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authorJohannes Ranke <jranke@uni-bremen.de>2022-11-14 20:03:42 +0100
committerJohannes Ranke <jranke@uni-bremen.de>2022-11-14 20:03:42 +0100
commit21ad91256dc29423bd905de5c298fd23862b1f3b (patch)
tree225e2f69ed75b96e5528bcf7b8f25eb3864b75da /tests
parent0db7df4bf632a013099b17d5e817a7dc7146c394 (diff)
Automatic starting parameters for saem.mmkin
For the case of mkin transformations. This gives faster convergence, and appears to avoid problems with numeric ODE solutions
Diffstat (limited to 'tests')
-rw-r--r--tests/testthat/_snaps/multistart/llhist-for-biphasic-saemix-fit.svg41
-rw-r--r--tests/testthat/_snaps/multistart/parplot-for-biphasic-saemix-fit.svg242
-rw-r--r--tests/testthat/_snaps/plot/mixed-model-fit-for-saem-object-with-mkin-transformations.svg2332
-rw-r--r--tests/testthat/anova_sfo_saem.txt2
-rw-r--r--tests/testthat/print_dfop_saemix_1.txt16
-rw-r--r--tests/testthat/summary_hfit_sfo_tc.txt6
-rw-r--r--tests/testthat/test_multistart.R5
-rw-r--r--tests/testthat/test_saemix_parent.R40
8 files changed, 1343 insertions, 1341 deletions
diff --git a/tests/testthat/_snaps/multistart/llhist-for-biphasic-saemix-fit.svg b/tests/testthat/_snaps/multistart/llhist-for-biphasic-saemix-fit.svg
index fe38865d..6015aed8 100644
--- a/tests/testthat/_snaps/multistart/llhist-for-biphasic-saemix-fit.svg
+++ b/tests/testthat/_snaps/multistart/llhist-for-biphasic-saemix-fit.svg
@@ -21,24 +21,28 @@
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diff --git a/tests/testthat/_snaps/multistart/parplot-for-biphasic-saemix-fit.svg b/tests/testthat/_snaps/multistart/parplot-for-biphasic-saemix-fit.svg
index 75519b07..c0332fd5 100644
--- a/tests/testthat/_snaps/multistart/parplot-for-biphasic-saemix-fit.svg
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diff --git a/tests/testthat/anova_sfo_saem.txt b/tests/testthat/anova_sfo_saem.txt
index 4a21e81f..9e4bf71f 100644
--- a/tests/testthat/anova_sfo_saem.txt
+++ b/tests/testthat/anova_sfo_saem.txt
@@ -4,4 +4,4 @@ Data: 262 observations of 1 variable(s) grouped in 15 datasets
sfo_saem_1_reduced 5 1310 1313 -650
sfo_saem_1_reduced_mkin 5 1310 1313 -650 0 0
sfo_saem_1 6 1312 1316 -650 0 1 1
-sfo_saem_1_mkin 6 1310 1315 -649 1 0
+sfo_saem_1_mkin 6 1312 1316 -650 0 0
diff --git a/tests/testthat/print_dfop_saemix_1.txt b/tests/testthat/print_dfop_saemix_1.txt
index f427b3e6..f6fda37c 100644
--- a/tests/testthat/print_dfop_saemix_1.txt
+++ b/tests/testthat/print_dfop_saemix_1.txt
@@ -13,12 +13,12 @@ Likelihood computed by importance sampling
Fitted parameters:
estimate lower upper
-parent_0 100.04 98.89 101.20
-log_k1 -4.12 -4.24 -4.00
-log_k2 -2.67 -2.90 -2.44
-g_qlogis 0.43 0.22 0.64
-a.1 0.92 0.67 1.16
+parent_0 100.09 98.94 101.25
+log_k1 -2.68 -2.91 -2.45
+log_k2 -4.12 -4.24 -4.00
+g_qlogis -0.41 -0.63 -0.20
+a.1 0.91 0.67 1.15
b.1 0.05 0.04 0.06
