context('Test prediction of feature interactions') require(xgboost) set.seed(123) n_threads <- 2 test_that("SHAP contribution values are not NAN", { d <- data.frame( x1 = c(-2.3, 1.4, 5.9, 2, 2.5, 0.3, -3.6, -0.2, 0.5, -2.8, -4.6, 3.3, -1.2, -1.1, -2.3, 0.4, -1.5, -0.2, -1, 3.7), x2 = c(291.179171, 269.198331, 289.942097, 283.191669, 269.673332, 294.158346, 287.255835, 291.530838, 285.899586, 269.290833, 268.649586, 291.530841, 280.074593, 269.484168, 293.94042, 294.327506, 296.20709, 295.441669, 283.16792, 270.227085), y = c(9, 15, 5.7, 9.2, 22.4, 5, 9, 3.2, 7.2, 13.1, 7.8, 16.9, 6.5, 22.1, 5.3, 10.4, 11.1, 13.9, 11, 20.5), fold = c(2, 2, 2, 1, 2, 2, 1, 2, 1, 1, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2)) ivs <- c("x1", "x2") fit <- xgboost( verbose = 0, params = list( objective = "reg:squarederror", eval_metric = "rmse", nthread = n_threads ), data = as.matrix(subset(d, fold == 2)[, ivs]), label = subset(d, fold == 2)$y, nrounds = 3 ) shaps <- as.data.frame(predict(fit, newdata = as.matrix(subset(d, fold == 1)[, ivs]), predcontrib = TRUE)) result <- cbind(shaps, sum = rowSums(shaps), pred = predict(fit, newdata = as.matrix(subset(d, fold == 1)[, ivs]))) expect_true(identical(TRUE, all.equal(result$sum, result$pred, tol = 1e-6))) }) test_that("multiclass feature interactions work", { dm <- xgb.DMatrix( as.matrix(iris[, -5]), label = as.numeric(iris$Species) - 1, nthread = n_threads ) param <- list( eta = 0.1, max_depth = 4, objective = 'multi:softprob', num_class = 3, nthread = n_threads ) b <- xgb.train(param, dm, 40) pred <- t( array( data = predict(b, dm, outputmargin = TRUE), dim = c(3, 150) ) ) # SHAP contributions: cont <- predict(b, dm, predcontrib = TRUE) expect_length(cont, 3) # rewrap them as a 3d array cont <- array( data = unlist(cont), dim = c(150, 5, 3) ) # make sure for each row they add up to marginal predictions expect_lt(max(abs(apply(cont, c(1, 3), sum) - pred)), 0.001) # SHAP interaction contributions: intr <- predict(b, dm, predinteraction = TRUE) expect_length(intr, 3) # rewrap them as a 4d array intr <- aperm( a = array( data = unlist(intr), dim = c(150, 5, 5, 3) ), perm = c(4, 1, 2, 3) # [grp, row, col, col] ) # check the symmetry expect_lt(max(abs(aperm(intr, c(1, 2, 4, 3)) - intr)), 0.00001) # sums WRT columns must be close to feature contributions expect_lt(max(abs(apply(intr, c(1, 2, 3), sum) - aperm(cont, c(3, 1, 2)))), 0.00001) }) test_that("SHAP single sample works", { train <- agaricus.train test <- agaricus.test booster <- xgboost( data = train$data, label = train$label, max_depth = 2, nrounds = 4, objective = "binary:logistic", nthread = n_threads ) predt <- predict( booster, newdata = train$data[1, , drop = FALSE], predcontrib = TRUE ) expect_equal(dim(predt), c(1, dim(train$data)[2] + 1)) predt <- predict( booster, newdata = train$data[1, , drop = FALSE], predinteraction = TRUE ) expect_equal(dim(predt), c(1, dim(train$data)[2] + 1, dim(train$data)[2] + 1)) })