# Auditing the registry against the data. # # Two levels, because the questions are different: # # dto_registry_table() -- what the registry *says*. No database, instant. # Answers "which column, which direction, what # cutoff, any blacklist" for every dataset at once. # dto_registry_audit() -- whether the data *agrees*. One scan per dataset. # Catches a column that does not exist, a cutoff that # keeps everything or nothing, and -- the failure that # is otherwise invisible -- a rank direction that is # backwards. # # The direction check works by correlating the rank column against the tiebreak # column, which is always a corroborating measure of the same binding event # (enrichment beside a p-value, peak count beside a peak score). If the spec # calls low p-values best and high enrichment best, the two must be negatively # correlated. A sign that comes back the other way means one of the two # directions is wrong. library(cli) library(dplyr) library(glue) library(tibble) .DTO_NUMERIC_TYPES <- c( "TINYINT", "SMALLINT", "INTEGER", "BIGINT", "HUGEINT", "UTINYINT", "USMALLINT", "UINTEGER", "UBIGINT", "FLOAT", "DOUBLE", "REAL", "DECIMAL" ) .is_numeric_type <- function(x) { any(vapply(.DTO_NUMERIC_TYPES, function(t) startsWith(toupper(x), t), logical(1))) } #' The registry as a table #' #' Every knob for every registered dataset, side by side. This is the fast way #' to answer "what is dataset X ranked on and which way round" -- it reads the #' registry only, so it needs no VirtualDB and no data. #' #' @param which `"binding"`, `"perturbation"` or `"both"`. #' @return A tibble, one row per registered dataset. dto_registry_table <- function(which = c("binding", "perturbation", "both")) { which <- match.arg(which) binding <- NULL if (which %in% c("binding", "both")) { binding <- bind_rows(lapply(names(BINDING_DTO_REGISTRY), function(db) { s <- BINDING_DTO_REGISTRY[[db]] tibble( side = "binding", db_name = db, rank_col = s$rank_col, direction = if (s$rank_asc) "asc (low = best)" else "desc (high = best)", tiebreak = s$tiebreak_col %||% "(target_locus_tag)", tiebreak_dir = if (s$tiebreak_asc) "asc" else "desc", sig_filter = s$sig_filter %||% "(none)", dedup_by = if (length(s$dedup_by)) { paste(s$dedup_by, collapse = ", ") } else { "(one row per sample/target)" }, blacklist = if (length(s$target_blacklist)) { paste(s$target_blacklist, collapse = " ") } else { "(none)" } ) })) } perturbation <- NULL if (which %in% c("perturbation", "both")) { # Two rows per dataset: one per output directory, so the table states # what each written file is ranked on -- and which datasets get no # pr/pvalue directory at all. perturbation <- bind_rows(lapply(names(PERTURBATION_DTO_REGISTRY), function(db) { s <- PERTURBATION_DTO_REGISTRY[[db]] has_p <- !is.null(s$pvalue_col) opts <- paste0( if (s$dedup) "dedup " else "", if (s$exclude_wt) "exclude_wt " else "", if (!is.null(s$effect_na_fill)) glue("effect_na={s$effect_na_fill} ") else "", if (!is.null(s$pvalue_na_fill)) glue("pvalue_na={s$pvalue_na_fill}") else "" ) bind_rows( tibble( side = "pert: pr/effect", db_name = db, rank_col = s$effect_col, direction = "desc (high |effect| = best)", tiebreak = s$pvalue_col %||% "(constant 0.0)", tiebreak_dir = "asc", sig_filter = s$sig_filter %||% "(none)", dedup_by = "", blacklist = opts ), tibble( side = "pert: pr/pvalue", db_name = db, rank_col = if (has_p) s$pvalue_col else "(not written: no p-value column)", direction = if (has_p) "asc (low = best)" else "", tiebreak = if (has_p) s$effect_col else "", tiebreak_dir = if (has_p) "desc" else "", sig_filter = if (has_p) s$sig_filter %||% "(none)" else "", dedup_by = "", blacklist = if (has_p) opts else "" ) ) })) } bind_rows(binding, perturbation) } # One dataset's worth of data-backed checks. Single scan, aggregates only. .audit_one <- function(vdb, db, spec, blacklist_probe) { schema <- vdb$query(glue("DESCRIBE {db}")) cols <- schema$column_name types <- setNames(schema$column_type, cols) base <- tibble( db_name = db, rank_col = spec$rank_col, direction = if (spec$rank_asc) "asc" else "desc" ) if (!spec$rank_col %in% cols) { return(bind_cols(base, tibble( status = "rank_col MISSING", n_rows = NA_real_, n_samples = NA_real_, rank_min = NA_real_, rank_med = NA_real_, rank_max = NA_real_, frac_sig = NA_real_, med_sig_per_sample = NA_real_, corr_rank_tiebreak = NA_real_, direction_ok = NA, n_probe_rows = NA_real_, n_dup_rows = NA_real_, dedup_declared = NA ))) } tb <- spec$tiebreak_col use_corr <- !is.null(tb) && tb %in% cols && .is_numeric_type(types[[tb]]) && .is_numeric_type(types[[spec$rank_col]]) tb_select <- if (use_corr) glue(", {tb}") else "" corr_expr <- if (use_corr) glue("corr({spec$rank_col}, {tb})") else "CAST(NULL AS DOUBLE)" sig <- spec$sig_filter %||% "TRUE" probe <- paste(vapply(blacklist_probe, .sql_str, character(1)), collapse = ", ") res <- vdb$query(glue(" WITH src AS ( SELECT CAST(sample_id AS VARCHAR) AS sample_id, target_locus_tag, {spec$rank_col}{tb_select} FROM {db} WHERE target_locus_tag IN (SELECT locus_tag FROM dto_universe) AND regulator_locus_tag IS NOT NULL ), agg AS ( SELECT COUNT(*) AS n_rows, MIN({spec$rank_col}) AS rank_min, MEDIAN({spec$rank_col}) AS rank_med, MAX({spec$rank_col}) AS rank_max, COUNT(*) FILTER (WHERE {sig}) / NULLIF(COUNT(*), 0)::DOUBLE AS frac_sig, COUNT(*) FILTER (WHERE target_locus_tag IN ({probe})) AS n_probe_rows, COUNT(*) - COUNT(DISTINCT sample_id || '|' || target_locus_tag) AS n_dup_rows, {corr_expr} AS corr_rank_tiebreak FROM src ), per_sample AS ( SELECT sample_id, COUNT(*) FILTER (WHERE {sig}) AS n_sig FROM src GROUP BY sample_id ), samp AS ( SELECT COUNT(*) AS n_samples, MEDIAN(n_sig) AS med_sig_per_sample FROM per_sample ) SELECT * FROM agg, samp ")) # Better-is-low for the rank column iff rank_asc; same for the tiebreak. # Agreeing directions must correlate positively, opposing ones negatively. expect_positive <- identical(spec$rank_asc, spec$tiebreak_asc) corr <- res$corr_rank_tiebreak[[1]] direction_ok <- if (is.na(corr)) NA else (corr > 0) == expect_positive bind_cols(base, tibble(status = "ok"), as_tibble(res[, c( "n_rows", "n_samples", "rank_min", "rank_med", "rank_max", "frac_sig", "med_sig_per_sample", "corr_rank_tiebreak", "n_probe_rows", "n_dup_rows" )]), tibble( direction_ok = direction_ok, dedup_declared = length(spec$dedup_by) > 0 )) } #' Check every registered binding dataset against its data #' #' `n_probe_rows` is not a blacklist that is applied -- it counts rows matching #' `blacklist_probe` so the cost of switching one on is visible before you do. #' `n_dup_rows` counts rows a `dedup_by` would collapse: how far the dataset is #' from one row per (`sample_id`, `target_locus_tag`). #' No dataset currently sets `target_blacklist`; see the comment on #' `CC_TARGET_BLACKLIST` in registry.R for why. #' #' @param vdb A VirtualDB handle with `dto_universe` registered. #' @param dbs Binding db_names to audit. Defaults to the whole registry. #' @param blacklist_probe Locus tags to count occurrences of. #' @return A tibble, one row per dataset. dto_registry_audit <- function(vdb, dbs = names(BINDING_DTO_REGISTRY), blacklist_probe = CC_TARGET_BLACKLIST) { out <- bind_rows(lapply(dbs, function(db) { spec <- BINDING_DTO_REGISTRY[[db]] if (is.null(spec)) cli_abort("No BINDING_DTO_REGISTRY entry for {.val {db}}.") cli_alert_info("auditing {db} ...") .audit_one(vdb, db, spec, blacklist_probe) })) bad <- out$db_name[!is.na(out$direction_ok) & !out$direction_ok] missing <- out$db_name[out$status != "ok"] # Duplicate (sample, target) rows with no dedup_by are the silent failure: # the target appears twice in its ranked list and twice in the scope the # perturbation side is filtered against. undeduped <- out$db_name[!is.na(out$n_dup_rows) & out$n_dup_rows > 0 & !is.na(out$dedup_declared) & !out$dedup_declared] if (length(missing)) { cli_alert_danger("rank_col does not exist in: {.val {missing}}") } if (length(bad)) { cli_alert_danger( "rank direction disagrees with the tiebreak column in: {.val {bad}}" ) } if (length(undeduped)) { cli_alert_danger(c( "Repeated (sample_id, target_locus_tag) rows and no {.arg dedup_by}: ", "{.val {undeduped}}" )) } if (!length(bad) && !length(missing) && !length(undeduped)) { cli_alert_success( "All {nrow(out)} binding datasets: column exists, direction consistent, one row per sample/target." ) } out } #' What truncation costs the staged pair #' #' Compares the two policies on the *uncapped* lists for the staged pair: #' #' * `"rank"` -- `rank_value <= max_rows`. Keeps whole rank blocks, so no tie is #' ever split, but a list can come out longer than `max_rows` rows. #' * `"row"` -- `sort_key <= max_rows`. Never longer than `max_rows` rows, but #' the boundary can land inside a block of tied ranks and keep an arbitrary #' subset of equals; `n_samples_tie_split` and `max_tied_rows_lost` count that. #' #' Both bound the thing the cap is actually for: DTO scales with the square of #' the number of *distinct* ranks, so `med_ranks_full / med_ranks_kept` squared #' is the rough speedup, and it is the same for either policy. #' #' Requires a pair staged with `dto_stage_pair()`. #' #' @param vdb A VirtualDB handle. #' @param max_rows The cap to evaluate. #' @param ranking Perturbation ranking to evaluate. #' @return A tibble, one row per side. dto_tie_split_report <- function(vdb, max_rows = 300, ranking = c("effect", "pvalue")) { if (is.null(.dto_stage$binding_db)) { cli_abort("Nothing staged. Call {.code dto_stage_pair(vdb, binding_db, pert_db)} first.") } ranking <- match.arg(ranking) n <- as.integer(max_rows) one <- function(side, list_sql) { res <- vdb$query(glue(" WITH l AS ({list_sql}), marked AS ( SELECT sample_id, rank_value, sort_key, MAX(CASE WHEN sort_key = {n} THEN rank_value END) OVER (PARTITION BY sample_id) AS boundary FROM l ), per_sample AS ( SELECT sample_id, COUNT(*) AS rows_full, COUNT(DISTINCT rank_value) AS ranks_full, COUNT(*) FILTER (WHERE rank_value <= {n}) AS rows_rank, COUNT(DISTINCT rank_value) FILTER (WHERE rank_value <= {n}) AS ranks_rank, COUNT(*) FILTER (WHERE sort_key <= {n}) AS rows_row, COUNT(*) FILTER (WHERE sort_key > {n} AND rank_value = boundary) AS split_lost FROM marked GROUP BY sample_id ) SELECT COUNT(*) AS n_samples, MEDIAN(rows_full) AS med_rows_full, MEDIAN(ranks_full) AS med_ranks_full, MEDIAN(rows_rank) AS med_rows_kept_rank, MAX(rows_rank) AS max_rows_kept_rank, MEDIAN(ranks_rank) AS med_ranks_kept, MEDIAN(rows_row) AS med_rows_kept_row, COUNT(*) FILTER (WHERE split_lost > 0) AS n_samples_tie_split, MAX(split_lost) AS max_tied_rows_lost FROM per_sample ")) bind_cols(tibble(side = side), .as_tbl(res)) } out <- bind_rows( one("binding", dto_binding_list_sql(.dto_stage$b_spec)), one(paste0("perturbation (", ranking, ")"), dto_pert_list_sql(.dto_stage$p_spec, ranking)) ) out$approx_speedup <- round((out$med_ranks_full / out$med_ranks_kept)^2, 1) out }