From 5550e86f46463ab9ba04a20e39643766ee960a27 Mon Sep 17 00:00:00 2001 From: topepo Date: Sat, 15 Mar 2025 09:28:11 -0400 Subject: [PATCH 01/37] initial code for GauPro --- R/gp_helpers.R | 175 +++++++++++++++++++++++++++++++++++++++++++++++++ 1 file changed, 175 insertions(+) create mode 100644 R/gp_helpers.R diff --git a/R/gp_helpers.R b/R/gp_helpers.R new file mode 100644 index 00000000..9e6df14b --- /dev/null +++ b/R/gp_helpers.R @@ -0,0 +1,175 @@ +# Determine any qualitative parameters and their ranges + +find_qual_param <- function(pset) { + is_qual <- map_lgl(pset$object, ~inherits(.x, "qual_param")) + if (!any(is_qual)) { + return(list()) + } + + pset <- pset[is_qual, ] + + possible_lvl <- purrr::map(pset$object, ~.x$values) + names(possible_lvl) <- pset$id + possible_lvl +} + +# Leave as-is but scale the others; order by parameter id in pset + +# Create the kernel for the continuous parameters +# Add a new kernel for each qualitative parameter + +make_kernel <- function(pset, lvls) { + qual_ind <- which(pset$id %in% names(lvls)) + quant_ind <- setdiff(seq_along(pset$id), qual_ind) + quant_avail <- length(quant_ind) > 0 + + if (length(qual_ind) == 0) { + return(GauPro::k_Matern32(D = length(quant_ind))) + } + + num_kernels <- length(qual_ind) + quant_avail + + kernels <- vector(mode = "list", length = num_kernels) + kern_count <- 0 + + if (quant_avail) { + kernels[[1]] <- GauPro::k_IgnoreIndsKernel( + k = GauPro::k_Matern32(D = length(quant_ind)), + ignoreinds = qual_ind + ) + kern_count <- 1 + } + + for (i in seq_along(qual_ind)) { + kern_count <- kern_count + 1 + kernels[[kern_count]] <- k_FactorKernel( + D = 1, + xindex = qual_ind[i], + nlevels = length(lvls[[1]]) + ) + } + + for (i in 1:num_kernels) { + if (i == 1) { + res <- kernels[[1]] + } else { + res <- res * kernels[[i]] + } + } + res +} + +check_gp <- function(x) { + model_fail <- inherits(x, "try-error") + if (!model_fail) { + # withr::set seed + loo_res <- summary(x) + # TODO maybe capture these? + loo_bad <- loo_res$coverage95LOO < 0.1 + loo_rsq <- loo_res$r.squaredLOO + } else { + loo_bad <- TRUE + loo_rsq <- 0.0 + } + # convergence? + list(use = !loo_bad | model_fail | loo_rsq > 0.1, rsq = loo_rsq) +} + +# encode_set() was created to work on all types of tuning parameters; usage of +# GauPro means that we should not encode qualitative tuning parameters so we +# need a wrapper +partial_encode <- function(dat, pset) { + qual_info <- find_qual_param(pset) + + if (any(names(dat) == "mean")) { + outcomes <- dat$mean + } + + normalized <- encode_set( + dat %>% dplyr::select(dplyr::all_of(pset$id)), + pset = pset, + as_matrix = FALSE + ) + + # Replace with the original data when qualitative parameters + # TODO make these scaled + for (i in seq_along(qual_info)) { + nm <- names(qual_info)[i] + normalized[[nm]] <- dat[[nm]] + } + if (any(names(dat) == "mean")) { + normalized$.outcome <- dat$mean + } + normalized +} + +# ------------------------------------------------------------------------------ + +fit_gp <- function( + dat, + pset, + metric, + eval_time = NULL, + control, + previous = NULL, + ... +) { + dat <- dat %>% dplyr::filter(.metric == metric) + + if (!is.null(eval_time)) { + dat <- dat %>% dplyr::filter(.eval_time == eval_time) + } + + dat <- dat %>% + # check_gp_data() %>% + dplyr::select(dplyr::all_of(pset$id), mean) + + qual_info <- find_qual_param(pset) + + normalized <- partial_encode(dat, pset) + + gp_kernel <- make_kernel(pset, qual_info) + + # if (nrow(x) <= ncol(x) + 1 && nrow(x) > 0) { + # msg <- + # paste( + # "The Gaussian process model is being fit using ", ncol(x), + # "features but only has", nrow(x), "data points to do so. This may cause", + # "errors or a poor model fit." + # ) + # message_wrap(msg, prefix = "!", color_text = get_tune_colors()$message$warning) + # } + + if (!is.null(previous)) { + if (!previous$use) { + previous <- NULL + } + } + + if (is.null(previous)) { + # TODO withr::with_seed + set.seed(114) + gp_fit <- try( + GauPro::gpkm( + .outcome ~ ., + data = normalized, + kernel = gp_kernel, + verbose = 0, + restarts = 5, + nug.est = FALSE, + parallel = FALSE + ), + silent = TRUE + ) + } else { + new_val <- normalized %>% dplyr::slice_tail(n = 1) + new_x <- as.matrix(new_val[, pset$id]) + new_y <- new_val$.outcome + + gp_fit <- try(previous$fit$update(new_x, new_y), silent = TRUE) + } + + new_check <- check_gp(gp_fit) + + list(fit = gp_fit, use = new_check$use, rsq = new_check$rsq) +} From 6bad583584240635e27c535f8e5660fcf8a073d8 Mon Sep 17 00:00:00 2001 From: topepo Date: Thu, 20 Mar 2025 09:52:56 -0400 Subject: [PATCH 02/37] update GP check --- R/gp_helpers.R | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/R/gp_helpers.R b/R/gp_helpers.R index 9e6df14b..8aa9a6c8 100644 --- a/R/gp_helpers.R +++ b/R/gp_helpers.R @@ -72,7 +72,7 @@ check_gp <- function(x) { loo_rsq <- 0.0 } # convergence? - list(use = !loo_bad | model_fail | loo_rsq > 0.1, rsq = loo_rsq) + list(use = !loo_bad & model_fail & loo_rsq > 0.1, rsq = loo_rsq) } # encode_set() was created to work on all types of tuning parameters; usage of From 77ccb3b62705b9c0d1b5bd089f8ec175ae376442 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?=E2=80=98topepo=E2=80=99?= Date: Thu, 20 Mar 2025 18:01:26 -0400 Subject: [PATCH 03/37] more helpers --- R/gp_helpers.R | 193 ++++++++++++++++++++++++++++++++++++------------- 1 file changed, 144 insertions(+), 49 deletions(-) diff --git a/R/gp_helpers.R b/R/gp_helpers.R index 8aa9a6c8..627e39e7 100644 --- a/R/gp_helpers.R +++ b/R/gp_helpers.R @@ -1,14 +1,14 @@ # Determine any qualitative parameters and their ranges find_qual_param <- function(pset) { - is_qual <- map_lgl(pset$object, ~inherits(.x, "qual_param")) + is_qual <- map_lgl(pset$object, ~ inherits(.x, "qual_param")) if (!any(is_qual)) { return(list()) } pset <- pset[is_qual, ] - possible_lvl <- purrr::map(pset$object, ~.x$values) + possible_lvl <- purrr::map(pset$object, ~ .x$values) names(possible_lvl) <- pset$id possible_lvl } @@ -24,7 +24,7 @@ make_kernel <- function(pset, lvls) { quant_avail <- length(quant_ind) > 0 if (length(qual_ind) == 0) { - return(GauPro::k_Matern32(D = length(quant_ind))) + return(GauPro::k_Matern32(D = length(quant_ind))) } num_kernels <- length(qual_ind) + quant_avail @@ -62,50 +62,50 @@ make_kernel <- function(pset, lvls) { check_gp <- function(x) { model_fail <- inherits(x, "try-error") if (!model_fail) { - # withr::set seed - loo_res <- summary(x) - # TODO maybe capture these? - loo_bad <- loo_res$coverage95LOO < 0.1 - loo_rsq <- loo_res$r.squaredLOO + # withr::set seed + loo_res <- summary(x) + # TODO maybe capture these? + loo_bad <- loo_res$coverage95LOO < 0.1 + loo_rsq <- loo_res$r.squaredLOO } else { - loo_bad <- TRUE - loo_rsq <- 0.0 + loo_bad <- TRUE + loo_rsq <- 0.0 } # convergence? - list(use = !loo_bad & model_fail & loo_rsq > 0.1, rsq = loo_rsq) + list(use = !loo_bad & !model_fail & loo_rsq > 0.1, rsq = loo_rsq) } # encode_set() was created to work on all types of tuning parameters; usage of # GauPro means that we should not encode qualitative tuning parameters so we # need a wrapper partial_encode <- function(dat, pset) { - qual_info <- find_qual_param(pset) + qual_info <- find_qual_param(pset) - if (any(names(dat) == "mean")) { - outcomes <- dat$mean - } + if (any(names(dat) == "mean")) { + outcomes <- dat$mean + } - normalized <- encode_set( - dat %>% dplyr::select(dplyr::all_of(pset$id)), - pset = pset, - as_matrix = FALSE - ) - - # Replace with the original data when qualitative parameters - # TODO make these scaled - for (i in seq_along(qual_info)) { - nm <- names(qual_info)[i] - normalized[[nm]] <- dat[[nm]] - } - if (any(names(dat) == "mean")) { - normalized$.outcome <- dat$mean - } - normalized + normalized <- encode_set( + dat %>% dplyr::select(dplyr::all_of(pset$id)), + pset = pset, + as_matrix = FALSE + ) + + # Replace with the original data when qualitative parameters + # TODO make these scaled + for (i in seq_along(qual_info)) { + nm <- names(qual_info)[i] + normalized[[nm]] <- dat[[nm]] + } + if (any(names(dat) == "mean")) { + normalized$.outcome <- dat$mean + } + normalized } # ------------------------------------------------------------------------------ -fit_gp <- function( +fit_gp_new <- function( dat, pset, metric, @@ -130,25 +130,28 @@ fit_gp <- function( gp_kernel <- make_kernel(pset, qual_info) - # if (nrow(x) <= ncol(x) + 1 && nrow(x) > 0) { - # msg <- - # paste( - # "The Gaussian process model is being fit using ", ncol(x), - # "features but only has", nrow(x), "data points to do so. This may cause", - # "errors or a poor model fit." - # ) - # message_wrap(msg, prefix = "!", color_text = get_tune_colors()$message$warning) - # } + if (nrow(dat) <= ncol(dat) && nrow(dat) > 0) { + msg <- cli::format_inline( + "The Gaussian process model is being fit using {ncol(dat)} features but + only has {nrow(dat)} data point{?s} to do so. This may cause errors or a + poor model fit." + ) + message_wrap( + msg, + prefix = "!", + color_text = get_tune_colors()$message$warning + ) + } if (!is.null(previous)) { - if (!previous$use) { - previous <- NULL - } + if (!previous$use) { + previous <- NULL + } } if (is.null(previous)) { - # TODO withr::with_seed - set.seed(114) + # TODO withr::with_seed + set.seed(114) gp_fit <- try( GauPro::gpkm( .outcome ~ ., @@ -162,9 +165,9 @@ fit_gp <- function( silent = TRUE ) } else { - new_val <- normalized %>% dplyr::slice_tail(n = 1) - new_x <- as.matrix(new_val[, pset$id]) - new_y <- new_val$.outcome + new_val <- normalized %>% dplyr::slice_tail(n = 1) + new_x <- as.matrix(new_val[, pset$id]) + new_y <- new_val$.outcome gp_fit <- try(previous$fit$update(new_x, new_y), silent = TRUE) } @@ -173,3 +176,95 @@ fit_gp <- function( list(fit = gp_fit, use = new_check$use, rsq = new_check$rsq) } + +# ------------------------------------------------------------------------------ + +# pred_gp( +# gp_mod, +# param_info, +# control = control, +# current = mean_stats %>% +# dplyr::select(dplyr::all_of(param_info$id)) +# ) + +pred_gp_new <- function(object, pset, size = 5000, current = NULL, control) { + + candidates <- + dials::grid_space_filling(pset, size = size, type = "latin_hypercube") %>% + dplyr::distinct() + + + if (!object$use) { + n_pred <- nrow(candidates) + msg <- + cli::format_inline( + "Diagnostics indicate that the GP model should not be used. Generating an + uncertainty sample instead.") + tune_log(control, split_labels = NULL, task = msg, type = "warning") + res <- tibble::tibble(.mean = rep(NA_real_, n_pred), .sd = rep(NA_real_, n_pred)) + return(dplyr::bind_cols(candidates, res)) + } + + if (!is.null(current)) { + candidates <- + candidates %>% + dplyr::anti_join(current, by = pset$id) + } + + # if (inherits(object, "try-error") | nrow(candidates) == 0) { + # if (nrow(candidates) == 0) { + # msg <- "No remaining candidate models" + # } else { + # msg <- "An error occurred when creating candidates parameters: " + # msg <- paste(msg, as.character(object)) + # } + # tune_log(control, split_labels = NULL, task = msg, type = "warning") + # return(candidates %>% dplyr::mutate(.mean = NA_real_, .sd = NA_real_)) + # } + + # tune_log( + # control, + # split_labels = NULL, + # task = paste("Generating", nrow(candidates), "candidates"), + # type = "info", + # catalog = FALSE + # ) + + x <- partial_encode(candidates, pset) + + # tune_log( + # control, + # split_labels = NULL, + # task = "Predicted candidates", + # type = "info", + # catalog = FALSE + # ) + + gp_pred <- object$fit$pred(x, se.fit = TRUE) + gp_pred <- + tibble::as_tibble(gp_pred) %>% + dplyr::select(.mean = mean, .sd = se) + dplyr::bind_cols(candidates, gp_pred) +} + +# TODO include existing res and write function for a true uncertainty sample +pick_candidate_new <- function(results, info, control) { + bad_gp <- all(is.na(results$.mean)) + if (!bad_gp & info$uncertainty < control$uncertain) { + results <- results %>% + dplyr::arrange(dplyr::desc(objective)) %>% + dplyr::slice(1) + } else { + if (control$verbose_iter) { + msg <- paste(blue(cli::symbol$circle_question_mark), "Uncertainty sample") + message(msg) + } + results <- + results %>% + dplyr::arrange(dplyr::desc(.sd)) %>% + dplyr::slice(1:floor(.1 * nrow(results))) %>% + dplyr::sample_n(1) + } + results +} + From 8ac5024c93d030031cbc691fbbd6af0f9d6177aa Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?=E2=80=98topepo=E2=80=99?= Date: Fri, 21 Mar 2025 15:12:56 -0400 Subject: [PATCH 04/37] logging and seeds --- R/gp_helpers.R | 217 +++++++++++++++++++++++++++++-------------------- R/tune_bayes.R | 127 ++++++++++++++--------------- 2 files changed, 194 insertions(+), 150 deletions(-) diff --git a/R/gp_helpers.R b/R/gp_helpers.R index 627e39e7..cd736739 100644 --- a/R/gp_helpers.R +++ b/R/gp_helpers.R @@ -1,14 +1,14 @@ # Determine any qualitative parameters and their ranges find_qual_param <- function(pset) { - is_qual <- map_lgl(pset$object, ~ inherits(.x, "qual_param")) + is_qual <- map_lgl(pset$object, ~inherits(.x, "qual_param")) if (!any(is_qual)) { return(list()) } pset <- pset[is_qual, ] - possible_lvl <- purrr::map(pset$object, ~ .x$values) + possible_lvl <- purrr::map(pset$object, ~.x$values) names(possible_lvl) <- pset$id possible_lvl } @@ -130,7 +130,7 @@ fit_gp_new <- function( gp_kernel <- make_kernel(pset, qual_info) - if (nrow(dat) <= ncol(dat) && nrow(dat) > 0) { + if (nrow(dat) <= ncol(dat) && nrow(dat) > 0 & control$verbose_iter) { msg <- cli::format_inline( "The Gaussian process model is being fit using {ncol(dat)} features but only has {nrow(dat)} data point{?s} to do so. This may cause errors or a @@ -150,121 +150,166 @@ fit_gp_new <- function( } if (is.null(previous)) { - # TODO withr::with_seed - set.seed(114) - gp_fit <- try( - GauPro::gpkm( - .outcome ~ ., - data = normalized, - kernel = gp_kernel, - verbose = 0, - restarts = 5, - nug.est = FALSE, - parallel = FALSE - ), - silent = TRUE + withr::with_seed( + 114, + gp_fit <- try( + GauPro::gpkm( + .outcome ~ ., + data = normalized, + kernel = gp_kernel, + verbose = 0, + restarts = 5, + nug.est = FALSE, + parallel = FALSE + ), + silent = TRUE + ) ) } else { new_val <- normalized %>% dplyr::slice_tail(n = 1) new_x <- as.matrix(new_val[, pset$id]) new_y <- new_val$.outcome - gp_fit <- try(previous$fit$update(new_x, new_y), silent = TRUE) + withr::with_seed( + 114, + gp_fit <- try(previous$fit$update(new_x, new_y), silent = TRUE) + ) } new_check <- check_gp(gp_fit) - list(fit = gp_fit, use = new_check$use, rsq = new_check$rsq) + if (control$verbose_iter) { + if (new_check$use) { + msg <- cli::format_inline( + "Gaussian process model (R^2: {round(new_check$rsq * 100)}%)" + ) + message_wrap( + msg, + prefix = cli::symbol$tick, + color_text = get_tune_colors()$message$success + ) + } else { + message_wrap( + "Gaussian process model failed", + prefix = cli::symbol$tick, + color_text = get_tune_colors()$message$danger + ) + } + } + + list( + fit = gp_fit, + use = new_check$use, + rsq = new_check$rsq, + tr = as.matrix(normalized) + ) } # ------------------------------------------------------------------------------ -# pred_gp( -# gp_mod, -# param_info, -# control = control, -# current = mean_stats %>% -# dplyr::select(dplyr::all_of(param_info$id)) -# ) - pred_gp_new <- function(object, pset, size = 5000, current = NULL, control) { - - candidates <- - dials::grid_space_filling(pset, size = size, type = "latin_hypercube") %>% + candidates <- dials::grid_space_filling( + pset, + size = size, + type = "latin_hypercube" + ) %>% dplyr::distinct() - if (!object$use) { - n_pred <- nrow(candidates) - msg <- - cli::format_inline( - "Diagnostics indicate that the GP model should not be used. Generating an - uncertainty sample instead.") - tune_log(control, split_labels = NULL, task = msg, type = "warning") - res <- tibble::tibble(.mean = rep(NA_real_, n_pred), .sd = rep(NA_real_, n_pred)) - return(dplyr::bind_cols(candidates, res)) + x <- partial_encode(candidates, pset) + x_old <- object$tr + x_old <- x_old[, names(x)] + + keep_ind <- dissim_sample(x_old, x, max_n = Inf) + candidates <- candidates[keep_ind, ] %>% + dplyr::mutate(.mean = NA_real_, .sd = NA_real_) + + msg <- cli::format_inline( + "Diagnostics indicate that the GP model should not be used. Generating an uncertainty sample instead." + ) + tune_log(control, split_labels = NULL, task = msg, type = "warning") + + return(candidates) + } else { + tune_log( + control, + split_labels = NULL, + task = paste("Generating", nrow(candidates), "candidates"), + type = "info", + catalog = FALSE + ) } if (!is.null(current)) { - candidates <- - candidates %>% + candidates <- candidates %>% dplyr::anti_join(current, by = pset$id) } - # if (inherits(object, "try-error") | nrow(candidates) == 0) { - # if (nrow(candidates) == 0) { - # msg <- "No remaining candidate models" - # } else { - # msg <- "An error occurred when creating candidates parameters: " - # msg <- paste(msg, as.character(object)) - # } - # tune_log(control, split_labels = NULL, task = msg, type = "warning") - # return(candidates %>% dplyr::mutate(.mean = NA_real_, .sd = NA_real_)) - # } - - # tune_log( - # control, - # split_labels = NULL, - # task = paste("Generating", nrow(candidates), "candidates"), - # type = "info", - # catalog = FALSE - # ) + if (nrow(candidates) == 0) { + tune_log( + control, + split_labels = NULL, + task = "No remaining candidate models", + type = "warning" + ) + return(candidates %>% dplyr::mutate(.mean = NA_real_, .sd = NA_real_)) + } x <- partial_encode(candidates, pset) - # tune_log( - # control, - # split_labels = NULL, - # task = "Predicted candidates", - # type = "info", - # catalog = FALSE - # ) + tune_log( + control, + split_labels = NULL, + task = "Predicted candidates", + type = "info", + catalog = FALSE + ) gp_pred <- object$fit$pred(x, se.fit = TRUE) - gp_pred <- - tibble::as_tibble(gp_pred) %>% - dplyr::select(.mean = mean, .sd = se) + gp_pred <- tibble::as_tibble(gp_pred) %>% + dplyr::select(.mean = mean, .sd = se) dplyr::bind_cols(candidates, gp_pred) } -# TODO include existing res and write function for a true uncertainty sample +# TODO add pg obj here pick_candidate_new <- function(results, info, control) { - bad_gp <- all(is.na(results$.mean)) - if (!bad_gp & info$uncertainty < control$uncertain) { - results <- results %>% - dplyr::arrange(dplyr::desc(objective)) %>% - dplyr::slice(1) - } else { - if (control$verbose_iter) { - msg <- paste(blue(cli::symbol$circle_question_mark), "Uncertainty sample") - message(msg) - } - results <- - results %>% - dplyr::arrange(dplyr::desc(.sd)) %>% - dplyr::slice(1:floor(.1 * nrow(results))) %>% - dplyr::sample_n(1) - } - results + bad_gp <- all(is.na(results$.mean)) + if (!bad_gp & info$uncertainty < control$uncertain) { + results <- results %>% + dplyr::arrange(dplyr::desc(objective)) %>% + dplyr::slice(1) + } else { + if (control$verbose_iter) { + msg <- paste(blue(cli::symbol$circle_question_mark), "Uncertainty sample") + message(msg) + } + results <- results %>% + dplyr::arrange(dplyr::desc(.sd)) %>% + dplyr::slice(1:floor(.1 * nrow(results))) %>% + dplyr::sample_n(1) + } + results } +dissim_sample <- function(ref_data, candidates, max_n = Inf) { + # assumes both sets are normalized in the same way + if (!is.matrix(ref_data)) { + ref_data <- as.matrix(ref_data) + } + + if (!is.matrix(candidates)) { + candidates <- as.matrix(candidates) + } + + max_n <- min(max_n, nrow(candidates)) + candidates <- candidates[1:max_n, , drop = FALSE] + all_data <- rbind(ref_data, candidates) + n_ref <- nrow(ref_data) + n_all <- nrow(all_data) + distances <- stats::dist(all_data) + distances <- as.matrix(distances) + distances <- distances[1:n_ref, (n_ref + 1):n_all] + min_distances <- apply(distances, 2, function(x) min(x[x > 0])) + max_ind <- which.max(min_distances)[1] + max_ind +} diff --git a/R/tune_bayes.R b/R/tune_bayes.R index 9603b448..e97901b3 100644 --- a/R/tune_bayes.R +++ b/R/tune_bayes.R @@ -277,50 +277,50 @@ tune_bayes_workflow <- function(object, ..., call = caller_env()) { - clear_gp_results() - start_time <- proc.time()[3] + clear_gp_results() + start_time <- proc.time()[3] - initialize_catalog(control = control) + initialize_catalog(control = control) - check_rset(resamples) - rset_info <- pull_rset_attributes(resamples) + check_rset(resamples) + rset_info <- pull_rset_attributes(resamples) - check_iter(iter, call = call) + check_iter(iter, call = call) - metrics <- check_metrics_arg(metrics, object, call = call) - opt_metric <- first_metric(metrics) - opt_metric_name <- opt_metric$metric - maximize <- opt_metric$direction == "maximize" + metrics <- check_metrics_arg(metrics, object, call = call) + opt_metric <- first_metric(metrics) + opt_metric_name <- opt_metric$metric + maximize <- opt_metric$direction == "maximize" - eval_time <- check_eval_time_arg(eval_time, metrics, call = call) - opt_metric_time <- first_eval_time(metrics, metric = opt_metric_name, eval_time = eval_time, call = call) + eval_time <- check_eval_time_arg(eval_time, metrics, call = call) + opt_metric_time <- first_eval_time(metrics, metric = opt_metric_name, eval_time = eval_time, call = call) - if (is.null(param_info)) { - param_info <- hardhat::extract_parameter_set_dials(object) - } - check_workflow(object, check_dials = is.null(param_info), pset = param_info, - call = call) - check_backend_options(control$backend_options) - - unsummarized <- check_initial( - initial, - pset = param_info, - wflow = object, - resamples = resamples, - metrics = metrics, - eval_time = eval_time, - ctrl = control, - checks = "bayes" - ) + if (is.null(param_info)) { + param_info <- hardhat::extract_parameter_set_dials(object) + } + check_workflow(object, check_dials = is.null(param_info), pset = param_info, + call = call) + check_backend_options(control$backend_options) + + unsummarized <- check_initial( + initial, + pset = param_info, + wflow = object, + resamples = resamples, + metrics = metrics, + eval_time = eval_time, + ctrl = control, + checks = "bayes" + ) - # Pull outcome names from initialization run - outcomes <- peek_tune_results_outcomes(unsummarized) + # Pull outcome names from initialization run + outcomes <- peek_tune_results_outcomes(unsummarized) - # Evaluate this portion of the function in a local environment using - # `(function() expr)()` so that `on.exit()` doesn't touch the exit - # handlers attached to the execution environment of this function - # by `initialize_catalog()` (#828, #845). - (function() { + # Evaluate this portion of the function in a local environment using + # `(function() expr)()` so that `on.exit()` doesn't touch the exit + # handlers attached to the execution environment of this function + # by `initialize_catalog()` (#828, #845). + (function() { # Return whatever we have if there is a error (or execution is stopped) on.exit({ cli::cli_alert_danger("Optimization stopped prematurely; returning current results.") @@ -384,31 +384,24 @@ tune_bayes_workflow <- function(object, check_time(start_time, control$time_limit) + # Maybe remove .catch_and_log() here and do catching inside fintion set.seed(control$seed[1] + i) - gp_mod <- - .catch_and_log( - fit_gp( - mean_stats %>% dplyr::select(-.iter), - pset = param_info, - metric = opt_metric_name, - eval_time = opt_metric_time, - control = control, - ... - ), - control, - NULL, - "Gaussian process model", - notes = .notes, - catalog = FALSE - ) + gp_mod <- fit_gp_new( + mean_stats %>% dplyr::select(-.iter), + pset = param_info, + metric = opt_metric_name, + eval_time = opt_metric_time, + control = control, + ... + ) - gp_mod <- check_gp_failure(gp_mod, prev_gp_mod) + # gp_mod <- check_gp_failure(gp_mod, prev_gp_mod) check_time(start_time, control$time_limit) set.seed(control$seed[1] + i + 1) candidates <- - pred_gp( + pred_gp_new( gp_mod, param_info, control = control, current = mean_stats %>% dplyr::select(dplyr::all_of(param_info$id)) @@ -430,11 +423,17 @@ tune_bayes_workflow <- function(object, check_time(start_time, control$time_limit) - check_and_log_flow(control, candidates) + # TODO move some messages here + # check_and_log_flow(control, candidates) save_gp_results(gp_mod, param_info, control, i, iter, candidates, score_card) - candidates <- pick_candidate(candidates, score_card, control) + # candidates <- pick_candidate_new(candidates, score_card, control) + + candidates <- candidates %>% + dplyr::arrange(dplyr::desc(objective)) %>% + dplyr::slice(1) + if (score_card$uncertainty >= control$uncertain) { score_card$uncertainty <- -1 # is updated in update_score_card() below } @@ -517,8 +516,8 @@ tune_bayes_workflow <- function(object, .stash_last_result(res) res - })() # end of self calling lambda - } + })() # end of self calling lambda +} create_initial_set <- function(param, n = NULL, checks) { check_param_objects(param) @@ -610,13 +609,13 @@ fit_gp <- function(dat, pset, metric, eval_time = NULL, control, ...) { opts <- list(...) withCallingHandlers({ - if (any(names(opts) == "trace") && opts$trace) { - gp_fit <- GPfit::GP_fit(X = x, Y = dat$mean, ...) - } else { - tmp_output <- utils::capture.output( + if (any(names(opts) == "trace") && opts$trace) { gp_fit <- GPfit::GP_fit(X = x, Y = dat$mean, ...) - ) - }}, + } else { + tmp_output <- utils::capture.output( + gp_fit <- GPfit::GP_fit(X = x, Y = dat$mean, ...) + ) + }}, warning = function(w) { if (w$message == "X should be in range (0, 1)") { rlang::cnd_muffle(w) From 42e967f26ce31fa769176a7b8e427cbe34fbbb30 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?=E2=80=98topepo=E2=80=99?= Date: Fri, 21 Mar 2025 15:45:23 -0400 Subject: [PATCH 05/37] update messages --- R/checks.R | 10 +--------- R/gp_helpers.R | 13 ++++++++----- 2 files changed, 9 insertions(+), 14 deletions(-) diff --git a/R/checks.R b/R/checks.R index b7111a34..50481009 100644 --- a/R/checks.R +++ b/R/checks.R @@ -222,15 +222,7 @@ check_bayes_initial_size <- function(num_param, num_grid, race = FALSE) { "i" = "The GP model requires 2+ initial points. For best performance, supply more initial points than there are tuning parameters." ) - bullet_msg <- - c( - `!` = "{msg}", - `*` = cli::pluralize( - "There are {cli::qty(diff)}{?as many/more} tuning parameters - {cli::qty(diff)}{?as/than} there are initial points. - This is likely to cause numerical issues in the first few - search iterations.") - ) + bullet_msg <- c(`!` = "{msg}") if (race) { diff --git a/R/gp_helpers.R b/R/gp_helpers.R index cd736739..3834873d 100644 --- a/R/gp_helpers.R +++ b/R/gp_helpers.R @@ -125,15 +125,18 @@ fit_gp_new <- function( dplyr::select(dplyr::all_of(pset$id), mean) qual_info <- find_qual_param(pset) + num_pred <- nrow(pset) + num_cand <- nrow(dat) + normalized <- partial_encode(dat, pset) gp_kernel <- make_kernel(pset, qual_info) - if (nrow(dat) <= ncol(dat) && nrow(dat) > 0 & control$verbose_iter) { + if (num_cand <= num_pred && num_cand > 0 & control$verbose_iter) { msg <- cli::format_inline( - "The Gaussian process model is being fit using {ncol(dat)} features but - only has {nrow(dat)} data point{?s} to do so. This may cause errors or a + "The Gaussian process model is being fit using {num_pred} feature{?s} but + only has {num_cand} data point{?s} to do so. This may cause errors or a poor model fit." ) message_wrap( @@ -181,7 +184,7 @@ fit_gp_new <- function( if (control$verbose_iter) { if (new_check$use) { msg <- cli::format_inline( - "Gaussian process model (R^2: {round(new_check$rsq * 100)}%)" + "Gaussian process model (LOO R^2: {round(new_check$rsq * 100)}%)" ) message_wrap( msg, @@ -225,7 +228,7 @@ pred_gp_new <- function(object, pset, size = 5000, current = NULL, control) { dplyr::mutate(.mean = NA_real_, .sd = NA_real_) msg <- cli::format_inline( - "Diagnostics indicate that the GP model should not be used. Generating an uncertainty sample instead." + "Generating a candidate as far away from existing points as possible." ) tune_log(control, split_labels = NULL, task = msg, type = "warning") From 5ec06f78fe0d5c56c2ad0f6e89268caef1e41cd3 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?=E2=80=98topepo=E2=80=99?= Date: Sat, 22 Mar 2025 14:32:49 -0400 Subject: [PATCH 06/37] accommodations for qualitative tuning parameters --- R/gp_helpers.R | 38 +++++++++++++++++++++----------------- 1 file changed, 21 insertions(+), 17 deletions(-) diff --git a/R/gp_helpers.R b/R/gp_helpers.R index 3834873d..68a6b5d7 100644 --- a/R/gp_helpers.R +++ b/R/gp_helpers.R @@ -42,7 +42,7 @@ make_kernel <- function(pset, lvls) { for (i in seq_along(qual_ind)) { kern_count <- kern_count + 1 - kernels[[kern_count]] <- k_FactorKernel( + kernels[[kern_count]] <- GauPro::k_FactorKernel( D = 1, xindex = qual_ind[i], nlevels = length(lvls[[1]]) @@ -92,10 +92,10 @@ partial_encode <- function(dat, pset) { ) # Replace with the original data when qualitative parameters - # TODO make these scaled + # GauPro::gpkm can take factor encodings to work for (i in seq_along(qual_info)) { nm <- names(qual_info)[i] - normalized[[nm]] <- dat[[nm]] + normalized[[nm]] <- factor(dat[[nm]], levels = qual_info[[i]]) } if (any(names(dat) == "mean")) { normalized$.outcome <- dat$mean @@ -204,7 +204,7 @@ fit_gp_new <- function( fit = gp_fit, use = new_check$use, rsq = new_check$rsq, - tr = as.matrix(normalized) + tr = normalized ) } @@ -223,7 +223,7 @@ pred_gp_new <- function(object, pset, size = 5000, current = NULL, control) { x_old <- object$tr x_old <- x_old[, names(x)] - keep_ind <- dissim_sample(x_old, x, max_n = Inf) + keep_ind <- dissim_sample(x_old, x, pset, max_n = Inf) candidates <- candidates[keep_ind, ] %>% dplyr::mutate(.mean = NA_real_, .sd = NA_real_) @@ -294,19 +294,23 @@ pick_candidate_new <- function(results, info, control) { results } -dissim_sample <- function(ref_data, candidates, max_n = Inf) { - # assumes both sets are normalized in the same way - if (!is.matrix(ref_data)) { - ref_data <- as.matrix(ref_data) - } - - if (!is.matrix(candidates)) { - candidates <- as.matrix(candidates) - } +dissim_sample <- function(ref_data, candidates, pset, max_n = Inf) { + max_n <- min(max_n, nrow(candidates)) + candidates <- candidates[1:max_n, , drop = FALSE] + all_data <- dplyr::bind_rows(ref_data, candidates) + + # Deal with any qualitative predictors by casting them to c(0,1) + qual_info <- find_qual_param(pset) + if (length(qual_info) > 0) { + for (i in seq_along(qual_info)) { + nm <- names(qual_info)[i] + uniq <- sort(unique(all_data[[nm]])) + all_data[[nm]] <- as.character(all_data[[nm]]) + all_data[[nm]] <- factor(all_data[[nm]], levels = uniq) + } + } + all_data <- stats::model.matrix(~ . + 0, data = all_data) - max_n <- min(max_n, nrow(candidates)) - candidates <- candidates[1:max_n, , drop = FALSE] - all_data <- rbind(ref_data, candidates) n_ref <- nrow(ref_data) n_all <- nrow(all_data) distances <- stats::dist(all_data) From 86226bdd466ee9d90689b62cbb7ebb1b085f0a2c Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?=E2=80=98topepo=E2=80=99?= Date: Sat, 22 Mar 2025 14:37:18 -0400 Subject: [PATCH 07/37] note about left-over warnings --- R/gp_helpers.R | 6 ++++++ 1 file changed, 6 insertions(+) diff --git a/R/gp_helpers.R b/R/gp_helpers.R index 68a6b5d7..487e9c19 100644 --- a/R/gp_helpers.R +++ b/R/gp_helpers.R @@ -105,6 +105,12 @@ partial_encode <- function(dat, pset) { # ------------------------------------------------------------------------------ +# TODO not catching warnings such as +# Warning messages: +# 1: In self$pred_one_matrix(XX = XX, se.fit = se.fit, covmat = covmat, : +# Too small s2 predictions are being set to 4.2948089596254e-08 (2908 values, min=-30.8111711641092). +# 2: covmat is not being altered. + fit_gp_new <- function( dat, pset, From 7699de2744fd88ce270ff122fe6c948da909f249 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?=E2=80=98topepo=E2=80=99?