diff --git a/src/petab/parameters.jl b/src/petab/parameters.jl index 8fdf6c5..4330572 100644 --- a/src/petab/parameters.jl +++ b/src/petab/parameters.jl @@ -141,7 +141,7 @@ function save_parameters_table( net_ids = @. string(_net_ids) * "_ps" df_nn = DataFrame( parameterId = net_ids, parameterScale = :lin, lowerBound = "-inf", - upperBound = "inf", nominalValue = "array", estimate = Int(estimate_net_parameters) + upperBound = "inf", nominalValue = "array", estimate = string(estimate_net_parameters) ) df_save = vcat(df_mech, df_nn, cols = :union) diff --git a/src/petab/yaml.jl b/src/petab/yaml.jl index 0956483..9afb1c3 100644 --- a/src/petab/yaml.jl +++ b/src/petab/yaml.jl @@ -3,7 +3,7 @@ function save_petab_yaml( condition_table_id::Symbol ) yaml_dict = Dict( - :format_version => 2, + :format_version => "2.0.0", :measurement_files => ["measurements.tsv"], :experiment_files => ["experiments.tsv"], :observable_files => ["observables.tsv"], @@ -24,7 +24,9 @@ function save_petab_yaml( ext = Dict( :hybridization_files => ["hybridization.tsv"], :neural_nets => Dict(), - :array_files => String[] + :array_files => String[], + :version => "0.1.0", + :required => true ) for (net_id, net_info) in nets_info ext[:neural_nets][net_id] = Dict( diff --git a/test_cases/initialization/001/net1_ref.hdf5 b/test_cases/initialization/001/net1_ref.hdf5 index 4e75b37..bb7c50a 100644 Binary files a/test_cases/initialization/001/net1_ref.hdf5 and b/test_cases/initialization/001/net1_ref.hdf5 differ diff --git a/test_cases/initialization/001/petab/parameters.tsv b/test_cases/initialization/001/petab/parameters.tsv index db703ff..98b6f55 100644 --- a/test_cases/initialization/001/petab/parameters.tsv +++ b/test_cases/initialization/001/petab/parameters.tsv @@ -1,6 +1,6 @@ parameterId parameterScale lowerBound upperBound nominalValue estimate -alpha lin 0.0 15.0 1.3 1 -delta lin 0.0 15.0 1.8 1 -beta lin 0.0 15.0 0.9 1 -net1_layer1 lin -inf inf 0.0 1 -net1_ps lin -inf inf array 1 +alpha lin 0.0 15.0 1.3 true +delta lin 0.0 15.0 1.8 true +beta lin 0.0 15.0 0.9 true +net1_layer1 lin -inf inf 0.0 true +net1_ps lin -inf inf array true diff --git a/test_cases/initialization/001/petab/problem.yaml b/test_cases/initialization/001/petab/problem.yaml index 4377bf4..4e2b5ab 100644 --- a/test_cases/initialization/001/petab/problem.yaml +++ b/test_cases/initialization/001/petab/problem.yaml @@ -6,7 +6,7 @@ measurement_files: - "measurements.tsv" observable_files: - "observables.tsv" -format_version: 2 +format_version: "2.0.0" experiment_files: - "experiments.tsv" parameter_files: @@ -17,8 +17,10 @@ extensions: sciml: array_files: - "net1_ps.hdf5" + version: "0.1.0" hybridization_files: - "hybridization.tsv" + required: true neural_nets: net1: location: "net1.yaml" diff --git a/test_cases/initialization/002/net1_ref.hdf5 b/test_cases/initialization/002/net1_ref.hdf5 index 0fd8fb0..8e5762d 100644 Binary files a/test_cases/initialization/002/net1_ref.hdf5 and b/test_cases/initialization/002/net1_ref.hdf5 differ diff --git a/test_cases/initialization/002/petab/parameters.tsv b/test_cases/initialization/002/petab/parameters.tsv index db703ff..98b6f55 100644 --- a/test_cases/initialization/002/petab/parameters.tsv +++ b/test_cases/initialization/002/petab/parameters.tsv @@ -1,6 +1,6 @@ parameterId parameterScale lowerBound upperBound nominalValue estimate -alpha lin 0.0 15.0 1.3 1 -delta lin 0.0 15.0 1.8 1 -beta lin 0.0 15.0 0.9 1 -net1_layer1 lin -inf inf 0.0 1 -net1_ps lin -inf inf array 1 +alpha lin 0.0 15.0 1.3 true +delta lin 0.0 15.0 1.8 true +beta lin 0.0 15.0 0.9 true +net1_layer1 lin -inf inf 0.0 true +net1_ps lin -inf inf array true diff --git a/test_cases/initialization/002/petab/problem.yaml b/test_cases/initialization/002/petab/problem.yaml index 4377bf4..4e2b5ab 100644 --- a/test_cases/initialization/002/petab/problem.yaml +++ b/test_cases/initialization/002/petab/problem.yaml @@ -6,7 +6,7 @@ measurement_files: - "measurements.tsv" observable_files: - "observables.tsv" -format_version: 2 +format_version: "2.0.0" experiment_files: - "experiments.tsv" parameter_files: @@ -17,8 +17,10 @@ extensions: sciml: array_files: - "net1_ps.hdf5" + version: "0.1.0" hybridization_files: - "hybridization.tsv" + required: true neural_nets: net1: location: "net1.yaml" diff --git a/test_cases/initialization/003/net1_ref.hdf5 b/test_cases/initialization/003/net1_ref.hdf5 index 3eda11f..98a0b25 100644 Binary files a/test_cases/initialization/003/net1_ref.hdf5 and b/test_cases/initialization/003/net1_ref.hdf5 differ diff --git a/test_cases/initialization/003/petab/parameters.tsv b/test_cases/initialization/003/petab/parameters.tsv index db703ff..98b6f55 100644 --- a/test_cases/initialization/003/petab/parameters.tsv +++ b/test_cases/initialization/003/petab/parameters.tsv @@ -1,6 +1,6 @@ parameterId parameterScale lowerBound upperBound nominalValue estimate -alpha lin 0.0 15.0 1.3 1 -delta lin 0.0 15.0 1.8 1 -beta lin 0.0 15.0 0.9 1 -net1_layer1 lin -inf inf 0.0 1 -net1_ps lin -inf inf array 1 +alpha lin 0.0 15.0 1.3 true +delta lin 0.0 15.0 1.8 true +beta lin 0.0 15.0 0.9 true +net1_layer1 lin -inf inf 0.0 true +net1_ps lin -inf inf array true diff --git a/test_cases/initialization/003/petab/problem.yaml b/test_cases/initialization/003/petab/problem.yaml index 4377bf4..4e2b5ab 100644 --- a/test_cases/initialization/003/petab/problem.yaml +++ b/test_cases/initialization/003/petab/problem.yaml @@ -6,7 +6,7 @@ measurement_files: - "measurements.tsv" observable_files: - "observables.tsv" -format_version: 2 +format_version: "2.0.0" experiment_files: - "experiments.tsv" parameter_files: @@ -17,8 +17,10 @@ extensions: sciml: array_files: - "net1_ps.hdf5" + version: "0.1.0" hybridization_files: - "hybridization.tsv" + required: true neural_nets: net1: location: "net1.yaml" diff --git a/test_cases/sciml_problem_import/001/grad_mech.tsv b/test_cases/sciml_problem_import/001/grad_mech.tsv index 8dd5bd5..e6059b2 100644 --- a/test_cases/sciml_problem_import/001/grad_mech.tsv +++ b/test_cases/sciml_problem_import/001/grad_mech.tsv @@ -1,4 +1,4 @@ parameterId value -alpha 2538.780077320352 +alpha 2538.7800773211884 delta 573.6670521169216 beta -2188.7753333246887 diff --git a/test_cases/sciml_problem_import/001/grad_net1.hdf5 b/test_cases/sciml_problem_import/001/grad_net1.hdf5 index 67701a9..31e53f2 100644 Binary files a/test_cases/sciml_problem_import/001/grad_net1.hdf5 and b/test_cases/sciml_problem_import/001/grad_net1.hdf5 differ diff --git