

+

Numeric vector with the predictions for the explained observations

+ +
MSEv
+

List with the values of the MSEv evaluation criterion for the approach.

shapley_values is a data.table where the number of rows equals diff --git a/reference/get_data_specs.html b/reference/get_data_specs.html index 6e74c496f..ca39f21aa 100644 --- a/reference/get_data_specs.html +++ b/reference/get_data_specs.html @@ -107,7 +107,7 @@

Examples

x_train <- head(airquality, -3) x_explain <- tail(airquality, 3) # Split data into test- and training data -x_train <- data.table::as.data.table(head(airquality)) +x_train <- data.table::as.data.table(head(airquality)) x_train[, Temp := as.factor(Temp)] #> Ozone Solar.R Wind Temp Month Day #> 1: 41 190 7.4 67 5 1 diff --git a/reference/index.html b/reference/index.html index c64d637a9..b64fbcf94 100644 --- a/reference/index.html +++ b/reference/index.html @@ -104,6 +104,10 @@

All functions plot(<shapr>)

Plot of the Shapley value explanations

+ +

plot_MSEv_eval_crit()

+ +

Plots of the MSEv Evaluation Criterion

process_factor_data()

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+
+ + + +
+
+ + +
+

Make plots to visualize and compare the MSEv evaluation criterion for a list of +explain() objects applied to the same data and model. The function creates +bar plots and line plots with points to illustrate the overall MSEv evaluation +criterion, but also for each observation/explicand and combination by only averaging over +the combinations and observations/explicands, respectively.

+
+ +
+
plot_MSEv_eval_crit(
+  explanation_list,
+  index_x_explain = NULL,
+  id_combination = NULL,
+  CI_level = if (length(explanation_list[[1]]$pred_explain) < 20) NULL else 0.95,
+  geom_col_width = 0.9,
+  plot_type = "overall"
+)
+
+ +
+

Arguments

+
explanation_list
+

A list of explain() objects applied to the same data and model. +If the entries in the list are named, then the function use these names. Otherwise, they default to +the approach names (with integer suffix for duplicates) for the explanation objects in explanation_list.

+ + +
index_x_explain
+

Integer vector. +Which of the test observations to plot. E.g. if you have +explained 10 observations using explain(), you can generate a plot for the first 5 +observations by setting index_x_explain = 1:5.

+ + +
id_combination
+

Integer vector. Which of the combinations (coalitions) to plot. +E.g. if you used n_combinations = 16 in explain(), you can generate a plot for the +first 5 combinations and the 10th by setting id_combination = c(1:5, 10).

+ + +
CI_level
+

Positive numeric between zero and one. Default is 0.95 if the number of observations to explain is +larger than 20, otherwise CI_level = NULL, which removes the confidence intervals. The level of the approximate +confidence intervals for the overall MSEv and the MSEv_combination. The confidence intervals are based on that +the MSEv scores are means over the observations/explicands, and that means are approximation normal. Since the +standard deviations are estimated, we use the quantile t from the T distribution with N_explicands - 1 degrees of +freedom corresponding to the provided level. Here, N_explicands is the number of observations/explicands. +MSEv ± tSD(MSEv)/sqrt(N_explicands). Note that the explain() function already scales the standard deviation by +sqrt(N_explicands), thus, the CI are MSEv ± tMSEv_sd, where the values MSEv and MSEv_sd are extracted from the +MSEv data.tables in the objects in the explanation_list.

+ + +
geom_col_width
+

Numeric. Bar width. By default, set to 90% of the ggplot2::resolution() of the data.

+ + +
plot_type
+

Character vector. The possible options are "overall" (default), "comb", and "explicand". +If plot_type = "overall", then the plot (one bar plot) associated with the overall MSEv evaluation criterion +for each method is created, i.e., when averaging over both the combinations/coalitions and observations/explicands. +If plot_type = "comb", then the plots (one line plot and one bar plot) associated with the MSEv evaluation +criterion for each combination/coalition are created, i.e., when we only average over the observations/explicands. +If plot_type = "explicand", then the plots (one line plot and one bar plot) associated with the MSEv evaluation +criterion for each observations/explicands are created, i.e., when we only average over the combinations/coalitions. +If plot_type is a vector of one or several of "overall", "comb", and "explicand", then the associated plots are +created.