= Date: Sat, 22 Mar 2025 22:26:28 -0400 Subject: [PATCH 08/37] add some notes --- R/gp_helpers.R | 1 + R/tune_bayes.R | 1 + 2 files changed, 2 insertions(+) diff --git a/R/gp_helpers.R b/R/gp_helpers.R index 487e9c19..10238f6b 100644 --- a/R/gp_helpers.R +++ b/R/gp_helpers.R @@ -158,6 +158,7 @@ fit_gp_new <- function( } } + # TODO use better handler to avoid warnings if (is.null(previous)) { withr::with_seed( 114, diff --git a/R/tune_bayes.R b/R/tune_bayes.R index e97901b3..66137278 100644 --- a/R/tune_bayes.R +++ b/R/tune_bayes.R @@ -730,6 +730,7 @@ initial_info <- function(stats, metrics, maximize, eval_time) { dplyr::filter(.metric == metrics) %>% dplyr::filter(!is.na(mean)) + # TODO a lot of slice_min/slice_max can be used now if (maximize) { best_res <- best_res %>% From aaff649dfea18be3d0817f5bc598818bf496cf94 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?=E2=80=98topepo=E2=80=99?= Date: Tue, 22 Apr 2025 20:47:24 -0400 Subject: [PATCH 09/37] small updates --- R/gp_helpers.R | 5 +++-- tests/testthat/test-bayes.R | 10 +++++----- 2 files changed, 8 insertions(+), 7 deletions(-) diff --git a/R/gp_helpers.R b/R/gp_helpers.R index 10238f6b..a4ee6587 100644 --- a/R/gp_helpers.R +++ b/R/gp_helpers.R @@ -1,7 +1,7 @@ # Determine any qualitative parameters and their ranges find_qual_param <- function(pset) { - is_qual <- map_lgl(pset$object, ~inherits(.x, "qual_param")) + is_qual <- purrr::map_lgl(pset$object, ~inherits(.x, "qual_param")) if (!any(is_qual)) { return(list()) } @@ -158,7 +158,8 @@ fit_gp_new <- function( } } - # TODO use better handler to avoid warnings + # TODO use better handler to avoid warnings, use log_catalog to send to notes + # TODO pass `...` here? if (is.null(previous)) { withr::with_seed( 114, diff --git a/tests/testthat/test-bayes.R b/tests/testthat/test-bayes.R index e334901f..6b4bbddb 100644 --- a/tests/testthat/test-bayes.R +++ b/tests/testthat/test-bayes.R @@ -46,10 +46,10 @@ test_that("tune recipe only", { num_comp <- res_workflow$pre$actions$recipe$recipe$steps[[2]]$num_comp expect_equal(unique(res$id), folds$id) - expect_equal(nrow(res_est), iterT * 2) - expect_equal(sum(res_est$.metric == "rmse"), iterT) - expect_equal(sum(res_est$.metric == "rsq"), iterT) - expect_equal(dplyr::n_distinct(res_est$.config), iterT) + expect_equal(nrow(res_est), iterT * 2) # TODO FAIL + expect_equal(sum(res_est$.metric == "rmse"), iterT) # TODO FAIL + expect_equal(sum(res_est$.metric == "rsq"), iterT) # TODO FAIL + expect_equal(dplyr::n_distinct(res_est$.config), iterT) # TODO FAIL etc expect_equal(res_est$n, rep(10, iterT * 2)) expect_false(identical(num_comp, expr(tune()))) expect_true(res_workflow$trained) @@ -169,7 +169,7 @@ test_that("tune model only (with variables)", { res_est <- collect_metrics(res) - expect_equal(nrow(res_est), iterT * 2) + expect_equal(nrow(res_est), iterT * 2) # TODO FAIL etc expect_equal(sum(res_est$.metric == "rmse"), iterT) expect_equal(sum(res_est$.metric == "rsq"), iterT) expect_equal(dplyr::n_distinct(res_est$.config), iterT) From 911afb5bc75931522477efe69dedf147830118d4 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?=E2=80=98topepo=E2=80=99?= Date: Thu, 1 May 2025 17:35:32 -0400 Subject: [PATCH 10/37] switch gp packages --- DESCRIPTION | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/DESCRIPTION b/DESCRIPTION index 04e16da1..fecb1806 100644 --- a/DESCRIPTION +++ b/DESCRIPTION @@ -26,7 +26,7 @@ Imports: generics (>= 0.1.2), ggplot2, glue (>= 1.6.2), - GPfit, + GauPro (>= 0.2.15), hardhat (>= 1.4.0.9002), lifecycle (>= 1.0.0), parsnip (>= 1.2.1.9003), From 8eed207b5261fa2a1ab1f9849c9f86763cef1622 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?=E2=80=98topepo=E2=80=99?= Date: Thu, 1 May 2025 17:35:46 -0400 Subject: [PATCH 11/37] global variable from mutate --- R/0_imports.R | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/R/0_imports.R b/R/0_imports.R index 21a2c136..10302827 100644 --- a/R/0_imports.R +++ b/R/0_imports.R @@ -48,7 +48,7 @@ utils::globalVariables( ".pred_survival", ".pred_time", ".weight_censored", "nice_time", "time_metric", ".lower", ".upper", "i", "results", "term", ".alpha", ".method", "old_term", ".lab_pre", ".model", ".num_models", "model_stage", - "predict_stage" + "predict_stage", "se" ) ) From 3dfc61e701d44ceb4745e6be86ee6874608de623 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?=E2=80=98topepo=E2=80=99?= Date: Thu, 1 May 2025 17:36:14 -0400 Subject: [PATCH 12/37] notes and remove old functions --- R/gp_helpers.R | 12 ++--- R/tune_bayes.R | 137 +++++++++++-------------------------------------- 2 files changed, 34 insertions(+), 115 deletions(-) diff --git a/R/gp_helpers.R b/R/gp_helpers.R index a4ee6587..e4ec2cb6 100644 --- a/R/gp_helpers.R +++ b/R/gp_helpers.R @@ -62,9 +62,7 @@ make_kernel <- function(pset, lvls) { check_gp <- function(x) { model_fail <- inherits(x, "try-error") if (!model_fail) { - # withr::set seed loo_res <- summary(x) - # TODO maybe capture these? loo_bad <- loo_res$coverage95LOO < 0.1 loo_rsq <- loo_res$r.squaredLOO } else { @@ -111,7 +109,7 @@ partial_encode <- function(dat, pset) { # Too small s2 predictions are being set to 4.2948089596254e-08 (2908 values, min=-30.8111711641092). # 2: covmat is not being altered. -fit_gp_new <- function( +fit_gp <- function( dat, pset, metric, @@ -127,7 +125,7 @@ fit_gp_new <- function( } dat <- dat %>% - # check_gp_data() %>% + check_gp_data() %>% dplyr::select(dplyr::all_of(pset$id), mean) qual_info <- find_qual_param(pset) @@ -218,7 +216,7 @@ fit_gp_new <- function( # ------------------------------------------------------------------------------ -pred_gp_new <- function(object, pset, size = 5000, current = NULL, control) { +pred_gp <- function(object, pset, size = 5000, current = NULL, control) { candidates <- dials::grid_space_filling( pset, size = size, @@ -282,8 +280,8 @@ pred_gp_new <- function(object, pset, size = 5000, current = NULL, control) { dplyr::bind_cols(candidates, gp_pred) } -# TODO add pg obj here -pick_candidate_new <- function(results, info, control) { +# TODO add gp obj here +pick_candidate <- function(results, info, control) { bad_gp <- all(is.na(results$.mean)) if (!bad_gp & info$uncertainty < control$uncertain) { results <- results %>% diff --git a/R/tune_bayes.R b/R/tune_bayes.R index 66137278..0366c416 100644 --- a/R/tune_bayes.R +++ b/R/tune_bayes.R @@ -265,6 +265,28 @@ tune_bayes.workflow <- res } +## TODOs from testing + +# These lines are missing: +# - i Gaussian process model +# - ! The Gaussian process model is being fit using 1 features but only has 2 +# - data points to do so. This may cause errors or a poor model fit. +# - v Gaussian process model +# - i Generating 3 candidates +# - i Predicted candidates + +# Some failures are not being caught (or ignored); see "missing performance +# values" test +# - ! Gaussian process model: no non-missing arguments to min; returning Inf, no non-missing arguments... +# - x Gaussian process model: Error in seq_len(n - 1L): argument must be coercible to non-negative int... + +# - Error in `check_gp_failure()`: +# + Error in `apply()`: +# - ! Gaussian process model was not fit. +# + ! dim(X) must have a positive length + + + tune_bayes_workflow <- function(object, resamples, iter = 10, @@ -386,7 +408,7 @@ tune_bayes_workflow <- function(object, # Maybe remove .catch_and_log() here and do catching inside fintion set.seed(control$seed[1] + i) - gp_mod <- fit_gp_new( + gp_mod <- fit_gp( mean_stats %>% dplyr::select(-.iter), pset = param_info, metric = opt_metric_name, @@ -401,7 +423,7 @@ tune_bayes_workflow <- function(object, set.seed(control$seed[1] + i + 1) candidates <- - pred_gp_new( + pred_gp( gp_mod, param_info, control = control, current = mean_stats %>% dplyr::select(dplyr::all_of(param_info$id)) @@ -428,11 +450,12 @@ tune_bayes_workflow <- function(object, save_gp_results(gp_mod, param_info, control, i, iter, candidates, score_card) - # candidates <- pick_candidate_new(candidates, score_card, control) + candidates <- pick_candidate(candidates, score_card, control) - candidates <- candidates %>% - dplyr::arrange(dplyr::desc(objective)) %>% - dplyr::slice(1) + # These were temp used to replace pick_candidate() + # candidates <- candidates %>% + # dplyr::arrange(dplyr::desc(objective)) %>% + # dplyr::slice(1) if (score_card$uncertainty >= control$uncertain) { score_card$uncertainty <- -1 # is updated in update_score_card() below @@ -583,108 +606,6 @@ encode_set <- function(x, pset, ..., as_matrix = FALSE) { x } -fit_gp <- function(dat, pset, metric, eval_time = NULL, control, ...) { - dat <- dat %>% dplyr::filter(.metric == metric) - - if (!is.null(eval_time)) { - dat <- dat %>% dplyr::filter(.eval_time == eval_time) - } - - dat <- dat %>% - check_gp_data() %>% - dplyr::select(dplyr::all_of(pset$id), mean) - - x <- encode_set(dat %>% dplyr::select(-mean), pset, as_matrix = TRUE) - - if (nrow(x) <= ncol(x) + 1 && nrow(x) > 0) { - msg <- - paste( - "The Gaussian process model is being fit using ", ncol(x), - "features but only has", nrow(x), "data points to do so. This may cause", - "errors or a poor model fit." - ) - message_wrap(msg, prefix = "!", color_text = get_tune_colors()$message$warning) - } - - opts <- list(...) - - withCallingHandlers({ - if (any(names(opts) == "trace") && opts$trace) { - gp_fit <- GPfit::GP_fit(X = x, Y = dat$mean, ...) - } else { - tmp_output <- utils::capture.output( - gp_fit <- GPfit::GP_fit(X = x, Y = dat$mean, ...) - ) - }}, - warning = function(w) { - if (w$message == "X should be in range (0, 1)") { - rlang::cnd_muffle(w) - } - } - ) - - gp_fit -} - -pred_gp <- function(object, pset, size = 5000, current = NULL, control) { - pred_grid <- - dials::grid_space_filling(pset, size = size, type = "latin_hypercube") %>% - dplyr::distinct() - - if (!is.null(current)) { - pred_grid <- - pred_grid %>% - dplyr::anti_join(current, by = pset$id) - } - - if (inherits(object, "try-error") | nrow(pred_grid) == 0) { - if (nrow(pred_grid) == 0) { - msg <- "No remaining candidate models" - } else { - msg <- "An error occurred when creating candidates parameters: " - msg <- paste(msg, as.character(object)) - } - tune_log(control, split_labels = NULL, task = msg, type = "warning") - return(pred_grid %>% dplyr::mutate(.mean = NA_real_, .sd = NA_real_)) - } - - tune_log( - control, - split_labels = NULL, - task = paste("Generating", nrow(pred_grid), "candidates"), - type = "info", - catalog = FALSE - ) - - x <- encode_set(pred_grid, pset, as_matrix = TRUE) - gp_pred <- predict(object, x) - - tune_log(control, split_labels = NULL, task = "Predicted candidates", type = "info", catalog = FALSE) - - pred_grid %>% - dplyr::mutate(.mean = gp_pred$Y_hat, .sd = sqrt(gp_pred$MSE)) -} - - -pick_candidate <- function(results, info, control) { - if (info$uncertainty < control$uncertain) { - results <- results %>% - dplyr::arrange(dplyr::desc(objective)) %>% - dplyr::slice(1) - } else { - if (control$verbose_iter) { - msg <- paste(blue(cli::symbol$circle_question_mark), "Uncertainty sample") - message(msg) - } - results <- - results %>% - dplyr::arrange(dplyr::desc(.sd)) %>% - dplyr::slice(1:floor(.1 * nrow(results))) %>% - dplyr::sample_n(1) - } - results -} - update_score_card <- function(info, iter, results, control) { current_val <- results %>% From 1dff5a2b0281c7e64b7a8629da92b1498b1ac551 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?=E2=80=98topepo=E2=80=99?= Date: Wed, 15 Oct 2025 15:02:20 -0400 Subject: [PATCH 13/37] add GauPro --- DESCRIPTION | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/DESCRIPTION b/DESCRIPTION index cd0fc9c5..9e957d8e 100644 --- a/DESCRIPTION +++ b/DESCRIPTION @@ -24,7 +24,7 @@ Imports: generics (>= 0.1.2), ggplot2, glue (>= 1.6.2), - GPfit, + GauPro (>= 0.2.15), hardhat (>= 1.4.2), parallel, parsnip (>= 1.2.1.9003), From 1f92a1e2fef5be541b178a7df9aa141f46cb963f Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?=E2=80=98topepo=E2=80=99?= Date: Wed, 15 Oct 2025 15:04:19 -0400 Subject: [PATCH 14/37] more updates --- R/gp_helpers.R | 17 ++++++++++++++--- R/tune_bayes.R | 2 +- 2 files changed, 15 insertions(+), 4 deletions(-) diff --git a/R/gp_helpers.R b/R/gp_helpers.R index e4ec2cb6..8d10cfef 100644 --- a/R/gp_helpers.R +++ b/R/gp_helpers.R @@ -118,6 +118,8 @@ fit_gp <- function( previous = NULL, ... ) { + # TODO check dots for options; no longer used; update docs + dat <- dat %>% dplyr::filter(.metric == metric) if (!is.null(eval_time)) { @@ -175,6 +177,7 @@ fit_gp <- function( ) ) } else { + # TODO we should remove the updating; not a great idea new_val <- normalized %>% dplyr::slice_tail(n = 1) new_x <- as.matrix(new_val[, pset$id]) new_y <- new_val$.outcome @@ -275,12 +278,13 @@ pred_gp <- function(object, pset, size = 5000, current = NULL, control) { ) gp_pred <- object$fit$pred(x, se.fit = TRUE) + gp_pred <- tibble::as_tibble(gp_pred) %>% dplyr::select(.mean = mean, .sd = se) dplyr::bind_cols(candidates, gp_pred) } -# TODO add gp obj here + pick_candidate <- function(results, info, control) { bad_gp <- all(is.na(results$.mean)) if (!bad_gp & info$uncertainty < control$uncertain) { @@ -289,8 +293,15 @@ pick_candidate <- function(results, info, control) { dplyr::slice(1) } else { if (control$verbose_iter) { - msg <- paste(blue(cli::symbol$circle_question_mark), "Uncertainty sample") - message(msg) + # msg <- paste(blue(cli::symbol$circle_question_mark), "Uncertainty sample") + # message(msg) + tune_log( + control, + split_labels = NULL, + task = "Uncertainty sample", + type = "info", + catalog = FALSE + ) } results <- results %>% dplyr::arrange(dplyr::desc(.sd)) %>% diff --git a/R/tune_bayes.R b/R/tune_bayes.R index 02c55c3e..71567b10 100644 --- a/R/tune_bayes.R +++ b/R/tune_bayes.R @@ -433,7 +433,7 @@ tune_bayes_workflow <- function( check_time(start_time, control$time_limit) - # Maybe remove .catch_and_log() here and do catching inside fintion + # Maybe remove .catch_and_log() here and do catching inside function set.seed(control$seed[1] + i) gp_mod <- fit_gp( From 0808c18b2817d1b420d6fa16740999e24caec507 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?=E2=80=98topepo=E2=80=99?= Date: Wed, 15 Oct 2025 17:26:33 -0400 Subject: [PATCH 15/37] remove old functions --- R/tune_bayes.R | 98 -------------------------------------------------- 1 file changed, 98 deletions(-) diff --git a/R/tune_bayes.R b/R/tune_bayes.R index 71567b10..e9493e68 100644 --- a/R/tune_bayes.R +++ b/R/tune_bayes.R @@ -686,104 +686,6 @@ encode_set <- function(x, pset, ..., as_matrix = FALSE) { x } -fit_gp <- function(dat, pset, metric, eval_time = NULL, control, ...) { - dat <- dat |> dplyr::filter(.metric == metric) - - if (!is.null(eval_time)) { - dat <- dat |> dplyr::filter(.eval_time == eval_time) - } - - dat <- dat |> - check_gp_data() |> - dplyr::select(dplyr::all_of(pset$id), mean) - - x <- encode_set(dat |> dplyr::select(-mean), pset, as_matrix = TRUE) - - if (nrow(x) <= ncol(x) + 1 && nrow(x) > 0) { - msg <- - paste( - "The Gaussian process model is being fit using ", - ncol(x), - "features but only has", - nrow(x), - "data points to do so. This may cause", - "errors or a poor model fit." - ) - message_wrap( - msg, - prefix = "!", - color_text = get_tune_colors()$message$warning - ) - } - - opts <- list(...) - - withCallingHandlers( - { - if (any(names(opts) == "trace") && opts$trace) { - gp_fit <- GPfit::GP_fit(X = x, Y = dat$mean, ...) - } else { - tmp_output <- utils::capture.output( - gp_fit <- GPfit::GP_fit(X = x, Y = dat$mean, ...) - ) - } - }, - warning = function(w) { - if (w$message == "X should be in range (0, 1)") { - rlang::cnd_muffle(w) - } - } - ) - - gp_fit -} - -pred_gp <- function(object, pset, size = 5000, current = NULL, control) { - pred_grid <- - dials::grid_space_filling(pset, size = size, type = "latin_hypercube") |> - dplyr::distinct() - - if (!is.null(current)) { - pred_grid <- - pred_grid |> - dplyr::anti_join(current, by = pset$id) - } - - if (inherits(object, "try-error") | nrow(pred_grid) == 0) { - if (nrow(pred_grid) == 0) { - msg <- "No remaining candidate models" - } else { - msg <- "An error occurred when creating candidates parameters: " - msg <- paste(msg, as.character(object)) - } - update_printer(control, split_labels = NULL, task = msg, type = "warning") - return(pred_grid |> dplyr::mutate(.mean = NA_real_, .sd = NA_real_)) - } - - update_printer( - control, - split_labels = NULL, - task = paste("Generating", nrow(pred_grid), "candidates"), - type = "info", - catalog = FALSE - ) - - x <- encode_set(pred_grid, pset, as_matrix = TRUE) - gp_pred <- predict(object, x) - - update_printer( - control, - split_labels = NULL, - task = "Predicted candidates", - type = "info", - catalog = FALSE - ) - - pred_grid |> - dplyr::mutate(.mean = gp_pred$Y_hat, .sd = sqrt(gp_pred$MSE)) -} - - pick_candidate <- function(results, info, control) { if (info$uncertainty < control$uncertain) { results <- results |> From 83c39592e5b39bf1730bfad78d8058ef30c88580 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?