a/test_cases/sciml_problem_import/001/petab/parameters.tsv b/test_cases/sciml_problem_import/001/petab/parameters.tsv index e855e0d..dcaf68d 100644 --- a/test_cases/sciml_problem_import/001/petab/parameters.tsv +++ b/test_cases/sciml_problem_import/001/petab/parameters.tsv @@ -1,5 +1,5 @@ parameterId parameterScale lowerBound upperBound nominalValue estimate -alpha lin 0.0 15.0 1.3 1 -delta lin 0.0 15.0 1.8 1 -beta lin 0.0 15.0 0.9 1 -net1_ps lin -inf inf array 1 +alpha lin 0.0 15.0 1.3 true +delta lin 0.0 15.0 1.8 true +beta lin 0.0 15.0 0.9 true +net1_ps lin -inf inf array true diff --git a/test_cases/sciml_problem_import/001/petab/problem.yaml b/test_cases/sciml_problem_import/001/petab/problem.yaml index 4377bf4..4e2b5ab 100644 --- a/test_cases/sciml_problem_import/001/petab/problem.yaml +++ b/test_cases/sciml_problem_import/001/petab/problem.yaml @@ -6,7 +6,7 @@ measurement_files: - "measurements.tsv" observable_files: - "observables.tsv" -format_version: 2 +format_version: "2.0.0" experiment_files: - "experiments.tsv" parameter_files: @@ -17,8 +17,10 @@ extensions: sciml: array_files: - "net1_ps.hdf5" + version: "0.1.0" hybridization_files: - "hybridization.tsv" + required: true neural_nets: net1: location: "net1.yaml" diff --git a/test_cases/sciml_problem_import/002/grad_net1.hdf5 b/test_cases/sciml_problem_import/002/grad_net1.hdf5 index 3dd2530..8cb3a97 100644 Binary files a/test_cases/sciml_problem_import/002/grad_net1.hdf5 and b/test_cases/sciml_problem_import/002/grad_net1.hdf5 differ diff --git a/test_cases/sciml_problem_import/002/petab/parameters.tsv b/test_cases/sciml_problem_import/002/petab/parameters.tsv index cd46c68..92f25e5 100644 --- a/test_cases/sciml_problem_import/002/petab/parameters.tsv +++ b/test_cases/sciml_problem_import/002/petab/parameters.tsv @@ -1,7 +1,7 @@ parameterId parameterScale lowerBound upperBound nominalValue estimate -alpha lin 0.0 15.0 1.3 1 -delta lin 0.0 15.0 1.8 1 -beta lin 0.0 15.0 0.9 1 -net1_input_pre1 lin -inf inf 1.0 0 -net1_input_pre2 lin -inf inf 1.0 0 -net1_ps lin -inf inf array 1 +alpha lin 0.0 15.0 1.3 true +delta lin 0.0 15.0 1.8 true +beta lin 0.0 15.0 0.9 true +net1_input_pre1 lin -inf inf 1.0 false +net1_input_pre2 lin -inf inf 1.0 false +net1_ps lin -inf inf array true diff --git a/test_cases/sciml_problem_import/002/petab/problem.yaml b/test_cases/sciml_problem_import/002/petab/problem.yaml index 8fd38b4..fc2aac9 100644 --- a/test_cases/sciml_problem_import/002/petab/problem.yaml +++ b/test_cases/sciml_problem_import/002/petab/problem.yaml @@ -6,7 +6,7 @@ measurement_files: - "measurements.tsv" observable_files: - "observables.tsv" -format_version: 2 +format_version: "2.0.0" experiment_files: - "experiments.tsv" parameter_files: @@ -17,8 +17,10 @@ extensions: sciml: array_files: - "net1_ps.hdf5" + version: "0.1.0" hybridization_files: - "hybridization.tsv" + required: true neural_nets: net1: location: "net1.yaml" diff --git a/test_cases/sciml_problem_import/003/grad_mech.tsv b/test_cases/sciml_problem_import/003/grad_mech.tsv index 52287b9..9b09567 100644 --- a/test_cases/sciml_problem_import/003/grad_mech.tsv +++ b/test_cases/sciml_problem_import/003/grad_mech.tsv @@ -1,4 +1,4 @@ parameterId value alpha 1484.100432040707 -delta 