+ +
+
+

Value

+ + +

Either a single ggplot2::ggplot() object of the MSEv criterion when plot_type = "overall", or a list +of ggplot2::ggplot() objects based on the plot_type parameter.

+
+
+

Author

+

Lars Henry Berge Olsen

+
+ +
+

Examples

+
# Load necessary librarieslibrary(xgboost)
+library(data.table)
+library(shapr)
+library(ggplot2)
+
+# Get the data
+data("airquality")
+data <- data.table::as.data.table(airquality)
+data <- data[complete.cases(data), ]
+
+#' Define the features and the response
+x_var <- c("Solar.R", "Wind", "Temp", "Month")
+y_var <- "Ozone"
+
+# Split data into test and training data set
+ind_x_explain <- 1:25
+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]
+
+# Fitting a basic xgboost model to the training data
+model <- xgboost::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
+prediction_zero <- mean(y_train)
+
+# Independence approach
+explanation_independence <- explain(
+  model = model,
+  x_explain = x_explain,
+  x_train = x_train,
+  approach = "independence",
+  prediction_zero = prediction_zero,
+  n_samples = 1e2
+)
+#> 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.
+
+# Gaussian 1e1 approach
+explanation_gaussian_1e1 <- explain(
+  model = model,
+  x_explain = x_explain,
+  x_train = x_train,
+  approach = "gaussian",
+  prediction_zero = prediction_zero,
+  n_samples = 1e1
+)
+#> Note: Feature classes extracted from the model contains NA.
+#> Assuming feature classes from the data are correct.
+#> Setting parameter 'n_batches' to 10 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.
+
+# Gaussian 1e2 approach
+explanation_gaussian_1e2 <- explain(
+  model = model,
+  x_explain = x_explain,
+  x_train = x_train,
+  approach = "gaussian",
+  prediction_zero = prediction_zero,
+  n_samples = 1e2
+)
+#> Note: Feature classes extracted from the model contains NA.
+#> Assuming feature classes from the data are correct.
+#> Setting parameter 'n_batches' to 10 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.
+
+# ctree approach
+explanation_ctree <- explain(
+  model = model,
+  x_explain = x_explain,
+  x_train = x_train,
+  approach = "ctree",
+  prediction_zero = prediction_zero,
+  n_samples = 1e2
+)
+#> Note: Feature classes extracted from the model contains NA.
+#> Assuming feature classes from the data are correct.
+#> Setting parameter 'n_batches' to 10 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.
+
+# Combined approach
+explanation_combined <- explain(
+  model = model,
+  x_explain = x_explain,
+  x_train = x_train,
+  approach = c("gaussian", "independence", "ctree"),
+  prediction_zero = prediction_zero,
+  n_samples = 1e2
+)
+#> Note: Feature classes extracted from the model contains NA.
+#> Assuming feature classes from the data are correct.
+#> Setting parameter 'n_batches' to 10 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.
+
+# Create a list of explanations with names
+explanation_list_named <- list(
+  "Ind." = explanation_independence,
+  "Gaus. 1e1" = explanation_gaussian_1e1,
+  "Gaus. 1e2" = explanation_gaussian_1e2,
+  "Ctree" = explanation_ctree,
+  "Combined" = explanation_combined
+)
+
+if (requireNamespace("ggplot2", quietly = TRUE)) {
+  # Create the default MSEv plot where we average over both the combinations and observations
+  # with approximate 95% confidence intervals
+  plot_MSEv_eval_crit(explanation_list_named, CI_level = 0.95, plot_type = "overall")
+
+  # Can also create plots of the MSEv criterion averaged only over the combinations or observations.
+  MSEv_figures <- plot_MSEv_eval_crit(explanation_list_named,
+    CI_level = 0.95,
+    plot_type = c("overall", "comb", "explicand")
+  )
+  MSEv_figures$MSEv_bar
+  MSEv_figures$MSEv_combination_bar
+  MSEv_figures$MSEv_explicand_bar
+
+  # When there are many combinations or observations, then it can be easier to look at line plots
+  MSEv_figures$MSEv_combination_line_point
+  MSEv_figures$MSEv_explicand_line_point
+
+  # We can specify which observations or combinations to plot
+  plot_MSEv_eval_crit(explanation_list_named,
+    plot_type = "explicand",
+    index_x_explain = c(1, 3:4, 6),
+    CI_level = 0.95
+  )$MSEv_explicand_bar
+  plot_MSEv_eval_crit(explanation_list_named,
+    plot_type = "comb",
+    id_combination = c(3, 4, 9, 13:15),
+    CI_level = 0.95
+  )$MSEv_combination_bar
+
+  # We can alter the figures if other palette schemes or design is wanted
+  bar_text_n_decimals <- 1
+  MSEv_figures$MSEv_bar +
+    ggplot2::scale_x_discrete(limits = rev(levels(MSEv_figures$MSEv_bar$data$Method))) +
+    ggplot2::coord_flip() +
+    ggplot2::scale_fill_discrete() + #' Default ggplot2 palette
+    ggplot2::theme_minimal() + #' This must be set before the other theme call
+    ggplot2::theme(
+      plot.title = ggplot2::element_text(size = 10),
+      legend.position = "bottom"
+    ) +
+    ggplot2::guides(fill = ggplot2::guide_legend(nrow = 1, ncol = 6)) +
+    ggplot2::geom_text(
+      ggplot2::aes(label = sprintf(
+        paste("%.", sprintf("%d", bar_text_n_decimals), "f", sep = ""),
+        round(MSEv, bar_text_n_decimals)
+      )),
+      vjust = -1.1, # This value must be altered based on the plot dimension
+      hjust = 1.1, # This value must be altered based on the plot dimension
+      color = "black",
+      position = ggplot2::position_dodge(0.9),
+      size = 5
+    )
+}
+
+
+
+
+
+ +
+ + +
+ +
+