=E2=80=98topepo=E2=80=99?= Date: Wed, 15 Oct 2025 17:27:05 -0400 Subject: [PATCH 16/37] air format --- R/gp_helpers.R | 520 ++++++++++++++++++++++++------------------------- 1 file changed, 254 insertions(+), 266 deletions(-) diff --git a/R/gp_helpers.R b/R/gp_helpers.R index 8d10cfef..a2907139 100644 --- a/R/gp_helpers.R +++ b/R/gp_helpers.R @@ -1,16 +1,16 @@ # Determine any qualitative parameters and their ranges find_qual_param <- function(pset) { - is_qual <- purrr::map_lgl(pset$object, ~inherits(.x, "qual_param")) - if (!any(is_qual)) { - return(list()) - } + is_qual <- purrr::map_lgl(pset$object, ~ inherits(.x, "qual_param")) + if (!any(is_qual)) { + return(list()) + } - pset <- pset[is_qual, ] + pset <- pset[is_qual, ] - possible_lvl <- purrr::map(pset$object, ~.x$values) - names(possible_lvl) <- pset$id - possible_lvl + possible_lvl <- purrr::map(pset$object, ~ .x$values) + names(possible_lvl) <- pset$id + possible_lvl } # Leave as-is but scale the others; order by parameter id in pset @@ -19,86 +19,86 @@ find_qual_param <- function(pset) { # Add a new kernel for each qualitative parameter make_kernel <- function(pset, lvls) { - qual_ind <- which(pset$id %in% names(lvls)) - quant_ind <- setdiff(seq_along(pset$id), qual_ind) - quant_avail <- length(quant_ind) > 0 - - if (length(qual_ind) == 0) { - return(GauPro::k_Matern32(D = length(quant_ind))) - } - - num_kernels <- length(qual_ind) + quant_avail - - kernels <- vector(mode = "list", length = num_kernels) - kern_count <- 0 - - if (quant_avail) { - kernels[[1]] <- GauPro::k_IgnoreIndsKernel( - k = GauPro::k_Matern32(D = length(quant_ind)), - ignoreinds = qual_ind - ) - kern_count <- 1 - } - - for (i in seq_along(qual_ind)) { - kern_count <- kern_count + 1 - kernels[[kern_count]] <- GauPro::k_FactorKernel( - D = 1, - xindex = qual_ind[i], - nlevels = length(lvls[[1]]) - ) - } - - for (i in 1:num_kernels) { - if (i == 1) { - res <- kernels[[1]] - } else { - res <- res * kernels[[i]] - } - } - res + qual_ind <- which(pset$id %in% names(lvls)) + quant_ind <- setdiff(seq_along(pset$id), qual_ind) + quant_avail <- length(quant_ind) > 0 + + if (length(qual_ind) == 0) { + return(GauPro::k_Matern32(D = length(quant_ind))) + } + + num_kernels <- length(qual_ind) + quant_avail + + kernels <- vector(mode = "list", length = num_kernels) + kern_count <- 0 + + if (quant_avail) { + kernels[[1]] <- GauPro::k_IgnoreIndsKernel( + k = GauPro::k_Matern32(D = length(quant_ind)), + ignoreinds = qual_ind + ) + kern_count <- 1 + } + + for (i in seq_along(qual_ind)) { + kern_count <- kern_count + 1 + kernels[[kern_count]] <- GauPro::k_FactorKernel( + D = 1, + xindex = qual_ind[i], + nlevels = length(lvls[[1]]) + ) + } + + for (i in 1:num_kernels) { + if (i == 1) { + res <- kernels[[1]] + } else { + res <- res * kernels[[i]] + } + } + res } check_gp <- function(x) { - model_fail <- inherits(x, "try-error") - if (!model_fail) { - loo_res <- summary(x) - loo_bad <- loo_res$coverage95LOO < 0.1 - loo_rsq <- loo_res$r.squaredLOO - } else { - loo_bad <- TRUE - loo_rsq <- 0.0 - } - # convergence? - list(use = !loo_bad & !model_fail & loo_rsq > 0.1, rsq = loo_rsq) + model_fail <- inherits(x, "try-error") + if (!model_fail) { + loo_res <- summary(x) + loo_bad <- loo_res$coverage95LOO < 0.1 + loo_rsq <- loo_res$r.squaredLOO + } else { + loo_bad <- TRUE + loo_rsq <- 0.0 + } + # convergence? + list(use = !loo_bad & !model_fail & loo_rsq > 0.1, rsq = loo_rsq) } # encode_set() was created to work on all types of tuning parameters; usage of # GauPro means that we should not encode qualitative tuning parameters so we # need a wrapper partial_encode <- function(dat, pset) { - qual_info <- find_qual_param(pset) - - if (any(names(dat) == "mean")) { - outcomes <- dat$mean - } - - normalized <- encode_set( - dat %>% dplyr::select(dplyr::all_of(pset$id)), - pset = pset, - as_matrix = FALSE - ) - - # Replace with the original data when qualitative parameters - # GauPro::gpkm can take factor encodings to work - for (i in seq_along(qual_info)) { - nm <- names(qual_info)[i] - normalized[[nm]] <- factor(dat[[nm]], levels = qual_info[[i]]) - } - if (any(names(dat) == "mean")) { - normalized$.outcome <- dat$mean - } - normalized + qual_info <- find_qual_param(pset) + + if (any(names(dat) == "mean")) { + outcomes <- dat$mean + } + + normalized <- encode_set( + dat %>% dplyr::select(dplyr::all_of(pset$id)), + pset = pset, + as_matrix = FALSE + ) + + # Replace with the original data when qualitative parameters + # GauPro::gpkm can take factor encodings to work + for (i in seq_along(qual_info)) { + nm <- names(qual_info)[i] + normalized[[nm]] <- factor(dat[[nm]], levels = qual_info[[i]]) + } + if (any(names(dat) == "mean")) { + normalized$.outcome <- dat$mean + } + normalized } # ------------------------------------------------------------------------------ @@ -110,205 +110,193 @@ partial_encode <- function(dat, pset) { # 2: covmat is not being altered. fit_gp <- function( - dat, - pset, - metric, - eval_time = NULL, - control, - previous = NULL, - ... + dat, + pset, + metric, + eval_time = NULL, + control, + previous = NULL, + ... ) { # TODO check dots for options; no longer used; update docs - dat <- dat %>% dplyr::filter(.metric == metric) + dat <- dat %>% dplyr::filter(.metric == metric) - if (!is.null(eval_time)) { - dat <- dat %>% dplyr::filter(.eval_time == eval_time) - } - - dat <- dat %>% - check_gp_data() %>% - dplyr::select(dplyr::all_of(pset$id), mean) + if (!is.null(eval_time)) { + dat <- dat %>% dplyr::filter(.eval_time == eval_time) + } - qual_info <- find_qual_param(pset) - num_pred <- nrow(pset) - num_cand <- nrow(dat) + dat <- dat %>% + check_gp_data() %>% + dplyr::select(dplyr::all_of(pset$id), mean) + qual_info <- find_qual_param(pset) + num_pred <- nrow(pset) + num_cand <- nrow(dat) - normalized <- partial_encode(dat, pset) + normalized <- partial_encode(dat, pset) - gp_kernel <- make_kernel(pset, qual_info) + gp_kernel <- make_kernel(pset, qual_info) - if (num_cand <= num_pred && num_cand > 0 & control$verbose_iter) { - msg <- cli::format_inline( - "The Gaussian process model is being fit using {num_pred} feature{?s} but + if (num_cand <= num_pred && num_cand > 0 & control$verbose_iter) { + msg <- cli::format_inline( + "The Gaussian process model is being fit using {num_pred} feature{?s} but only has {num_cand} data point{?s} to do so. This may cause errors or a poor model fit." - ) - message_wrap( - msg, - prefix = "!", - color_text = get_tune_colors()$message$warning - ) - } - - if (!is.null(previous)) { - if (!previous$use) { - previous <- NULL - } - } - - # TODO use better handler to avoid warnings, use log_catalog to send to notes - # TODO pass `...` here? - if (is.null(previous)) { - withr::with_seed( - 114, - gp_fit <- try( - GauPro::gpkm( - .outcome ~ ., - data = normalized, - kernel = gp_kernel, - verbose = 0, - restarts = 5, - nug.est = FALSE, - parallel = FALSE - ), - silent = TRUE - ) - ) - } else { - # TODO we should remove the updating; not a great idea - new_val <- normalized %>% dplyr::slice_tail(n = 1) - new_x <- as.matrix(new_val[, pset$id]) - new_y <- new_val$.outcome - - withr::with_seed( - 114, - gp_fit <- try(previous$fit$update(new_x, new_y), silent = TRUE) - ) - } - - new_check <- check_gp(gp_fit) - - if (control$verbose_iter) { - if (new_check$use) { - msg <- cli::format_inline( - "Gaussian process model (LOO R^2: {round(new_check$rsq * 100)}%)" - ) - message_wrap( - msg, - prefix = cli::symbol$tick, - color_text = get_tune_colors()$message$success - ) - } else { - message_wrap( - "Gaussian process model failed", - prefix = cli::symbol$tick, - color_text = get_tune_colors()$message$danger - ) - } - } - - list( - fit = gp_fit, - use = new_check$use, - rsq = new_check$rsq, - tr = normalized - ) + ) + message_wrap( + msg, + prefix = "!", + color_text = get_tune_colors()$message$warning + ) + } + + if (!is.null(previous)) { + if (!previous$use) { + previous <- NULL + } + } + + # TODO use better handler to avoid warnings, use log_catalog to send to notes + # TODO pass `...` here? + if (is.null(previous)) { + withr::with_seed( + 114, + gp_fit <- try( + GauPro::gpkm( + .outcome ~ ., + data = normalized, + kernel = gp_kernel, + verbose = 0, + restarts = 5, + nug.est = FALSE, + parallel = FALSE + ), + silent = TRUE + ) + ) + } else { + # TODO we should remove the updating; not a great idea + new_val <- normalized %>% dplyr::slice_tail(n = 1) + new_x <- as.matrix(new_val[, pset$id]) + new_y <- new_val$.outcome + + withr::with_seed( + 114, + gp_fit <- try(previous$fit$update(new_x, new_y), silent = TRUE) + ) + } + + new_check <- check_gp(gp_fit) + + if (control$verbose_iter) { + if (new_check$use) { + msg <- cli::format_inline( + "Gaussian process model (LOO R\u00B2: {round(new_check$rsq * 100, 1)}%)" + ) + message_wrap( + msg, + prefix = cli::symbol$tick, + color_text = get_tune_colors()$message$success + ) + } else { + message_wrap( + "Gaussian process model failed", + prefix = cli::symbol$tick, + color_text = get_tune_colors()$message$danger + ) + } + } + + list( + fit = gp_fit, + use = new_check$use, + rsq = new_check$rsq, + tr = normalized + ) } # ------------------------------------------------------------------------------ pred_gp <- function(object, pset, size = 5000, current = NULL, control) { - candidates <- dials::grid_space_filling( - pset, - size = size, - type = "latin_hypercube" - ) %>% - dplyr::distinct() - - if (!object$use) { - x <- partial_encode(candidates, pset) - x_old <- object$tr - x_old <- x_old[, names(x)] - - keep_ind <- dissim_sample(x_old, x, pset, max_n = Inf) - candidates <- candidates[keep_ind, ] %>% - dplyr::mutate(.mean = NA_real_, .sd = NA_real_) - - msg <- cli::format_inline( - "Generating a candidate as far away from existing points as possible." - ) - tune_log(control, split_labels = NULL, task = msg, type = "warning") - - return(candidates) - } else { - tune_log( - control, - split_labels = NULL, - task = paste("Generating", nrow(candidates), "candidates"), - type = "info", - catalog = FALSE - ) - } - - if (!is.null(current)) { - candidates <- candidates %>% - dplyr::anti_join(current, by = pset$id) - } - - if (nrow(candidates) == 0) { - tune_log( - control, - split_labels = NULL, - task = "No remaining candidate models", - type = "warning" - ) - return(candidates %>% dplyr::mutate(.mean = NA_real_, .sd = NA_real_)) - } - - x <- partial_encode(candidates, pset) - - tune_log( - control, - split_labels = NULL, - task = "Predicted candidates", - type = "info", - catalog = FALSE - ) - - gp_pred <- object$fit$pred(x, se.fit = TRUE) - - gp_pred <- tibble::as_tibble(gp_pred) %>% - dplyr::select(.mean = mean, .sd = se) - dplyr::bind_cols(candidates, gp_pred) + candidates <- dials::grid_space_filling( + pset, + size = size, + type = "latin_hypercube" + ) %>% + dplyr::distinct() + + if (!object$use) { + x <- partial_encode(candidates, pset) + x_old <- object$tr + x_old <- x_old[, names(x)] + + keep_ind <- dissim_sample(x_old, x, pset, max_n = Inf) + candidates <- candidates[keep_ind, ] %>% + dplyr::mutate(.mean = NA_real_, .sd = NA_real_) + + msg <- cli::format_inline( + "Generating a candidate as far away from existing points as possible." + ) + message_wrap( + msg, + prefix = cli::symbol$info, + color_text = get_tune_colors()$message$info + ) + + return(candidates) + } else { + message_wrap( + paste("Generating", nrow(candidates), "candidates"), + prefix = cli::symbol$info, + color_text = get_tune_colors()$message$info + ) + } + + if (!is.null(current)) { + candidates <- candidates %>% + dplyr::anti_join(current, by = pset$id) + } + + if (nrow(candidates) == 0) { + message_wrap( + "No remaining candidate models", + prefix = cli::symbol$tick, + color_text = get_tune_colors()$message$warning + ) + return(candidates %>% dplyr::mutate(.mean = NA_real_, .sd = NA_real_)) + } + + x <- partial_encode(candidates, pset) + + gp_pred <- object$fit$pred(x, se.fit = TRUE) + + gp_pred <- tibble::as_tibble(gp_pred) %>% + dplyr::select(.mean = mean, .sd = se) + dplyr::bind_cols(candidates, gp_pred) } pick_candidate <- function(results, info, control) { - bad_gp <- all(is.na(results$.mean)) - if (!bad_gp & info$uncertainty < control$uncertain) { - results <- results %>% - dplyr::arrange(dplyr::desc(objective)) %>% - dplyr::slice(1) - } else { - if (control$verbose_iter) { - # msg <- paste(blue(cli::symbol$circle_question_mark), "Uncertainty sample") - # message(msg) - tune_log( - control, - split_labels = NULL, - task = "Uncertainty sample", - type = "info", - catalog = FALSE - ) - } - results <- results %>% - dplyr::arrange(dplyr::desc(.sd)) %>% - dplyr::slice(1:floor(.1 * nrow(results))) %>% - dplyr::sample_n(1) - } - results + bad_gp <- all(is.na(results$.mean)) + if (!bad_gp & info$uncertainty < control$uncertain) { + results <- results %>% + dplyr::arrange(dplyr::desc(objective)) %>% + dplyr::slice(1) + } else { + if (control$verbose_iter) { + message_wrap( + "Uncertainty sample", + prefix = cli::symbol$info, + color_text = get_tune_colors()$message$info + ) + } + results <- results %>% + dplyr::arrange(dplyr::desc(.sd)) %>% + dplyr::slice(1:floor(.1 * nrow(results))) %>% + dplyr::sample_n(1) + } + results } dissim_sample <- function(ref_data, candidates, pset, max_n = Inf) { @@ -328,12 +316,12 @@ dissim_sample <- function(ref_data, candidates, pset, max_n = Inf) { } all_data <- stats::model.matrix(~ . + 0, data = all_data) - n_ref <- nrow(ref_data) - n_all <- nrow(all_data) - distances <- stats::dist(all_data) - distances <- as.matrix(distances) - distances <- distances[1:n_ref, (n_ref + 1):n_all] - min_distances <- apply(distances, 2, function(x) min(x[x > 0])) - max_ind <- which.max(min_distances)[1] - max_ind + n_ref <- nrow(ref_data) + n_all <- nrow(all_data) + distances <- stats::dist(all_data) + distances <- as.matrix(distances) + distances <- distances[1:n_ref, (n_ref + 1):n_all] + min_distances <- apply(distances, 2, function(x) min(x[x > 0])) + max_ind <- which.max(min_distances)[1] + max_ind } From 368d7ab47ba01ea0dbfbfa03c2ee11f35d4e73e3 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?=E2=80=98topepo=E2=80=99?= Date: Wed, 15 Oct 2025 22:44:47 -0400 Subject: [PATCH 17/37] simplify note --- R/checks.R | 5 +---- 1 file changed, 1 insertion(+), 4 deletions(-) diff --git a/R/checks.R b/R/checks.R index fb76d712..b9fe5efb 100644 --- a/R/checks.R +++ b/R/checks.R @@ -244,10 +244,7 @@ check_bayes_initial_size <- function(num_param, num_grid, race = FALSE) { c( `!` = "{msg}", `*` = cli::pluralize( - "There are {cli::qty(diff)}{?as many/more} tuning parameters - {cli::qty(diff)}{?as/than} there are initial points. - This is likely to cause numerical issues in the first few - search iterations." + "This is likely to cause numerical issues in the first few search iterations." ) ) From bdb21159426446860c69f58461e9fe9e612d147d Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?=E2=80=98topepo=E2=80=99?