-SD.log_k1 0.22 0.14 0.30
-SD.log_k2 0.36 0.21 0.51
-SD.g_qlogis 0.14 -0.11 0.39
+SD.log_k1 0.36 0.21 0.50
+SD.log_k2 0.22 0.13 0.30
+SD.g_qlogis 0.15 -0.09 0.40
diff --git a/tests/testthat/summary_hfit_sfo_tc.txt b/tests/testthat/summary_hfit_sfo_tc.txt
index 49765187..41743091 100644
--- a/tests/testthat/summary_hfit_sfo_tc.txt
+++ b/tests/testthat/summary_hfit_sfo_tc.txt
@@ -32,9 +32,9 @@ Likelihood computed by importance sampling
Optimised parameters:
est. lower upper
-parent_0 101.01 99.57 102.45
+parent_0 101.02 99.58 102.46
log_k_parent -3.32 -3.53 -3.11
-a.1 0.90 0.64 1.17
+a.1 0.91 0.64 1.17
b.1 0.05 0.04 0.06
SD.log_k_parent 0.27 0.11 0.42
@@ -48,7 +48,7 @@ SD.log_k_parent 0.3 0.1 0.4
Variance model:
est. lower upper
-a.1 0.90 0.64 1.17
+a.1 0.91 0.64 1.17
b.1 0.05 0.04 0.06
Backtransformed parameters:
diff --git a/tests/testthat/test_multistart.R b/tests/testthat/test_multistart.R
index 56eb140c..c1a10d10 100644
--- a/tests/testthat/test_multistart.R
+++ b/tests/testthat/test_multistart.R
@@ -21,7 +21,10 @@ test_that("multistart works for saem.mmkin models", {
anova_biphasic <- anova(saem_biphasic_m,
best(saem_biphasic_m_multi))
- expect_true(anova_biphasic[2, "AIC"] < anova_biphasic[1, "AIC"])
+ # With the new starting parameters we do not improve
+ # with multistart any more
+ expect_equal(anova_biphasic[2, "AIC"], anova_biphasic[1, "AIC"],
+ tolerance = 1e-4)
skip_on_travis() # Plots are platform dependent
llhist_sfo <- function() llhist(saem_sfo_s_multi)
diff --git a/tests/testthat/test_saemix_parent.R b/tests/testthat/test_saemix_parent.R
index 79c5fa69..20889c6c 100644
--- a/tests/testthat/test_saemix_parent.R
+++ b/tests/testthat/test_saemix_parent.R
@@ -73,40 +73,36 @@ test_that("Parent fits using saemix are correctly implemented", {
# FOMC
mmkin_fomc_1 <- mmkin("FOMC", ds_fomc, quiet = TRUE, error_model = "tc", cores = n_cores)
fomc_saem_1 <- saem(mmkin_fomc_1, quiet = TRUE, transformations = "saemix", no_random_effect = "parent_0")
- fomc_saem_2 <- update(fomc_saem_1, transformations = "mkin")
- ci_fomc_s1 <- summary(fomc_saem_1)$confint_back
fomc_pop <- as.numeric(fomc_pop)
+ ci_fomc_s1 <- summary(fomc_saem_1)$confint_back
expect_true(all(ci_fomc_s1[, "lower"] < fomc_pop))
expect_true(all(ci_fomc_s1[, "upper"] > fomc_pop))
- expect_equal(endpoints(fomc_saem_1), endpoints(fomc_saem_2), tol = 0.01)
- mmkin_fomc_2 <- update(mmkin_fomc_1, state.ini = 100, fixed_initials = "parent")
- fomc_saem_2 <- saem(mmkin_fomc_2, quiet = TRUE, transformations = "mkin")
+ fomc_saem_2 <- update(fomc_saem_1, transformations = "mkin")
ci_fomc_s2 <- summary(fomc_saem_2)$confint_back
+ expect_true(all(ci_fomc_s2[, "lower"] < fomc_pop))
+ expect_true(all(ci_fomc_s2[, "upper"] > fomc_pop))
- expect_true(all(ci_fomc_s2[, "lower"] < fomc_pop[2:3]))
- expect_true(all(ci_fomc_s2[, "upper"] > fomc_pop[2:3]))