304.6815498857698 -beta -984.3538661871829 +delta 304.6815497521852 +beta -984.3538661871895 diff --git a/test_cases/sciml_problem_import/003/grad_net1.hdf5 b/test_cases/sciml_problem_import/003/grad_net1.hdf5 index f27bbc0..fa073fa 100644 Binary files a/test_cases/sciml_problem_import/003/grad_net1.hdf5 and b/test_cases/sciml_problem_import/003/grad_net1.hdf5 differ diff --git a/test_cases/sciml_problem_import/003/petab/parameters.tsv b/test_cases/sciml_problem_import/003/petab/parameters.tsv index cd46c68..92f25e5 100644 --- a/test_cases/sciml_problem_import/003/petab/parameters.tsv +++ b/test_cases/sciml_problem_import/003/petab/parameters.tsv @@ -1,7 +1,7 @@ parameterId parameterScale lowerBound upperBound nominalValue estimate -alpha lin 0.0 15.0 1.3 1 -delta lin 0.0 15.0 1.8 1 -beta lin 0.0 15.0 0.9 1 -net1_input_pre1 lin -inf inf 1.0 0 -net1_input_pre2 lin -inf inf 1.0 0 -net1_ps lin -inf inf array 1 +alpha lin 0.0 15.0 1.3 true +delta lin 0.0 15.0 1.8 true +beta lin 0.0 15.0 0.9 true +net1_input_pre1 lin -inf inf 1.0 false +net1_input_pre2 lin -inf inf 1.0 false +net1_ps lin -inf inf array true diff --git a/test_cases/sciml_problem_import/003/petab/problem.yaml b/test_cases/sciml_problem_import/003/petab/problem.yaml index 2a3535c..3a770ad 100644 --- a/test_cases/sciml_problem_import/003/petab/problem.yaml +++ b/test_cases/sciml_problem_import/003/petab/problem.yaml @@ -6,7 +6,7 @@ measurement_files: - "measurements.tsv" observable_files: - "observables.tsv" -format_version: 2 +format_version: "2.0.0" experiment_files: - "experiments.tsv" parameter_files: @@ -19,8 +19,10 @@ extensions: sciml: array_files: - "net1_ps.hdf5" + version: "0.1.0" hybridization_files: - "hybridization.tsv" + required: true neural_nets: net1: location: "net1.yaml" diff --git a/test_cases/sciml_problem_import/004/grad_mech.tsv b/test_cases/sciml_problem_import/004/grad_mech.tsv index 8fe693e..475d0a6 100644 --- a/test_cases/sciml_problem_import/004/grad_mech.tsv +++ b/test_cases/sciml_problem_import/004/grad_mech.tsv @@ -1,5 +1,5 @@ parameterId value alpha 1348.3832160092732 -delta 398.79444240316656 +delta 398.79444240445616 beta -839.2207939522068 gamma 431.5736554673321 diff --git a/test_cases/sciml_problem_import/004/grad_net1.hdf5 b/test_cases/sciml_problem_import/004/grad_net1.hdf5 index 566d181..7ff2006 100644 Binary files a/test_cases/sciml_problem_import/004/grad_net1.hdf5 and b/test_cases/sciml_problem_import/004/grad_net1.hdf5 differ diff --git a/test_cases/sciml_problem_import/004/petab/parameters.tsv b/test_cases/sciml_problem_import/004/petab/parameters.tsv index be9420a..beaaa4c 100644 --- a/test_cases/sciml_problem_import/004/petab/parameters.tsv +++ b/test_cases/sciml_problem_import/004/petab/parameters.tsv @@ -1,6 +1,6 @@ parameterId parameterScale lowerBound upperBound nominalValue estimate -alpha lin 0.0 15.0 1.3 1 -delta lin 0.0 15.0 1.8 1 -beta lin 0.0 15.0 0.9 1 -gamma lin 0.0 15.0 0.8 1 -net1_ps lin -inf inf array 1 +alpha lin 0.0 15.0 1.3 true +delta lin 0.0 15.0 1.8 true +beta lin 0.0 15.0 0.9 true +gamma lin 0.0 15.0 0.8 true +net1_ps lin -inf inf array true diff --git a/test_cases/sciml_problem_import/004/petab/problem.yaml b/test_cases/sciml_problem_import/004/petab/problem.yaml index 