= Date: Wed, 15 Oct 2025 22:45:14 -0400 Subject: [PATCH 18/37] write more details; rename some columns names for GP function --- R/gp_helpers.R | 46 ++++++++++++++++++++++++++++++++++++++++++---- 1 file changed, 42 insertions(+), 4 deletions(-) diff --git a/R/gp_helpers.R b/R/gp_helpers.R index a2907139..cc641fc3 100644 --- a/R/gp_helpers.R +++ b/R/gp_helpers.R @@ -61,16 +61,42 @@ make_kernel <- function(pset, lvls) { check_gp <- function(x) { model_fail <- inherits(x, "try-error") + gp_threshold <- 0.1 if (!model_fail) { loo_res <- summary(x) - loo_bad <- loo_res$coverage95LOO < 0.1 + loo_bad <- loo_res$coverage95LOO < gp_threshold loo_rsq <- loo_res$r.squaredLOO } else { loo_bad <- TRUE loo_rsq <- 0.0 } # convergence? - list(use = !loo_bad & !model_fail & loo_rsq > 0.1, rsq = loo_rsq) + if (model_fail) { + message_wrap( + cli::format_inline("GP failed: {as.character(x)}"), + prefix = cli::symbol$checkbox_circle_on, + color_text = get_tune_colors()$message$danger + ) + } else if (loo_rsq < gp_threshold) { + msg <- cli::format_inline( + "GP has a LOO R\u00B2 of {round(loo_rsq * 100, 1)}% and is unreliable." + ) + message_wrap( + msg, + prefix = cli::symbol$checkbox_circle_on, + color_text = get_tune_colors()$message$danger + ) + } else if (loo_bad) { + msg <- cli::format_inline( + "GP has a coverage rate < {round(gp_threshold * 100, 1)}% and is unreliable." + ) + message_wrap( + msg, + prefix = cli::symbol$checkbox_circle_on, + color_text = get_tune_colors()$message$danger + ) + } + list(use = !loo_bad & !model_fail & loo_rsq > gp_threshold, rsq = loo_rsq) } # encode_set() was created to work on all types of tuning parameters; usage of @@ -135,6 +161,11 @@ fit_gp <- function( num_cand <- nrow(dat) normalized <- partial_encode(dat, pset) + # gaupro will look for * or : in names and fail :-( + # change names and change back later + og_names <- colnames(normalized) + gp_names <- make.names(og_names) + colnames(normalized) <- gp_names gp_kernel <- make_kernel(pset, qual_info) @@ -151,6 +182,7 @@ fit_gp <- function( ) } + # TODO get rid of previous if (!is.null(previous)) { if (!previous$use) { previous <- NULL @@ -164,6 +196,8 @@ fit_gp <- function( 114, gp_fit <- try( GauPro::gpkm( + # TODO put in a PR to avoid the error with + # 'Don't use a formula with * or :. Interactions are all included.' .outcome ~ ., data = normalized, kernel = gp_kernel, @@ -228,16 +262,19 @@ pred_gp <- function(object, pset, size = 5000, current = NULL, control) { if (!object$use) { x <- partial_encode(candidates, pset) + colnames(x) <- make.names(colnames(x)) x_old <- object$tr x_old <- x_old[, names(x)] + # Remove existing points + x <- dplyr::anti_join(x, x_old, by = pset$id) + keep_ind <- dissim_sample(x_old, x, pset, max_n = Inf) candidates <- candidates[keep_ind, ] %>% dplyr::mutate(.mean = NA_real_, .sd = NA_real_) - msg <- cli::format_inline( + msg <- "Generating a candidate as far away from existing points as possible." - ) message_wrap( msg, prefix = cli::symbol$info, @@ -268,6 +305,7 @@ pred_gp <- function(object, pset, size = 5000, current = NULL, control) { } x <- partial_encode(candidates, pset) + colnames(x) <- make.names(colnames(x)) gp_pred <- object$fit$pred(x, se.fit = TRUE) From eb087e0fda713c7c1e7826fe472edccbd1cf2848 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?=E2=80=98topepo=E2=80=99?= Date: Wed, 15 Oct 2025 22:58:01 -0400 Subject: [PATCH 19/37] clean up some notes --- R/gp_helpers.R | 12 +----------- 1 file changed, 1 insertion(+), 11 deletions(-) diff --git a/R/gp_helpers.R b/R/gp_helpers.R index cc641fc3..dc594edb 100644 --- a/R/gp_helpers.R +++ b/R/gp_helpers.R @@ -129,12 +129,6 @@ partial_encode <- function(dat, pset) { # ------------------------------------------------------------------------------ -# TODO not catching warnings such as -# Warning messages: -# 1: In self$pred_one_matrix(XX = XX, se.fit = se.fit, covmat = covmat, : -# Too small s2 predictions are being set to 4.2948089596254e-08 (2908 values, min=-30.8111711641092). -# 2: covmat is not being altered. - fit_gp <- function( dat, pset, @@ -144,7 +138,7 @@ fit_gp <- function( previous = NULL, ... ) { - # TODO check dots for options; no longer used; update docs + tune::empty_ellipses(...) dat <- dat %>% dplyr::filter(.metric == metric) @@ -189,15 +183,11 @@ fit_gp <- function( } } - # TODO use better handler to avoid warnings, use log_catalog to send to notes - # TODO pass `...` here? if (is.null(previous)) { withr::with_seed( 114, gp_fit <- try( GauPro::gpkm( - # TODO put in a PR to avoid the error with - # 'Don't use a formula with * or :. Interactions are all included.' .outcome ~ ., data = normalized, kernel = gp_kernel, From ef13682325132900b6d1667ce29cac7a73e91211 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?=E2=80=98topepo=E2=80=99?= Date: Wed, 15 Oct 2025 22:58:07 -0400 Subject: [PATCH 20/37] update news --- NEWS.md | 8 ++++++++ 1 file changed, 8 insertions(+) diff --git a/NEWS.md b/NEWS.md index 215d57e1..30fe1deb 100644 --- a/NEWS.md +++ b/NEWS.md @@ -2,6 +2,14 @@ * Fixed a bug where `int_pctl()` wouldn't work on `last_fit()` outcomes when future parallelism was enabled. (#1099) +## Breaking Changes + +* The Gaussian process model package was changed from \pkg{GPfit} to \pkg{GauPro} because the former is no longer actively maintained. There are some differences: + + - Fit diagnostics are computed and reported. If the fit quality is poor, an "uncertainty sample" that is furthest away from the existing data is used as the new candidate. + - The GP no longer uses binary indicators for qualitative predictors. Instead, a "categorical kernel" is used for those parameter columns. Fewer starting values are required with this change. + - For numeric predictors, the Matern 3/2 kernel is always used. + # tune 2.0.0 ## Changes to `tune_grid()`. From 68720ecb70c0e8de0efa15fc0b78b6d196e35afc Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?=E2=80=98topepo=E2=80=99?= Date: Wed, 15 Oct 2025 22:58:32 -0400 Subject: [PATCH 21/37] recreate test objects with new GP code --- tests/testthat/data/knn_gp.rds | Bin 736 -> 46996 bytes tests/testthat/data/knn_grid.rds | Bin 348 -> 348 bytes tests/testthat/data/knn_results.rds | Bin 32588 -> 32560 bytes tests/testthat/data/knn_set.rds | Bin 584 -> 584 bytes tests/testthat/data/lm_bayes.rds | Bin 23980 -> 25192 bytes tests/testthat/data/lm_resamples.rds | Bin 2880 -> 2880 bytes tests/testthat/data/rcv_results.rds | Bin 51120 -> 52496 bytes tests/testthat/data/surv_boost_tree_res.rds | Bin 9652 -> 9628 bytes tests/testthat/data/svm_reg_results.rds | Bin 48364 -> 48400 bytes tests/testthat/data/svm_results.rds | Bin 37628 -> 37624 bytes tests/testthat/data/test_objects.RData | Bin 76224 -> 77784 bytes 11 files changed, 0 insertions(+), 0 deletions(-) diff --git a/tests/testthat/data/knn_gp.rds 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z@PKH_R>&&jk##V)&sm#O)8RSKcpCYJ^exb2V6s5R&h9Q^f>Im5eb#%zDqU$H<#cNc zJOUjV`j*V>LX3>M#2oWWACtZiQ@VZCib}FMre~3m{?&Jf!3_K9Qm<6))SKz$5Ou4Pp~{(Y9PQG``67TUynPBsZaFpW>p?2^k}`3hDRNST<+s}nvfJ^ z7WoTGQu%BHr1`LP=L}(LBg-aV`R(%ZYj~Z)1ZFcdXk(<`g(2Fn5RXa~5_F_Tkk-n@ z$C#>fG}Unb3bq~6lyy$?{FBI-z39|nHJ|sD`-B&%WN*T#-l+B9> Date: Wed, 15 Oct 2025 22:58:38 -0400 Subject: [PATCH 22/37] update tests --- tests/testthat/_snaps/GP.md | 44 +++++++++ tests/testthat/_snaps/bayes.md | 154 +++++++++++++++++++++----------- tests/testthat/test-GP.R | 158 ++++++++++++++++++++++----------- tests/testthat/test-bayes.R | 44 ++++----- 4 files changed, 268 insertions(+), 132 deletions(-) create mode 100644 tests/testthat/_snaps/GP.md diff --git a/tests/testthat/_snaps/GP.md b/tests/testthat/_snaps/GP.md new file mode 100644 index 00000000..9863eb20 --- /dev/null +++ b/tests/testthat/_snaps/GP.md @@ -0,0 +1,44 @@ +# GP fit - svm - failure + + Code + svm_gp <- tune:::fit_gp(collect_metrics(svm_results), pset = svm_set, metric = "accuracy", + control = control_bayes(verbose = TRUE)) + Message + (x) GP has a LOO R² of -6.1% and is unreliable. + +--- + + Code + svm_scores <- tune:::pred_gp(svm_gp, pset = svm_set, size = 20, current = curr, + control = ctrl) + Message + i Generating a candidate as far away from existing points as possible. + +# GP scoring with failed model + + Code + svm_gp <- tune:::fit_gp(collect_metrics(svm_results), pset = svm_set, metric = "accuracy", + control = ctrl) + Message + (x) GP has a LOO R² of -6.1% and is unreliable. + +--- + + Code + svm_scores <- tune:::pred_gp(svm_gp, pset = svm_set, size = 20, current = curr, + control = ctrl) + Message + i Generating a candidate as far away from existing points as possible. + +# GP fit - knn + + Code + set.seed(1) + knn_scores <- tune:::pred_gp(knn_gp, pset = knn_set, size = 20, current = mutate( + knn_mtr, .iter = 0), control = ctrl) + Message + i Generating 20 candidates + Condition + Warning in `self$pred_one_matrix()`: + Too small s2 predictions are being set to 1.9315003017685e-09 (2 values, min=-0.000957110681268789). covmat is not being altered. + diff --git a/tests/testthat/_snaps/bayes.md b/tests/testthat/_snaps/bayes.md index f6a22f57..c8729238 100644 --- a/tests/testthat/_snaps/bayes.md +++ b/tests/testthat/_snaps/bayes.md @@ -1,5 +1,16 @@ # tune recipe only + Code + set.seed(2) + res <- tune_bayes(wflow, resamples = folds, param_info = pset, initial = iter1, + iter = iter2, control = control) + Message + (x) GP has a LOO R² of 0% and is unreliable. + i Generating a candidate as far away from existing points as possible. + i Generating 15 candidates + +--- + Code tune_bayes(wflow, resamples = folds, param_info = pset, initial = iter1, iter = iter2, control = control_bayes(verbose = TRUE)) @@ -8,11 +19,8 @@ > Generating a set of 2 initial parameter results v Initialization complete - i Gaussian process model - ! The Gaussian process model is being fit using 1 features but only has 2 - data points to do so. This may cause errors or a poor model fit. - i Generating 3 candidates - i Predicted candidates + (x) GP has a LOO R² of 0% and is unreliable. + i Generating a candidate as far away from existing points as possible. i Estimating performance i Fold01: preprocessor 1/1 i Fold01: preprocessor 1/1, model 1/1 @@ -45,9 +53,7 @@ i Fold10: preprocessor 1/1, model 1/1 i Fold10: preprocessor 1/1, model 1/1 (predictions) v Estimating performance - i Gaussian process model - i Generating 2 candidates - i Predicted candidates + i Generating 15 candidates i Estimating performance i Fold01: preprocessor 1/1 i Fold01: preprocessor 1/1, model 1/1 @@ -108,27 +114,24 @@ -- Iteration 1 ----------------------------------------------------------------- - i Current best: rmse=2.461 (@iter 0) - i Gaussian process model - ! The Gaussian process model is being fit using 1 features but only has 2 - data points to do so. This may cause errors or a poor model fit. - i Generating 3 candidates - i Predicted candidates - i num_comp=5 + i Current best: rmse=2.505 (@iter 0) + (x) GP has a LOO R² of 0% and is unreliable. + v Gaussian process model failed + i Generating a candidate as far away from existing points as possible. + i num_comp=11 i Estimating performance v Estimating performance - <3 Newest results: rmse=2.453 (+/-0.381) + (x) Newest results: rmse=3.589 (+/-0.499) -- Iteration 2 ----------------------------------------------------------------- - i Current best: rmse=2.453 (@iter 1) - i Gaussian process model - i Generating 2 candidates - i Predicted candidates - i num_comp=1 + i Current best: rmse=2.505 (@iter 0) + v Gaussian process model (LOO R²: 30.5%) + i Generating 15 candidates + i num_comp=4 i Estimating performance v Estimating performance - (x) Newest results: rmse=2.646 (+/-0.286) + <3 Newest results: rmse=2.461 (+/-0.37) Output # Tuning results # 10-fold cross-validation @@ -161,13 +164,11 @@ -- Iteration 1 ----------------------------------------------------------------- - i Current best: rmse=2.461 (@iter 0) - i Gaussian process model - ! The Gaussian process model is being fit using 1 features but only has 2 - data points to do so. This may cause errors or a poor model fit. - i Generating 3 candidates - i Predicted candidates - i num_comp=5 + i Current best: rmse=2.505 (@iter 0) + (x) GP has a LOO R² of 0% and is unreliable. + v Gaussian process model failed + i Generating a candidate as far away from existing points as possible. + i num_comp=11 i Estimating performance i Fold01: preprocessor 1/1 i Fold01: preprocessor 1/1, model 1/1 @@ -200,15 +201,14 @@ i Fold10: preprocessor 1/1, model 1/1 i Fold10: preprocessor 1/1, model 1/1 (predictions) v Estimating performance - <3 Newest results: rmse=2.453 (+/-0.381) + (x) Newest results: rmse=3.589 (+/-0.499) -- Iteration 2 ----------------------------------------------------------------- - i Current best: rmse=2.453 (@iter 1) - i Gaussian process model - i Generating 2 candidates - i Predicted candidates - i num_comp=1 + i Current best: rmse=2.505 (@iter 0) + v Gaussian process model (LOO R²: 30.5%) + i Generating 15 candidates + i num_comp=4 i Estimating performance i Fold01: preprocessor 1/1 i Fold01: preprocessor 1/1, model 1/1 @@ -241,7 +241,7 @@ i Fold10: preprocessor 1/1, model 1/1 i Fold10: preprocessor 1/1, model 1/1 (predictions) v Estimating performance - (x) Newest results: rmse=2.646 (+/-0.286) + <3 Newest results: rmse=2.461 (+/-0.37) Output # Tuning results # 10-fold cross-validation @@ -260,6 +260,39 @@ 10 Fold10 0 # i 20 more rows +# tune recipe only - failure in recipe is caught elegantly + + Code + cars_init_res <- tune_grid(model, preprocessor = rec, resamples = data_folds, + grid = cars_grid) + Message + > A | error: Error in `step_spline_b()`: + Caused by error in `prep()`: + ! `deg_free` must be a whole number, not a numeric `NA`. + > B | warning: Some 'x' values beyond boundary knots may cause ill-conditioned basis + functions. + +--- + + Code + set.seed(283) + cars_bayes_res <- tune_bayes(model, preprocessor = rec, resamples = data_folds, + initial = cars_init_res, iter = 2) + Message + (x) GP has a LOO R² of 0% and is unreliable. + i Generating a candidate as far away from existing points as possible. + > A | error: Error in `step_spline_b()`: + Caused by error in `prep()`: + ! `degree` (3) must be less than or equal to `deg_free` (2) when `complete_set = TRUE`. + Condition + Warning: + All models failed. Run `show_notes(.Last.tune.result)` for more information. + Message + (x) GP has a LOO R² of 0% and is unreliable. + i Generating a candidate as far away from existing points as possible. + > A | warning: Some 'x' values beyond boundary knots may cause ill-conditioned basis + functions. + # tune model only - failure in recipe is caught elegantly Code @@ -320,8 +353,9 @@ res2 <- tune_bayes(wflow, resamples = folds, param_info = pset, initial = iter1, iter = iter2, control = control_bayes(save_workflow = TRUE)) Message - ! The Gaussian process model is being fit using 1 features but only has 2 - data points to do so. This may cause errors or a poor model fit. + (x) GP has a LOO R² of 0% and is unreliable. + i Generating a candidate as far away from existing points as possible. + i Generating 5 candidates # too few starting values @@ -329,8 +363,7 @@ tune:::check_bayes_initial_size(5, 3, FALSE) Message ! There are 5 tuning parameters and 3 grid points were requested. - * There are as many tuning parameters as there are initial points. This is - likely to cause numerical issues in the first few search iterations. + * This is likely to cause numerical issues in the first few search iterations. --- @@ -338,8 +371,7 @@ tune:::check_bayes_initial_size(5, 3, TRUE) Message ! There are 5 tuning parameters and 3 grid points were requested. - * There are as many tuning parameters as there are initial points. This is - likely to cause numerical issues in the first few search iterations. + * This is likely to cause numerical issues in the first few search iterations. * With racing, only completely resampled parameters are used. --- @@ -348,8 +380,7 @@ tune:::check_bayes_initial_size(2, 2, FALSE) Message ! There are 2 tuning parameters and 2 grid points were requested. - * There are as many tuning parameters as there are initial points. This is - likely to cause numerical issues in the first few search iterations. + * This is likely to cause numerical issues in the first few search iterations. --- @@ -390,34 +421,53 @@ > A | warning: A correlation computation is required, but `estimate` is constant and has 0 standard deviation, resulting in a divide by 0 error. `NA` will be returned. ! For the rsq estimates, 1 missing value was found and removed before fitting the Gaussian