+ expect_equal(endpoints(fomc_saem_1), endpoints(fomc_saem_2), tol = 0.01)
# DFOP
dfop_saemix_2 <- saem(mmkin_dfop_1, quiet = TRUE, transformations = "saemix",
no_random_effect = "parent_0")
- s_dfop_s1 <- summary(dfop_saemix_1)
- s_dfop_s2 <- summary(dfop_saemix_2)
+ s_dfop_s1 <- summary(dfop_saemix_1) # mkin transformations
+ s_dfop_s2 <- summary(dfop_saemix_2) # saemix transformations
s_dfop_n <- summary(dfop_nlme_1)
dfop_pop <- as.numeric(dfop_pop)
- # When using DFOP with mkin transformations, k1 and k2 are sometimes swapped
- swap_k1_k2 <- function(p) c(p[1], p[3], p[2], 1 - p[4])
- expect_true(all(s_dfop_s1$confint_back[, "lower"] < swap_k1_k2(dfop_pop)))
- expect_true(all(s_dfop_s1$confint_back[, "upper"] > swap_k1_k2(dfop_pop)))
+ expect_true(all(s_dfop_s1$confint_back[, "lower"] < dfop_pop))
+ expect_true(all(s_dfop_s1$confint_back[, "upper"] > dfop_pop))
expect_true(all(s_dfop_s2$confint_back[, "lower"] < dfop_pop))
expect_true(all(s_dfop_s2$confint_back[, "upper"] > dfop_pop))
- # We get < 20% deviations with transformations made in mkin (need to swap k1 and k2)
- rel_diff_1 <- (swap_k1_k2(s_dfop_s1$confint_back[, "est."]) - dfop_pop) / dfop_pop
+ # We get < 20% deviations with transformations made in mkin
+ rel_diff_1 <- (s_dfop_s1$confint_back[, "est."] - dfop_pop) / dfop_pop
expect_true(all(rel_diff_1 < 0.20))
# We get < 20% deviations with transformations made in saemix
@@ -123,27 +119,21 @@ test_that("Parent fits using saemix are correctly implemented", {
transformations = "saemix")
expect_equal(
log(endpoints(dfop_saemix_1)$distimes[1:2]),
- log(endpoints(sforb_saemix_1)$distimes[1:2]), tolerance = 0.03)
+ log(endpoints(sforb_saemix_1)$distimes[1:2]), tolerance = 0.01)
expect_equal(
log(endpoints(sforb_saemix_1)$distimes[1:2]),
log(endpoints(sforb_saemix_2)$distimes[1:2]), tolerance = 0.01)
mmkin_hs_1 <- mmkin("HS", ds_hs, quiet = TRUE, error_model = "const", cores = n_cores)
- hs_saem_1 <- saem(mmkin_hs_1, quiet = TRUE)
- hs_saem_2 <- saem(mmkin_hs_1, quiet = TRUE, transformations = "mkin")
+ hs_saem_1 <- saem(mmkin_hs_1, quiet = TRUE, no_random_effect = "parent_0")
+ hs_saem_2 <- saem(mmkin_hs_1, quiet = TRUE, transformations = "mkin",
+ no_random_effect = "parent_0")
expect_equal(endpoints(hs_saem_1), endpoints(hs_saem_2), tol = 0.01)
ci_hs_s1 <- summary(hs_saem_1)$confint_back
hs_pop <- as.numeric(hs_pop)
#expect_true(all(ci_hs_s1[, "lower"] < hs_pop)) # k1 is overestimated
expect_true(all(ci_hs_s1[, "upper"] > hs_pop))
-
- mmkin_hs_2 <- update(mmkin_hs_1, state.ini = 100, fixed_initials = "parent")
- hs_saem_3 <- saem(mmkin_hs_2, quiet = TRUE)
- ci_hs_s3 <- summary(hs_saem_3)$confint_back
-
- #expect_true(all(ci_hs_s3[, "lower"] < hs_pop[2:4])) # k1 again overestimated
- expect_true(all(ci_hs_s3[, "upper"] > hs_pop[2:4]))
})
test_that("We can also use mkin solution methods for saem", {

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