4377bf4..4e2b5ab 100644 --- a/test_cases/sciml_problem_import/004/petab/problem.yaml +++ b/test_cases/sciml_problem_import/004/petab/problem.yaml @@ -6,7 +6,7 @@ measurement_files: - "measurements.tsv" observable_files: - "observables.tsv" -format_version: 2 +format_version: "2.0.0" experiment_files: - "experiments.tsv" parameter_files: @@ -17,8 +17,10 @@ extensions: sciml: array_files: - "net1_ps.hdf5" + version: "0.1.0" hybridization_files: - "hybridization.tsv" + required: true neural_nets: net1: location: "net1.yaml" diff --git a/test_cases/sciml_problem_import/005/grad_mech.tsv b/test_cases/sciml_problem_import/005/grad_mech.tsv index 6174c73..bf86182 100644 --- a/test_cases/sciml_problem_import/005/grad_mech.tsv +++ b/test_cases/sciml_problem_import/005/grad_mech.tsv @@ -1,4 +1,4 @@ parameterId value -alpha 1352.7284608871203 -delta 390.6311104263574 +alpha 1352.7284608871169 +delta 390.6311104716752 beta -827.8898414562375 diff --git a/test_cases/sciml_problem_import/005/grad_net1.hdf5 b/test_cases/sciml_problem_import/005/grad_net1.hdf5 index b8097a3..36cf459 100644 Binary files a/test_cases/sciml_problem_import/005/grad_net1.hdf5 and b/test_cases/sciml_problem_import/005/grad_net1.hdf5 differ diff --git a/test_cases/sciml_problem_import/005/petab/parameters.tsv b/test_cases/sciml_problem_import/005/petab/parameters.tsv index c27b0ca..6e34385 100644 --- a/test_cases/sciml_problem_import/005/petab/parameters.tsv +++ b/test_cases/sciml_problem_import/005/petab/parameters.tsv @@ -1,6 +1,6 @@ parameterId parameterScale lowerBound upperBound nominalValue estimate -alpha lin 0.0 15.0 1.3 1 -delta lin 0.0 15.0 1.8 1 -beta lin 0.0 15.0 0.9 1 -net1_input_pre1 lin -inf inf 1.0 0 -net1_ps lin -inf inf array 1 +alpha lin 0.0 15.0 1.3 true +delta lin 0.0 15.0 1.8 true +beta lin 0.0 15.0 0.9 true +net1_input_pre1 lin -inf inf 1.0 false +net1_ps lin -inf inf array true diff --git a/test_cases/sciml_problem_import/005/petab/problem.yaml b/test_cases/sciml_problem_import/005/petab/problem.yaml index 8fd38b4..fc2aac9 100644 --- a/test_cases/sciml_problem_import/005/petab/problem.yaml +++ b/test_cases/sciml_problem_import/005/petab/problem.yaml @@ -6,7 +6,7 @@ measurement_files: - "measurements.tsv" observable_files: - "observables.tsv" -format_version: 2 +format_version: "2.0.0" experiment_files: - "experiments.tsv" parameter_files: @@ -17,8 +17,10 @@ extensions: sciml: array_files: - "net1_ps.hdf5" + version: "0.1.0" hybridization_files: - "hybridization.tsv" + required: true neural_nets: net1: location: "net1.yaml" diff --git a/test_cases/sciml_problem_import/006/grad_net1.hdf5 b/test_cases/sciml_problem_import/006/grad_net1.hdf5 index 2556133..e161efc 100644 Binary files a/test_cases/sciml_problem_import/006/grad_net1.hdf5 and b/test_cases/sciml_problem_import/006/grad_net1.hdf5 differ diff --git a/test_cases/sciml_problem_import/006/petab/parameters.tsv b/test_cases/sciml_problem_import/006/petab/parameters.tsv index 0ab6069..911672d 100644 --- a/test_cases/sciml_problem_import/006/petab/parameters.tsv +++ b/test_cases/sciml_problem_import/006/petab/parameters.tsv @@ -1,7 +1,7 @@ parameterId parameterScale lowerBound upperBound nominalValue estimate -alpha lin 0.0 15.0 1.3 1 -delta lin 0.0 15.0 1.8 1 -beta