process model. - ! The Gaussian process model is being fit using 1 features but only has 2 - data points to do so. This may cause errors or a poor model fit. - ! For the rsq estimates, 1 missing value was found and removed before fitting - the Gaussian process model. + (x) GP has a LOO R² of 0% and is unreliable. + i Generating a candidate as far away from existing points as possible. > A | warning: A correlation computation is required, but `estimate` is constant and has 0 standard deviation, resulting in a divide by 0 error. `NA` will be returned. ! For the rsq estimates, 2 missing values were found and removed before fitting the Gaussian process model. + (x) GP has a LOO R² of 0% and is unreliable. + i Generating a candidate as far away from existing points as possible. > A | warning: A correlation computation is required, but `estimate` is constant and has 0 standard deviation, resulting in a divide by 0 error. `NA` will be returned. ! For the rsq estimates, 3 missing values were found and removed before fitting the Gaussian process model. + (x) GP has a LOO R² of 0% and is unreliable. + i Generating a candidate as far away from existing points as possible. > A | warning: A correlation computation is required, but `estimate` is constant and has 0 standard deviation, resulting in a divide by 0 error. `NA` will be returned. ! For the rsq estimates, 4 missing values were found and removed before fitting the Gaussian process model. + (x) GP has a LOO R² of 0% and is unreliable. + i Generating a candidate as far away from existing points as possible. > A | warning: A correlation computation is required, but `estimate` is constant and has 0 standard deviation, resulting in a divide by 0 error. `NA` will be returned. ! For the rsq estimates, 5 missing values were found and removed before fitting the Gaussian process model. + (x) GP has a LOO R² of 0% and is unreliable. + i Generating a candidate as far away from existing points as possible. > A | warning: A correlation computation is required, but `estimate` is constant and has 0 standard deviation, resulting in a divide by 0 error. `NA` will be returned. ! For the rsq estimates, 6 missing values were found and removed before fitting the Gaussian process model. + (x) GP has a LOO R² of 0% and is unreliable. + i Generating a candidate as far away from existing points as possible. > A | warning: A correlation computation is required, but `estimate` is constant and has 0 standard deviation, resulting in a divide by 0 error. `NA` will be returned. ! For the rsq estimates, 7 missing values were found and removed before fitting the Gaussian process model. + (x) GP has a LOO R² of 0% and is unreliable. + i Generating a candidate as far away from existing points as possible. > A | warning: A correlation computation is required, but `estimate` is constant and has 0 standard deviation, resulting in a divide by 0 error. `NA` will be returned. ! For the rsq estimates, 8 missing values were found and removed before fitting the Gaussian process model. + (x) GP has a LOO R² of 0% and is unreliable. + i Generating a candidate as far away from existing points as possible. > A | warning: A correlation computation is required, but `estimate` is constant and has 0 standard deviation, resulting in a divide by 0 error. `NA` will be returned. ! For the rsq estimates, 9 missing values were found and removed before fitting the Gaussian process model. + (x) GP has a LOO R² of 0% and is unreliable. + i Generating a candidate as far away from existing points as possible. + > A | warning: A correlation computation is required, but `estimate` is constant and has 0 standard deviation, resulting in a divide by 0 error. `NA` will be returned. + ! For the rsq estimates, 10 missing values were found and removed before + fitting the Gaussian process model. + (x) GP has a LOO R² of 0% and is unreliable. + i Generating a candidate as far away from existing points as possible. > A | warning: A correlation computation is required, but `estimate` is constant and has 0 standard deviation, resulting in a divide by 0 error. `NA` will be returned. ! No improvement for 10 iterations; returning current results. @@ -433,12 +483,10 @@ > A | warning: A correlation computation is required, but `estimate` is constant and has 0 standard deviation, resulting in a divide by 0 error. `NA` will be returned. ! All of the rsq estimates were missing. The Gaussian process model cannot be fit to the data. - > A | warning: no non-missing arguments to min; returning Inf - > B | warning: no non-missing arguments to max; returning -Inf - > C | error: argument must be coercible to non-negative integer + (x) GP failed: Error in initialize(...) : is.numeric(X) is not TRUE Condition - Error in `check_gp_failure()`: - ! Gaussian process model was not fit. + Error in `apply()`: + ! dim(X) must have a positive length Message x Optimization stopped prematurely; returning current results. diff --git a/tests/testthat/test-GP.R b/tests/testthat/test-GP.R index 93434082..d7affba6 100644 --- a/tests/testthat/test-GP.R +++ b/tests/testthat/test-GP.R @@ -13,49 +13,51 @@ test_that("encoding before model", { # ------------------------------------------------------------------------------ -test_that("GP fit - svm", { +test_that("GP fit - svm - failure", { svm_results <- readRDS(test_path("data", "svm_results.rds")) svm_set <- attributes(svm_results)$parameters - svm_gp <- - tune:::fit_gp( - collect_metrics(svm_results), - pset = svm_set, - metric = "accuracy", - control = control_bayes(verbose = TRUE) - ) - expect_equal(class(svm_gp), "GP") - expect_equal( - colnames(svm_gp$X), - c("cost", "`%^*#`", "scale_factor") + expect_snapshot({ + svm_gp <- + tune:::fit_gp( + collect_metrics(svm_results), + pset = svm_set, + metric = "accuracy", + control = control_bayes(verbose = TRUE) + ) + }) + + expect_equal(class(svm_gp), "list") + expect_named( + svm_gp, + c("fit", "use", "rsq", "tr") + ) + expect_false(svm_gp$use) + expect_named( + svm_gp$tr, + c("cost", "X....", "scale_factor", ".outcome") ) -}) -# ------------------------------------------------------------------------------ + curr <- + collect_metrics(svm_results) |> + dplyr::filter(.metric == "accuracy") |> + mutate(.iter = 0) -test_that("GP fit - knn", { - knn_gp <- readRDS(test_path("data", "knn_gp.rds")) - - knn_cols <- c( - "K", - "weight_funcrectangular", - "weight_functriangular", - "weight_funcepanechnikov", - "weight_funcbiweight", - "weight_functriweight", - "weight_funccos", - "weight_funcinv", - "weight_funcgaussian", - "weight_funcrank", - "exponent" - ) - expect_equal(class(knn_gp), "GP") - expect_equal(colnames(knn_gp$X), knn_cols) + expect_snapshot({ + svm_scores <- + tune:::pred_gp( + svm_gp, + pset = svm_set, + size = 20, + current = curr, + control = ctrl + ) + }) }) # ------------------------------------------------------------------------------ -test_that("GP scoring", { +test_that("GP scoring with failed model", { svm_results <- readRDS(test_path("data", "svm_results.rds")) svm_set <- attributes(svm_results)$parameters @@ -65,26 +67,80 @@ test_that("GP scoring", { dplyr::filter(.metric == "accuracy") |> mutate(.iter = 0) - svm_gp <- - tune:::fit_gp( - collect_metrics(svm_results), - pset = svm_set, - metric = "accuracy", - control = ctrl - ) + expect_snapshot({ + svm_gp <- + tune:::fit_gp( + collect_metrics(svm_results), + pset = svm_set, + metric = "accuracy", + control = ctrl + ) + }) - svm_scores <- - tune:::pred_gp( - svm_gp, - pset = svm_set, - size = 20, - current = curr, - control = ctrl - ) + expect_snapshot({ + svm_scores <- + tune:::pred_gp( + svm_gp, + pset = svm_set, + size = 20, + current = curr, + control = ctrl + ) + }) expect_true(tibble::is_tibble(svm_scores)) - expect_equal( - colnames(svm_scores), + expect_named( + svm_scores, c("cost", "%^*#", "scale_factor", ".mean", ".sd") ) - expect_equal(nrow(svm_scores), 20) + expect_equal(nrow(svm_scores), 1) +}) + + +# ------------------------------------------------------------------------------ + +test_that("GP fit - knn", { + knn_results <- readRDS(test_path("data", "knn_results.rds")) + knn_set <- attributes(knn_results)$parameters + + knn_mtr <- + collect_metrics(knn_results) |> + dplyr::filter(.metric == "roc_auc") + + set.seed(1) + knn_gp <- + tune:::fit_gp( + knn_mtr, + pset = knn_set, + metric = "roc_auc", + control = control_bayes() + ) + + expect_equal(class(knn_gp), "list") + expect_named( + knn_gp, + c("fit", "use", "rsq", "tr") + ) + expect_true(knn_gp$use) + expect_named( + knn_gp$tr, + c("K", "weight_func", "exponent", ".outcome") + ) + + expect_snapshot({ + set.seed(1) + knn_scores <- + tune:::pred_gp( + knn_gp, + pset = knn_set, + size = 20, + current = knn_mtr |> mutate(.iter = 0), + control = ctrl + ) + }) + + expect_named( + knn_scores, + c("K", "weight_func", "exponent", ".mean", ".sd") + ) + expect_equal(nrow(knn_scores), 20L) }) diff --git a/tests/testthat/test-bayes.R b/tests/testthat/test-bayes.R index 0c5aa3d0..2d629974 100644 --- a/tests/testthat/test-bayes.R +++ b/tests/testthat/test-bayes.R @@ -24,11 +24,12 @@ test_that("tune recipe only", { add_recipe(rec_tune_1) |> add_model(lm_mod) pset <- extract_parameter_set_dials(wflow) |> - update(num_comp = dials::num_comp(c(1, 5))) + update(num_comp = dials::num_comp(c(1, 15))) folds <- rsample::vfold_cv(mtcars) control <- control_bayes(extract = identity) - suppressMessages({ + expect_snapshot({ + set.seed(2) res <- tune_bayes( wflow, resamples = folds, @@ -38,6 +39,7 @@ test_that("tune recipe only", { control = control ) }) + res_est <- collect_metrics(res) res_workflow <- res$.extracts[[1]]$.extracts[[1]] @@ -47,30 +49,16 @@ test_that("tune recipe only", { num_comp <- res_workflow$pre$actions$recipe$recipe$steps[[2]]$num_comp expect_equal(unique(res$id), folds$id) - expect_equal(nrow(res_est), iterT * 2) # TODO FAIL - expect_equal(sum(res_est$.metric == "rmse"), iterT) # TODO FAIL - expect_equal(sum(res_est$.metric == "rsq"), iterT) # TODO FAIL - expect_equal(dplyr::n_distinct(res_est$.config), iterT) # TODO FAIL etc + expect_equal(nrow(res_est), iterT * 2) + expect_equal(sum(res_est$.metric == "rmse"), iterT) + expect_equal(sum(res_est$.metric == "rsq"), iterT) + expect_equal(dplyr::n_distinct(res_est$.config), iterT) expect_equal(res_est$n, rep(10, iterT * 2)) expect_false(identical(num_comp, expr(tune()))) expect_true(res_workflow$trained) expect_null(.get_tune_eval_times(res)) expect_null(.get_tune_eval_time_target(res)) - set.seed(1) - expect_no_error( - suppressMessages( - tune_bayes( - wflow, - resamples = folds, - param_info = pset, - initial = iter1, - iter = iter2, - corr = list(type = "matern", nu = 3 / 2) - ) - ) - ) - # test verbose options set.seed(1) expect_snapshot( @@ -169,7 +157,7 @@ test_that("tune model only (with variables)", { res_est <- collect_metrics(res) - expect_equal(nrow(res_est), iterT * 2) # TODO FAIL etc + expect_equal(nrow(res_est), iterT * 2) expect_equal(sum(res_est$.metric == "rmse"), iterT) expect_equal(sum(res_est$.metric == "rsq"), iterT) expect_equal(dplyr::n_distinct(res_est$.config), iterT) @@ -300,7 +288,7 @@ test_that("tune recipe only - failure in recipe is caught elegantly", { # NA values not allowed in recipe cars_grid <- tibble(deg_free = c(3, NA_real_, 4)) - suppressMessages({ + expect_snapshot({ cars_init_res <- tune_grid( model, preprocessor = rec, @@ -309,8 +297,8 @@ test_that("tune recipe only - failure in recipe is caught elegantly", { ) }) - suppressMessages({ - set.seed(283) #<- chosen to not generate faiures + expect_snapshot({ + set.seed(283) cars_bayes_res <- tune_bayes( model, preprocessor = rec, @@ -335,11 +323,11 @@ test_that("tune recipe only - failure in recipe is caught elegantly", { expect_equal(obs_failures, exp_failures) all_notes <- collect_notes(cars_bayes_res) - expect_equal(nrow(all_notes), 11L) + expect_equal(nrow(all_notes), 5L) expect_equal( collect_metrics(cars_bayes_res) |> distinct(deg_free) |> nrow(), - exp_init_grid_res + 2 + 3 ) }) @@ -422,7 +410,7 @@ test_that("tune model and recipe - failure in recipe is caught elegantly", { }) suppressMessages({ - set.seed(283) #<- chosen to not generate faiures + set.seed(283) cars_bayes_res <- tune_bayes( svm_mod, preprocessor = rec, @@ -447,7 +435,7 @@ test_that("tune model and recipe - failure in recipe is caught elegantly", { expect_equal(obs_failures, exp_failures) all_notes <- collect_notes(cars_bayes_res) - expect_equal(nrow(all_notes), 6L) + expect_equal(nrow(all_notes), 7L) expect_equal( collect_metrics(cars_bayes_res) |> distinct(deg_free, cost) |> nrow(), From f11eab774eed16f02093c7b6d4ab516ab1093951 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?=E2=80=98topepo=E2=80=99?= Date: Wed, 15 Oct 2025 23:02:16 -0400 Subject: [PATCH 23/37] redoc --- DESCRIPTION | 2 +- NAMESPACE | 1 - R/0_imports.R | 1 - R/tune_bayes.R | 2 +- man/autoplot.tune_results.Rd | 2 +- man/collect_predictions.Rd | 2 +- man/compute_metrics.Rd | 2 +- man/conf_mat_resampled.Rd | 2 +- man/coord_obs_pred.Rd | 2 +- man/expo_decay.Rd | 2 +- man/extract-tune.Rd | 2 +- man/finalize_model.Rd | 2 +- man/fit_best.Rd | 2 +- man/fit_resamples.Rd | 2 +- man/int_pctl.tune_results.Rd | 2 +- man/last_fit.Rd | 2 +- man/merge.recipe.Rd | 2 +- man/show_best.Rd | 2 +- man/tune_bayes.Rd | 4 ++-- man/tune_grid.Rd | 2 +- 20 files changed, 19 insertions(+), 21 deletions(-) diff --git a/DESCRIPTION b/DESCRIPTION index 9e957d8e..5096a0d8 100644 --- a/DESCRIPTION +++ b/DESCRIPTION @@ -66,4 +66,4 @@ Encoding: UTF-8 Language: en-US LazyData: true Roxygen: list(markdown = TRUE) -RoxygenNote: 7.3.2 +RoxygenNote: 7.3.3 diff --git a/NAMESPACE b/NAMESPACE index 051f192e..12c0c7a3 100644 --- a/NAMESPACE +++ b/NAMESPACE @@ -255,7 +255,6 @@ export(val_class_or_null) import(rlang) import(vctrs) import(workflows) -importFrom(GPfit,GP_fit) importFrom(cli,cli_abort) importFrom(cli,cli_alert) importFrom(cli,cli_alert_danger) diff --git a/R/0_imports.R b/R/0_imports.R index 923b0277..3ee24f06 100644 --- a/R/0_imports.R +++ b/R/0_imports.R @@ -12,7 +12,6 @@ #' @importFrom stats model.matrix model.response model.frame update median #' @importFrom yardstick rsq rmse accuracy roc_auc brier_survival brier_class #' @importFrom tidyr unnest nest -#' @importFrom GPfit GP_fit #' @importFrom parsnip get_from_env required_pkgs #' @importFrom recipes all_predictors all_outcomes #' @importFrom ggplot2 ggplot aes xlab geom_point geom_errorbar facet_wrap ylab diff --git a/R/tune_bayes.R b/R/tune_bayes.R index e9493e68..2146a713 100644 --- a/R/tune_bayes.R +++ b/R/tune_bayes.R @@ -13,7 +13,7 @@ #' from [tune_grid()]) or a positive integer. It is suggested that the number of #' initial results be greater than the number of parameters being optimized. #' @param control A control object created by [control_bayes()]. -#' @param ... Options to pass to [GPfit::GP_fit()] (mostly for the `corr` argument). +#' @param ... Not currently used. #' @return A tibble of results that mirror those generated by [tune_grid()]. #' However, these results contain an `.iter` column and replicate the `rset` #' object multiple times over iterations (at limited additional memory costs). diff --git a/man/autoplot.tune_results.Rd b/man/autoplot.tune_results.Rd index 27d5dd9d..88366499 100644 --- a/man/autoplot.tune_results.Rd +++ b/man/autoplot.tune_results.Rd @@ -83,7 +83,7 @@ Parameters are labeled using the labels found in the parameter object } } \examples{ -\dontshow{if (tune:::should_run_examples()) (if (getRversion() >= "3.4") withAutoprint else force)(\{ # examplesIf} +\dontshow{if (tune:::should_run_examples()) withAutoprint(\{ # examplesIf} # For grid search: data("example_ames_knn") diff --git a/man/collect_predictions.Rd b/man/collect_predictions.Rd index faea494b..965fb42a 100644 --- a/man/collect_predictions.Rd +++ b/man/collect_predictions.Rd @@ -124,7 +124,7 @@ more about submodels. } \examples{ -\dontshow{if (tune:::should_run_examples(suggests = c("kknn", "splines2"))) (if (getRversion() >= "3.4") withAutoprint else force)(\{ # examplesIf} +\dontshow{if (tune:::should_run_examples(suggests = c("kknn", "splines2"))) withAutoprint(\{ # examplesIf} data("example_ames_knn") # The parameters for the model: extract_parameter_set_dials(ames_wflow) diff --git a/man/compute_metrics.Rd b/man/compute_metrics.Rd index cf286e67..792274ae 100644 --- a/man/compute_metrics.Rd +++ b/man/compute_metrics.Rd @@ -54,7 +54,7 @@ class probabilities (\code{"prob"}.) By default, the tuning functions used to generate \code{x} compute metrics of all needed types. } \examples{ -\dontshow{if (tune:::should_run_examples()) (if (getRversion() >= "3.4") withAutoprint else force)(\{ # examplesIf} +\dontshow{if (tune:::should_run_examples()) withAutoprint(\{ # examplesIf} # load needed packages: library(parsnip) library(rsample) diff --git a/man/conf_mat_resampled.Rd b/man/conf_mat_resampled.Rd index 08307698..16171f86 100644 --- a/man/conf_mat_resampled.Rd +++ b/man/conf_mat_resampled.Rd @@ -26,7 +26,7 @@ For classification problems, \code{conf_mat_resampled()} computes a separate confusion matrix for each resample then averages the cell counts. } \examples{ -\dontshow{if (rlang::is_installed("modeldata")) (if (getRversion() >= "3.4") withAutoprint else force)(\{ # examplesIf} +\dontshow{if (rlang::is_installed("modeldata")) withAutoprint(\{ # examplesIf} # example code library(parsnip) diff --git a/man/coord_obs_pred.Rd b/man/coord_obs_pred.Rd index 0358b0f5..da29cb43 100644 --- a/man/coord_obs_pred.Rd +++ b/man/coord_obs_pred.Rd @@ -30,7 +30,7 @@ For regression models, \code{coord_obs_pred()} can be used in a ggplot to make t x- and y-axes have the same exact scale along with an aspect ratio of one. } \examples{ -\dontshow{if (rlang::is_installed("modeldata")) (if (getRversion() >= "3.4") withAutoprint else force)(\{ # examplesIf} +\dontshow{if (rlang::is_installed("modeldata")) withAutoprint(\{ # examplesIf} # example code data(solubility_test, package = "modeldata") diff --git a/man/expo_decay.Rd b/man/expo_decay.Rd index e3a69eec..c4470f9c 100644 --- a/man/expo_decay.Rd +++ b/man/expo_decay.Rd @@ -30,7 +30,7 @@ would be required since only the first argument would be evaluated during tuning. } \examples{ -\dontshow{if (tune:::should_run_examples()) (if (getRversion() >= "3.4") withAutoprint else force)(\{ # examplesIf} +\dontshow{if (tune:::should_run_examples()) withAutoprint(\{ # examplesIf} library(tibble) library(purrr) library(ggplot2) diff --git a/man/extract-tune.Rd b/man/extract-tune.Rd index 16c929cc..fad41881 100644 --- a/man/extract-tune.Rd +++ b/man/extract-tune.Rd @@ -73,7 +73,7 @@ estimated for objects produced by \code{\link[=last_fit]{last_fit()}}. These functions supersede \code{extract_model()}. } \examples{ -\dontshow{if (rlang::is_installed("splines2")) (if (getRversion() >= "3.4") withAutoprint else force)(\{ # examplesIf} +\dontshow{if (rlang::is_installed("splines2")) withAutoprint(\{ # examplesIf} # example code library(recipes) diff --git a/man/finalize_model.Rd b/man/finalize_model.Rd index dcfc3441..dfa6c1f7 100644 --- a/man/finalize_model.Rd +++ b/man/finalize_model.Rd @@ -32,7 +32,7 @@ The \verb{finalize_*} functions take a list or tibble of tuning parameter values update objects with those values. } \examples{ -\dontshow{if (tune:::should_run_examples(suggests = "kknn")) (if (getRversion() >= "3.4") withAutoprint else force)(\{ # examplesIf} +\dontshow{if (tune:::should_run_examples(suggests = "kknn")) withAutoprint(\{ # examplesIf} data("example_ames_knn") library(parsnip) diff --git a/man/fit_best.Rd b/man/fit_best.Rd index 57118ff0..903354bf 100644 --- a/man/fit_best.Rd +++ b/man/fit_best.Rd @@ -109,7 +109,7 @@ via \link[=extract_workflow.tune_results]{extract_workflow()}. } \examples{ -\dontshow{if (tune:::should_run_examples() && rlang::is_installed("modeldata") && !tune:::is_cran_check()) (if (getRversion() >= "3.4") withAutoprint else force)(\{ # examplesIf} +\dontshow{if (tune:::should_run_examples() && rlang::is_installed("modeldata") && !tune:::is_cran_check()) withAutoprint(\{ # examplesIf} library(recipes) library(rsample) library(parsnip) diff --git a/man/fit_resamples.Rd b/man/fit_resamples.Rd index 94a2d6ac..c6974497 100644 --- a/man/fit_resamples.Rd +++ b/man/fit_resamples.Rd @@ -210,7 +210,7 @@ processing. } \examples{ -\dontshow{if (tune:::should_run_examples() & rlang::is_installed("splines2")) (if (getRversion() >= "3.4") withAutoprint else force)(\{ # examplesIf} +\dontshow{if (tune:::should_run_examples() & rlang::is_installed("splines2")) withAutoprint(\{ # examplesIf} library(recipes) library(rsample) library(parsnip) diff --git a/man/int_pctl.tune_results.Rd b/man/int_pctl.tune_results.Rd index 1ee68804..93fb67dc 100644 --- a/man/int_pctl.tune_results.Rd +++ b/man/int_pctl.tune_results.Rd @@ -81,7 +81,7 @@ computations can take a long time unless the times are filtered with the \code{eval_time} argument. } \examples{ -\dontshow{if (!tune:::is_cran_check()) (if (getRversion() >= "3.4") withAutoprint else force)(\{ # examplesIf} +\dontshow{if (!tune:::is_cran_check()) withAutoprint(\{ # examplesIf} if (rlang::is_installed("modeldata")) { data(Sacramento, package = "modeldata") library(rsample) diff --git a/man/last_fit.Rd b/man/last_fit.Rd index cf0dbcbb..c999508a 100644 --- a/man/last_fit.Rd +++ b/man/last_fit.Rd @@ -152,7 +152,7 @@ via \link[=extract_workflow.tune_results]{extract_workflow()}. } \examples{ -\dontshow{if (tune:::should_run_examples() & rlang::is_installed("splines2")) (if (getRversion() >= "3.4") withAutoprint else force)(\{ # examplesIf} +\dontshow{if (tune:::should_run_examples() & rlang::is_installed("splines2")) withAutoprint(\{ # examplesIf} library(recipes) library(rsample) library(parsnip) diff --git a/man/merge.recipe.Rd b/man/merge.recipe.Rd index 99221a24..f17a8577 100644 --- a/man/merge.recipe.Rd +++ b/man/merge.recipe.Rd @@ -26,7 +26,7 @@ A tibble with a column \code{x} that has as many rows as were in \code{y}. \pkg{parsnip} model or recipe. } \examples{ -\dontshow{if (tune:::should_run_examples(suggests = c("xgboost", "modeldata", "splines2"))) (if (getRversion() >= "3.4") withAutoprint else force)(\{ # examplesIf} +\dontshow{if (tune:::should_run_examples(suggests = c("xgboost", "modeldata", "splines2"))) withAutoprint(\{ # examplesIf} library(tibble) library(recipes) library(parsnip) diff --git a/man/show_best.Rd b/man/show_best.Rd index 649e8bcd..f998ecb5 100644 --- a/man/show_best.Rd +++ b/man/show_best.Rd @@ -98,7 +98,7 @@ model has an RMSE of 1. The percent loss would be \code{(1.00 - 0.75)/1.00 * 100 or 25 percent. Note that loss will always be non-negative. } \examples{ -\dontshow{if (tune:::should_run_examples()) (if (getRversion() >= "3.4") withAutoprint else force)(\{ # examplesIf} +\dontshow{if (tune:::should_run_examples()) withAutoprint(\{ # examplesIf} data("example_ames_knn") show_best(ames_iter_search, metric = "rmse") diff --git a/man/tune_bayes.Rd b/man/tune_bayes.Rd index 4c0fd315..074da3eb 100644 --- a/man/tune_bayes.Rd +++ b/man/tune_bayes.Rd @@ -41,7 +41,7 @@ tune_bayes(object, ...) have been marked with \link[hardhat:tune]{tune()}, their values must be \link[=finalize_model]{finalized}.} -\item{...}{Options to pass to \code{\link[GPfit:GP_fit]{GPfit::GP_fit()}} (mostly for the \code{corr} argument).} +\item{...}{Not currently used.} \item{preprocessor}{A traditional model formula or a recipe created using \code{\link[recipes:recipe]{recipes::recipe()}}.} @@ -306,7 +306,7 @@ processing. } \examples{ -\dontshow{if (tune:::should_run_examples(suggests = "kernlab") && !tune:::is_cran_check()) (if (getRversion() >= "3.4") withAutoprint else force)(\{ # examplesIf} +\dontshow{if (tune:::should_run_examples(suggests = "kernlab") && !tune:::is_cran_check()) withAutoprint(\{ # examplesIf} library(recipes) library(rsample) library(parsnip) diff --git a/man/tune_grid.Rd b/man/tune_grid.Rd index cf153c71..1b3453c2 100644 --- a/man/tune_grid.Rd +++ b/man/tune_grid.Rd @@ -287,7 +287,7 @@ the largest time corresponding to an event are constant (or \code{NA}). } \examples{ -\dontshow{if (tune:::should_run_examples(suggests = "kernlab") & rlang::is_installed("splines2") && !tune:::is_cran_check()) (if (getRversion() >= "3.4") withAutoprint else force)(\{ # examplesIf} +\dontshow{if (tune:::should_run_examples(suggests = "kernlab") & rlang::is_installed("splines2") && !tune:::is_cran_check()) withAutoprint(\{ # examplesIf} library(recipes) library(rsample) library(parsnip) From 2863caf0de0790c2536406f5619ae115ab88a291 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?=E2=80=98topepo=E2=80=99?= Date: Wed, 15 Oct 2025 23:10:26 -0400 Subject: [PATCH 24/37] update words --- inst/WORDLIST | 3 +++ 1 file changed, 3 insertions(+) diff --git a/inst/WORDLIST b/inst/WORDLIST index 1e048a29..59f87a2f 100644 --- a/inst/WORDLIST +++ b/inst/WORDLIST @@ -9,11 +9,14 @@ Davison Disambiguates EI GPUs +GPfit +GauPro HD Hinkley Isomap L'Ecuyer Lifecycle +Matern Monterey Olshen PSOCK From 4cefced24b34ea0b2c0aeb5b4437ce4a33289065 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?=E2=80=98topepo=E2=80=99?= Date: Wed, 15 Oct 2025 23:11:00 -0400 Subject: [PATCH 25/37] base pipe --- R/gp_helpers.R | 32 ++++++++++++++++---------------- R/tune_bayes.R | 25 +++---------------------- 2 files changed, 19 insertions(+), 38 deletions(-) diff --git a/R/gp_helpers.R b/R/gp_helpers.R index dc594edb..1f534003 100644 --- a/R/gp_helpers.R +++ b/R/gp_helpers.R @@ -110,7 +110,7 @@ partial_encode <- function(dat, pset) { } normalized <- encode_set( - dat %>% dplyr::select(dplyr::all_of(pset$id)), + dat |> dplyr::select(dplyr::all_of(pset$id)), pset = pset, as_matrix = FALSE ) @@ -140,14 +140,14 @@ fit_gp <- function( ) { tune::empty_ellipses(...) - dat <- dat %>% dplyr::filter(.metric == metric) + dat <- dat |> dplyr::filter(.metric == metric) if (!is.null(eval_time)) { - dat <- dat %>% dplyr::filter(.eval_time == eval_time) + dat <- dat |> dplyr::filter(.eval_time == eval_time) } - dat <- dat %>% - check_gp_data() %>% + dat <- dat |> + check_gp_data() |> dplyr::select(dplyr::all_of(pset$id), mean) qual_info <- find_qual_param(pset) @@ -201,7 +201,7 @@ fit_gp <- function( ) } else { # TODO we should remove the updating; not a great idea - new_val <- normalized %>% dplyr::slice_tail(n = 1) + new_val <- normalized |> dplyr::slice_tail(n = 1) new_x <- as.matrix(new_val[, pset$id]) new_y <- new_val$.outcome @@ -247,7 +247,7 @@ pred_gp <- function(object, pset, size = 5000, current = NULL, control) { pset, size = size, type = "latin_hypercube" - ) %>% + ) |> dplyr::distinct() if (!object$use) { @@ -260,7 +260,7 @@ pred_gp <- function(object, pset, size = 5000, current = NULL, control) { x <- dplyr::anti_join(x, x_old, by = pset$id) keep_ind <- dissim_sample(x_old, x, pset, max_n = Inf) - candidates <- candidates[keep_ind, ] %>% + candidates <- candidates[keep_ind, ] |> dplyr::mutate(.mean = NA_real_, .sd = NA_real_) msg <- @@ -281,7 +281,7 @@ pred_gp <- function(object, pset, size = 5000, current = NULL, control) { } if (!is.null(current)) { - candidates <- candidates %>% + candidates <- candidates |> dplyr::anti_join(current, by = pset$id) } @@ -291,7 +291,7 @@ pred_gp <- function(object, pset, size = 5000, current = NULL, control) { prefix = cli::symbol$tick, color_text = get_tune_colors()$message$warning ) - return(candidates %>% dplyr::mutate(.mean = NA_real_, .sd = NA_real_)) + return(candidates |> dplyr::mutate(.mean = NA_real_, .sd = NA_real_)) } x <- partial_encode(candidates, pset) @@ -299,7 +299,7 @@ pred_gp <- function(object, pset, size = 5000, current = NULL, control) { gp_pred <- object$fit$pred(x, se.fit = TRUE) - gp_pred <- tibble::as_tibble(gp_pred) %>% + gp_pred <- tibble::as_tibble(gp_pred) |> dplyr::select(.mean = mean, .sd = se) dplyr::bind_cols(candidates, gp_pred) } @@ -308,8 +308,8 @@ pred_gp <- function(object, pset, size = 5000, current = NULL, control) { pick_candidate <- function(results, info, control) { bad_gp <- all(is.na(results$.mean)) if (!bad_gp & info$uncertainty < control$uncertain) { - results <- results %>% - dplyr::arrange(dplyr::desc(objective)) %>% + results <- results |> + dplyr::arrange(dplyr::desc(objective)) |> dplyr::slice(1) } else { if (control$verbose_iter) { @@ -319,9 +319,9 @@ pick_candidate <- function(results, info, control) { color_text = get_tune_colors()$message$info ) } - results <- results %>% - dplyr::arrange(dplyr::desc(.sd)) %>% - dplyr::slice(1:floor(.1 * nrow(results))) %>% + results <- results |> + dplyr::arrange(dplyr::desc(.sd)) |> + dplyr::slice(1:floor(.1 * nrow(results))) |> dplyr::sample_n(1) } results diff --git a/R/tune_bayes.R b/R/tune_bayes.R index 2146a713..5bf1c00f 100644 --- a/R/tune_bayes.R +++ b/R/tune_bayes.R @@ -437,7 +437,7 @@ tune_bayes_workflow <- function( set.seed(control$seed[1] + i) gp_mod <- fit_gp( - mean_stats %>% dplyr::select(-.iter), + mean_stats |> dplyr::select(-.iter), pset = param_info, metric = opt_metric_name, eval_time = opt_metric_time, @@ -445,25 +445,6 @@ tune_bayes_workflow <- function( ... ) - # gp_mod <- - # .catch_and_log( - # fit_gp( - # mean_stats |> dplyr::select(-.iter), - # pset = param_info, - # metric = opt_metric_name, - # eval_time = opt_metric_time, - # control = control, - # ... - # ), - # control, - # NULL, - # location = "Gaussian process model", - # notes = .notes, - # catalog = FALSE - # ) - - # gp_mod <- check_gp_failure(gp_mod, prev_gp_mod) - check_time(start_time, control$time_limit) set.seed(control$seed[1] + i + 1) @@ -509,8 +490,8 @@ tune_bayes_workflow <- function( candidates <- pick_candidate(candidates, score_card, control) # These were temp used to replace pick_candidate() - # candidates <- candidates %>% - # dplyr::arrange(dplyr::desc(objective)) %>% + # candidates <- candidates |> + # dplyr::arrange(dplyr::desc(objective)) |> # dplyr::slice(1) if (score_card$uncertainty >= control$uncertain) { From b826bc196b5f0897a9d4eb72f9a71a768a7cd6fa Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?=E2=80=98topepo=E2=80=99?= Date: Wed, 15 Oct 2025 23:32:05 -0400 Subject: [PATCH 26/37] avoid loading workflowsets in test objects --- inst/test_objects.R | 15 ++++++++++++++- tests/testthat/data/lm_bayes.rds | Bin 25192 -> 35352 bytes tests/testthat/data/rcv_results.rds | Bin 52496 -> 62664 bytes tests/testthat/data/test_objects.RData | Bin 77784 -> 87204 bytes 4 files changed, 14 insertions(+), 1 deletion(-) diff --git a/inst/test_objects.R b/inst/test_objects.R index e73a5542..6b17aa13 100644 --- a/inst/test_objects.R +++ b/inst/test_objects.R @@ -1,4 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=?UTF-8?q?=E2=80=98topepo=E2=80=99?