Site built with pkgdown 2.0.7.

+
+ +
+ + + + + + + + diff --git a/reference/setup.html b/reference/setup.html index 90328d104..1522ec73a 100644 --- a/reference/setup.html +++ b/reference/setup.html @@ -76,6 +76,7 @@

check_setup

seed, keep_samp_for_vS, feature_specs, + MSEv_uniform_comb_weights = TRUE, type = "normal", horizon = NULL, y = NULL, @@ -182,6 +183,13 @@

Arguments

+
MSEv_uniform_comb_weights
+

Logical. If TRUE (default), then the function weights the combinations +uniformly when computing the MSEv criterion. If FALSE, then the function use the Shapley kernel weights to +weight the combinations when computing the MSEv criterion. Note that the Shapley kernel weights are replaced by the +sampling frequency when not all combinations are considered.

+ +
type

Character. Either "normal" or "forecast" corresponding to function setup() is called from, @@ -249,7 +257,7 @@

Arguments

...
-

Further arguments passed to approach-specific functions.

+

Further arguments passed to specific approaches

diff --git a/sitemap.xml b/sitemap.xml index 083683866..c012c07bd 100644 --- a/sitemap.xml +++ b/sitemap.xml @@ -39,6 +39,9 @@ https://norskregnesentral.github.io/shapr/reference/check_groups.html + + https://norskregnesentral.github.io/shapr/reference/compute_MSEv_eval_crit.html + https://norskregnesentral.github.io/shapr/reference/compute_shapley_new.html @@ -138,6 +141,9 @@ https://norskregnesentral.github.io/shapr/reference/plot.shapr.html + + https://norskregnesentral.github.io/shapr/reference/plot_MSEv_eval_crit.html + https://norskregnesentral.github.io/shapr/reference/predict_model.html