= Date: Wed, 15 Oct 2025 23:32:17 -0400 Subject: [PATCH 27/37] missing o=symbol names --- R/0_imports.R | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/R/0_imports.R b/R/0_imports.R index 3ee24f06..6b5334b9 100644 --- a/R/0_imports.R +++ b/R/0_imports.R @@ -123,7 +123,9 @@ utils::globalVariables( ".num_models", "model_stage", "predict_stage", - "se" + "se", + "num", + "user" ) ) From 117ec0180b5afb4b425c6a60243a67f9033aa2a8 Mon Sep 17 00:00:00 2001 From: topepo Date: Thu, 16 Oct 2025 15:16:19 -0400 Subject: [PATCH 28/37] merge on updated names --- R/gp_helpers.R | 6 ++---- 1 file changed, 2 insertions(+), 4 deletions(-) diff --git a/R/gp_helpers.R b/R/gp_helpers.R index 1f534003..844c9d5d 100644 --- a/R/gp_helpers.R +++ b/R/gp_helpers.R @@ -257,16 +257,14 @@ pred_gp <- function(object, pset, size = 5000, current = NULL, control) { x_old <- x_old[, names(x)] # Remove existing points - x <- dplyr::anti_join(x, x_old, by = pset$id) + x <- dplyr::anti_join(x, x_old, by = make.names(pset$id)) keep_ind <- dissim_sample(x_old, x, pset, max_n = Inf) candidates <- candidates[keep_ind, ] |> dplyr::mutate(.mean = NA_real_, .sd = NA_real_) - msg <- - "Generating a candidate as far away from existing points as possible." message_wrap( - msg, + "Generating a candidate as far away from existing points as possible.", prefix = cli::symbol$info, color_text = get_tune_colors()$message$info ) From 5d0ed0307dbb8afb3aab73024dac057490bac783 Mon Sep 17 00:00:00 2001 From: topepo Date: Thu, 16 Oct 2025 15:16:37 -0400 Subject: [PATCH 29/37] capture output --- tests/testthat/test-compute_metrics.R | 52 ++++++++++++++------------- 1 file changed, 27 insertions(+), 25 deletions(-) diff --git a/tests/testthat/test-compute_metrics.R b/tests/testthat/test-compute_metrics.R index 489608ba..8e22611d 100644 --- a/tests/testthat/test-compute_metrics.R +++ b/tests/testthat/test-compute_metrics.R @@ -256,31 +256,33 @@ test_that("`metrics` argument works (iterative tuning)", { m_set_rmse <- metric_set(rmse) m_set_both <- metric_set(rmse, rsq) - set.seed(1) - - res_rmse <- - tune_bayes( - nearest_neighbor("regression", neighbors = tune()), - mpg ~ ., - vfold_cv(mtcars, v = 3), - metrics = m_set_rmse, - control = tune::control_bayes(save_pred = TRUE), - iter = 2, - initial = 3 - ) - - set.seed(1) - - res_both <- - tune_bayes( - nearest_neighbor("regression", neighbors = tune()), - mpg ~ ., - vfold_cv(mtcars, v = 3), - metrics = m_set_both, - control = tune::control_bayes(save_pred = TRUE), - iter = 2, - initial = 3 - ) + expect_snapshot({ + set.seed(1) + res_rmse <- + tune_bayes( + nearest_neighbor("regression", neighbors = tune()), + mpg ~ ., + vfold_cv(mtcars, v = 3), + metrics = m_set_rmse, + control = tune::control_bayes(save_pred = TRUE), + iter = 2, + initial = 3 + ) + }) + + expect_snapshot({ + set.seed(1) + res_both <- + tune_bayes( + nearest_neighbor("regression", neighbors = tune()), + mpg ~ ., + vfold_cv(mtcars, v = 3), + metrics = m_set_both, + control = tune::control_bayes(save_pred = TRUE), + iter = 2, + initial = 3 + ) + }) collected_sum_rmse <- collect_metrics(res_rmse) computed_sum_rmse <- compute_metrics(res_both, m_set_rmse) From 5a0ea4f1f1a56b718f59ce2988b34de49266ec86 Mon Sep 17 00:00:00 2001 From: topepo Date: Thu, 16 Oct 2025 15:16:59 -0400 Subject: [PATCH 30/37] update bayes objects with wide grids --- inst/test_objects.R | 1 + tests/testthat/_snaps/GP.md | 2 +- tests/testthat/_snaps/compute_metrics.md | 24 ++++++++++++++++++++ tests/testthat/_snaps/eval-time-args.md | 4 ++++ tests/testthat/data/knn_gp.rds | Bin 46996 -> 47012 bytes tests/testthat/data/knn_grid.rds | Bin 348 -> 348 bytes tests/testthat/data/knn_results.rds | Bin 32560 -> 32588 bytes tests/testthat/data/knn_set.rds | Bin 584 -> 584 bytes tests/testthat/data/lm_bayes.rds | Bin 35352 -> 18968 bytes tests/testthat/data/lm_resamples.rds | Bin 2880 -> 2880 bytes tests/testthat/data/rcv_results.rds | Bin 62664 -> 46024 bytes tests/testthat/data/surv_boost_tree_res.rds | Bin 9628 -> 9652 bytes tests/testthat/data/svm_reg_results.rds | Bin 48400 -> 48364 bytes tests/testthat/data/svm_results.rds | Bin 37624 -> 37628 bytes tests/testthat/data/test_objects.RData | Bin 87204 -> 64000 bytes 15 files changed, 30 insertions(+), 1 deletion(-) diff --git a/inst/test_objects.R b/inst/test_objects.R index 6b17aa13..1946d679 100644 --- a/inst/test_objects.R +++ b/inst/test_objects.R @@ -85,6 +85,7 @@ mt_spln_lm_bo <- tune_bayes( mt_spln_lm, resamples = folds, + initial = 2, iter = 3, control = b_ctrl ) diff --git a/tests/testthat/_snaps/GP.md b/tests/testthat/_snaps/GP.md index 9863eb20..94bb9bfa 100644 --- a/tests/testthat/_snaps/GP.md +++ b/tests/testthat/_snaps/GP.md @@ -40,5 +40,5 @@ i Generating 20 candidates Condition Warning in `self$pred_one_matrix()`: - Too small s2 predictions are being set to 1.9315003017685e-09 (2 values, min=-0.000957110681268789). covmat is not being altered. + Too small s2 predictions are being set to 1.93149960474772e-09 (2 values, min=-0.000957105865404521). covmat is not being altered. diff --git a/tests/testthat/_snaps/compute_metrics.md b/tests/testthat/_snaps/compute_metrics.md index 3560f458..87593c3a 100644 --- a/tests/testthat/_snaps/compute_metrics.md +++ b/tests/testthat/_snaps/compute_metrics.md @@ -16,6 +16,30 @@ ! The supplied `metrics` argument has metrics of type "prob", while the metrics used to generate predictions only used "class" metrics. i To save predictions for prob metrics, generate `x` with metrics of that type. +# `metrics` argument works (iterative tuning) + + Code + set.seed(1) + res_rmse <- tune_bayes(nearest_neighbor("regression", neighbors = tune()), mpg ~ + ., vfold_cv(mtcars, v = 3), metrics = m_set_rmse, control = tune::control_bayes( + save_pred = TRUE), iter = 2, initial = 3) + Message + (x) GP has a LOO R² of 0% and is unreliable. + i Generating a candidate as far away from existing points as possible. + i Generating 15 candidates + +--- + + Code + set.seed(1) + res_both <- tune_bayes(nearest_neighbor("regression", neighbors = tune()), mpg ~ + ., vfold_cv(mtcars, v = 3), metrics = m_set_both, control = tune::control_bayes( + save_pred = TRUE), iter = 2, initial = 3) + Message + (x) GP has a LOO R² of 0% and is unreliable. + i Generating a candidate as far away from existing points as possible. + i Generating 15 candidates + # errors informatively with bad input Code diff --git a/tests/testthat/_snaps/eval-time-args.md b/tests/testthat/_snaps/eval-time-args.md index 8d4b3646..a933df32 100644 --- a/tests/testthat/_snaps/eval-time-args.md +++ b/tests/testthat/_snaps/eval-time-args.md @@ -40,6 +40,8 @@ Condition Warning in `tune_bayes()`: `eval_time` is only used for models with mode "censored regression". + Message + i Generating 15 candidates --- @@ -91,6 +93,8 @@ Condition Warning in `tune_bayes()`: `eval_time` is only used for models with mode "censored regression". + Message + i Generating 15 candidates --- diff --git a/tests/testthat/data/knn_gp.rds b/tests/testthat/data/knn_gp.rds index abc1df1647efb59b8385d68225374209913e5f25..59c3347bcd7ecd30bdf065317a6a36670c62aecc 100644 GIT binary patch literal 47012 zcmV(dK>WY`H+ooF0004LBHlIv03iVu0001VFXf}@TsXI9T>vZsd>Q$l_#Hd#)hNecE!6_V?(33>J~XhHc|@+ 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c1fc879c40b0516b766f94731f0324a5dc57a721 Mon Sep 17 00:00:00 2001 From: topepo Date: Thu, 16 Oct 2025 16:00:28 -0400 Subject: [PATCH 31/37] remove the use of previous GP fit code --- R/gp_helpers.R | 48 ++++++++++++++---------------------------------- 1 file changed, 14 insertions(+), 34 deletions(-) diff --git a/R/gp_helpers.R b/R/gp_helpers.R index 844c9d5d..7761d5d3 100644 --- a/R/gp_helpers.R +++ b/R/gp_helpers.R @@ -135,7 +135,6 @@ fit_gp <- function( metric, eval_time = NULL, control, - previous = NULL, ... ) { tune::empty_ellipses(...) @@ -176,40 +175,21 @@ fit_gp <- function( ) } - # TODO get rid of previous - if (!is.null(previous)) { - if (!previous$use) { - previous <- NULL - } - } - - if (is.null(previous)) { - withr::with_seed( - 114, - gp_fit <- try( - GauPro::gpkm( - .outcome ~ ., - data = normalized, - kernel = gp_kernel, - verbose = 0, - restarts = 5, - nug.est = FALSE, - parallel = FALSE - ), - silent = TRUE - ) + withr::with_seed( + 114, + gp_fit <- try( + GauPro::gpkm( + .outcome ~ ., + data = normalized, + kernel = gp_kernel, + verbose = 0, + restarts = 5, + nug.est = FALSE, + parallel = FALSE + ), + silent = TRUE ) - } else { - # TODO we should remove the updating; not a great idea - new_val <- normalized |> dplyr::slice_tail(n = 1) - new_x <- as.matrix(new_val[, pset$id]) - new_y <- new_val$.outcome - - withr::with_seed( - 114, - gp_fit <- try(previous$fit$update(new_x, new_y), silent = TRUE) - ) - } + ) new_check <- check_gp(gp_fit) From 4680c3d5ea59169e0e51f899070e7e46f1eacaed Mon Sep 17 00:00:00 2001 From: topepo Date: Fri, 17 Oct 2025 08:58:43 -0400 Subject: [PATCH 32/37] remove some minor warnings when the occur --- R/gp_helpers.R | 16 +++++++++++++++- tests/testthat/_snaps/GP.md | 3 --- 2 files changed, 15 insertions(+), 4 deletions(-) diff --git a/R/gp_helpers.R b/R/gp_helpers.R index 7761d5d3..a514769b 100644 --- a/R/gp_helpers.R +++ b/R/gp_helpers.R @@ -222,6 +222,20 @@ fit_gp <- function( # ------------------------------------------------------------------------------ +quiet_pred_gp <- function(object, new_data, ...) { + sssh_pred <- purrr::quietly(object$fit$pred) + res <- sssh_pred(new_data, ...) + wrn <- res$warnings + + if (length(wrn) > 0) { + wrn <- wrn[!grepl("Too small", wrn)] + for (i in seq_along(wrn)) { + cli::cli_warn("{wrn[i]}") + } + } + res$result +} + pred_gp <- function(object, pset, size = 5000, current = NULL, control) { candidates <- dials::grid_space_filling( pset, @@ -275,7 +289,7 @@ pred_gp <- function(object, pset, size = 5000, current = NULL, control) { x <- partial_encode(candidates, pset) colnames(x) <- make.names(colnames(x)) - gp_pred <- object$fit$pred(x, se.fit = TRUE) + gp_pred <- quiet_pred_gp(object, x, se.fit = TRUE) gp_pred <- tibble::as_tibble(gp_pred) |> dplyr::select(.mean = mean, .sd = se) diff --git a/tests/testthat/_snaps/GP.md b/tests/testthat/_snaps/GP.md index 94bb9bfa..9c412c44 100644 --- a/tests/testthat/_snaps/GP.md +++ b/tests/testthat/_snaps/GP.md @@ -38,7 +38,4 @@ knn_mtr, .iter = 0), control = ctrl) Message i Generating 20 candidates - Condition - Warning in `self$pred_one_matrix()`: - Too small s2 predictions are being set to 1.93149960474772e-09 (2 values, min=-0.000957105865404521). covmat is not being altered. From 07742ae7d0d8dd3dc9720908299a240c138a4bc2 Mon Sep 17 00:00:00 2001 From: topepo Date: Fri, 17 Oct 2025 08:58:53 -0400 Subject: [PATCH 33/37] capture output --- tests/testthat/test-int_pctl.R | 28 +++++++++++++++------------- 1 file changed, 15 insertions(+), 13 deletions(-) diff --git a/tests/testthat/test-int_pctl.R b/tests/testthat/test-int_pctl.R index 41e0fb0a..4710235f 100644 --- a/tests/testthat/test-int_pctl.R +++ b/tests/testthat/test-int_pctl.R @@ -115,19 +115,21 @@ test_that("percentile intervals - grid + bayes tuning", { # ------------------------------------------------------------------------------ - set.seed(92) - c5_bo_res <- - decision_tree(min_n = tune()) |> - set_engine("C5.0") |> - set_mode("classification") |> - tune_bayes( - Class ~ ., - resamples = cls_rs, - initial = c5_res, - iter = 1, - metrics = metric_set(sens), - control = control_bayes(save_pred = TRUE) - ) + expect_snapshot({ + set.seed(92) + c5_bo_res <- + decision_tree(min_n = tune()) |> + set_engine("C5.0") |> + set_mode("classification") |> + tune_bayes( + Class ~ ., + resamples = cls_rs, + initial = c5_res, + iter = 1, + metrics = metric_set(sens), + control = control_bayes(save_pred = TRUE) + ) + }) template <- dplyr::tibble( min_n = integer(0), .metric = character(0), From ed6f0c2f24a6d596ff8365751177b2c466daab10 Mon Sep 17 00:00:00 2001 From: topepo Date: Fri, 17 Oct 2025 09:19:01 -0400 Subject: [PATCH 34/37] test files names based on R file names --- tests/testthat/_snaps/{GP.md => gp_helpers.md} | 0 tests/testthat/_snaps/int_pctl.md | 11 +++++++++++ tests/testthat/_snaps/{bayes.md => tune_bayes.md} | 0 tests/testthat/{test-GP.R => test-gp_helpers.R} | 0 tests/testthat/{test-bayes.R => test-tune_bayes.R} | 0 5 files changed, 11 insertions(+) rename tests/testthat/_snaps/{GP.md => gp_helpers.md} (100%) rename tests/testthat/_snaps/{bayes.md => tune_bayes.md} (100%) rename tests/testthat/{test-GP.R => test-gp_helpers.R} (100%) rename tests/testthat/{test-bayes.R => test-tune_bayes.R} (100%) diff --git a/tests/testthat/_snaps/GP.md b/tests/testthat/_snaps/gp_helpers.md similarity index 100% rename from tests/testthat/_snaps/GP.md rename to tests/testthat/_snaps/gp_helpers.md diff --git a/tests/testthat/_snaps/int_pctl.md b/tests/testthat/_snaps/int_pctl.md index c9bb4df6..89bf1618 100644 --- a/tests/testthat/_snaps/int_pctl.md +++ b/tests/testthat/_snaps/int_pctl.md @@ -43,6 +43,17 @@ Code int_res_1 <- int_pctl(c5_res) +--- + + Code + set.seed(92) + c5_bo_res <- tune_bayes(set_mode(set_engine(decision_tree(min_n = tune()), + "C5.0"), "classification"), Class ~ ., resamples = cls_rs, initial = c5_res, + iter = 1, metrics = metric_set(sens), control = control_bayes(save_pred = TRUE)) + Message + (x) GP has a LOO R² of 3.1% and is unreliable. + i Generating a candidate as far away from existing points as possible. + # percentile intervals - grid tuning with validation set Code diff --git a/tests/testthat/_snaps/bayes.md b/tests/testthat/_snaps/tune_bayes.md similarity index 100% rename from tests/testthat/_snaps/bayes.md rename to tests/testthat/_snaps/tune_bayes.md diff --git a/tests/testthat/test-GP.R b/tests/testthat/test-gp_helpers.R similarity index 100% rename from tests/testthat/test-GP.R rename to tests/testthat/test-gp_helpers.R diff --git a/tests/testthat/test-bayes.R b/tests/testthat/test-tune_bayes.R similarity index 100% rename from tests/testthat/test-bayes.R rename to tests/testthat/test-tune_bayes.R From f23c913052e44ba811f72809eb3a8d4989605407 Mon Sep 17 00:00:00 2001 From: topepo Date: Fri, 17 Oct 2025 11:56:10 -0400 Subject: [PATCH 35/37] fix news entry --- NEWS.md | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/NEWS.md b/NEWS.md index 66a94010..450022cd 100644 --- a/NEWS.md +++ b/NEWS.md @@ -1,9 +1,5 @@ # tune (development version) -# tune 2.0.1 - -* Fixed a bug where `int_pctl()` wouldn't work on `last_fit()` outcomes when future parallelism was enabled. (#1099) - ## Breaking Changes * The Gaussian process model package was changed from \pkg{GPfit} to \pkg{GauPro} because the former is no longer actively maintained. There are some differences: @@ -12,6 +8,10 @@ - The GP no longer uses binary indicators for qualitative predictors. Instead, a "categorical kernel" is used for those parameter columns. Fewer starting values are required with this change. - For numeric predictors, the Matern 3/2 kernel is always used. +# tune 2.0.1 + +* Fixed a bug where `int_pctl()` wouldn't work on `last_fit()` outcomes when future parallelism was enabled. (#1099) + # tune 2.0.0 ## Changes to `tune_grid()`. From 940f490be490b4ee999db45a2c279f00778a7142 Mon Sep 17 00:00:00 2001 From: topepo Date: Fri, 17 Oct 2025 14:13:23 -0400 Subject: [PATCH 36/37] skip for seemingly unrelated package based on GHA results --- tests/testthat/test-tune_bayes.R | 1 + 1 file changed, 1 insertion(+) diff --git a/tests/testthat/test-tune_bayes.R b/tests/testthat/test-tune_bayes.R index 2d629974..c44681fe 100644 --- a/tests/testthat/test-tune_bayes.R +++ b/tests/testthat/test-tune_bayes.R @@ -546,6 +546,7 @@ test_that("missing performance values", { skip_if(new_rng_snapshots) skip_if(packageVersion("dplyr") < "1.1.1") skip_if_not_installed("modeldata") + skip_if_not_installed("pec") data(ames, package = "modeldata") From 15ff8c418ad6febd0d39906d08d4ddc569080ea9 Mon Sep 17 00:00:00 2001 From: Max Kuhn Date: Sat, 18 Oct 2025 09:35:03 -0400 Subject: [PATCH 37/37] Apply suggestions from code review Co-authored-by: Emil Hvitfeldt --- R/gp_helpers.R | 9 ++++----- 1 file changed, 4 insertions(+), 5 deletions(-) diff --git a/R/gp_helpers.R b/R/gp_helpers.R index a514769b..e4b54cd8 100644 --- a/R/gp_helpers.R +++ b/R/gp_helpers.R @@ -96,7 +96,7 @@ check_gp <- function(x) { color_text = get_tune_colors()$message$danger ) } - list(use = !loo_bad & !model_fail & loo_rsq > gp_threshold, rsq = loo_rsq) + list(use = !loo_bad && !model_fail && loo_rsq > gp_threshold, rsq = loo_rsq) } # encode_set() was created to work on all types of tuning parameters; usage of @@ -266,7 +266,7 @@ pred_gp <- function(object, pset, size = 5000, current = NULL, control) { return(candidates) } else { message_wrap( - paste("Generating", nrow(candidates), "candidates"), + paste("Generating", nrow(candidates), "candidates."), prefix = cli::symbol$info, color_text = get_tune_colors()$message$info ) @@ -301,8 +301,7 @@ pick_candidate <- function(results, info, control) { bad_gp <- all(is.na(results$.mean)) if (!bad_gp & info$uncertainty < control$uncertain) { results <- results |> - dplyr::arrange(dplyr::desc(objective)) |> - dplyr::slice(1) + dplyr::slice_max(objective, n = 1, with_ties = FALSE) } else { if (control$verbose_iter) { message_wrap( @@ -313,7 +312,7 @@ pick_candidate <- function(results, info, control) { } results <- results |> dplyr::arrange(dplyr::desc(.sd)) |> - dplyr::slice(1:floor(.1 * nrow(results))) |> + dplyr::slice(seq_len(floor(.1 * nrow(results)))) |> dplyr::sample_n(1) } results

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