lin 0.0 15.0 0.9 1 -net1_input_pre1 lin -inf inf 1.0 0 -net1_input_pre2_est lin -inf inf 1.0 1 -net1_ps lin -inf inf array 1 +alpha lin 0.0 15.0 1.3 true +delta lin 0.0 15.0 1.8 true +beta lin 0.0 15.0 0.9 true +net1_input_pre1 lin -inf inf 1.0 false +net1_input_pre2_est lin -inf inf 1.0 true +net1_ps lin -inf inf array true diff --git a/test_cases/sciml_problem_import/006/petab/problem.yaml b/test_cases/sciml_problem_import/006/petab/problem.yaml index 8fd38b4..fc2aac9 100644 --- a/test_cases/sciml_problem_import/006/petab/problem.yaml +++ b/test_cases/sciml_problem_import/006/petab/problem.yaml @@ -6,7 +6,7 @@ measurement_files: - "measurements.tsv" observable_files: - "observables.tsv" -format_version: 2 +format_version: "2.0.0" experiment_files: - "experiments.tsv" parameter_files: @@ -17,8 +17,10 @@ extensions: sciml: array_files: - "net1_ps.hdf5" + version: "0.1.0" hybridization_files: - "hybridization.tsv" + required: true neural_nets: net1: location: "net1.yaml" diff --git a/test_cases/sciml_problem_import/007/grad_mech.tsv b/test_cases/sciml_problem_import/007/grad_mech.tsv index 09f4051..2ec8230 100644 --- a/test_cases/sciml_problem_import/007/grad_mech.tsv +++ b/test_cases/sciml_problem_import/007/grad_mech.tsv @@ -1,5 +1,5 @@ parameterId value alpha 1328.8285975146716 delta 390.63111035285544 -beta -827.8898414812052 +beta -827.8898414813021 gamma 432.5840252762772 diff --git a/test_cases/sciml_problem_import/007/grad_net1.hdf5 b/test_cases/sciml_problem_import/007/grad_net1.hdf5 index 2e80dc6..7aaba47 100644 Binary files a/test_cases/sciml_problem_import/007/grad_net1.hdf5 and b/test_cases/sciml_problem_import/007/grad_net1.hdf5 differ diff --git a/test_cases/sciml_problem_import/007/petab/parameters.tsv b/test_cases/sciml_problem_import/007/petab/parameters.tsv index 7ee45df..eb89c2f 100644 --- a/test_cases/sciml_problem_import/007/petab/parameters.tsv +++ b/test_cases/sciml_problem_import/007/petab/parameters.tsv @@ -1,8 +1,8 @@ parameterId parameterScale lowerBound upperBound nominalValue estimate -alpha lin 0.0 15.0 1.3 1 -delta lin 0.0 15.0 1.8 1 -beta lin 0.0 15.0 0.9 1 -gamma lin 0.0 15.0 0.8 1 -net1_input_pre1 lin -inf inf 1.0 0 -net1_input_pre2 lin -inf inf 1.0 0 -net1_ps lin -inf inf array 1 +alpha lin 0.0 15.0 1.3 true +delta lin 0.0 15.0 1.8 true +beta lin 0.0 15.0 0.9 true +gamma lin 0.0 15.0 0.8 true +net1_input_pre1 lin -inf inf 1.0 false +net1_input_pre2 lin -inf inf 1.0 false +net1_ps lin -inf inf array true diff --git a/test_cases/sciml_problem_import/007/petab/problem.yaml b/test_cases/sciml_problem_import/007/petab/problem.yaml index 8fd38b4..fc2aac9 100644 --- a/test_cases/sciml_problem_import/007/petab/problem.yaml +++ b/test_cases/sciml_problem_import/007/petab/problem.yaml @@ -6,7 +6,7 @@ measurement_files: - "measurements.tsv" observable_files: - "observables.tsv" -format_version: 2 +format_version: "2.0.0" experiment_files: - "experiments.tsv" parameter_files: @@ -17,8 +17,10 @@ extensions: sciml: array_files: - "net1_ps.hdf5" + version: "0.1.0" hybridization_files: - "hybridization.tsv" + required: true neural_nets: net1: location: "net1.yaml" diff --git a/test_cases/sciml_problem_import/007/simulations.tsv b/test_cases/sciml_problem_import/007/simulations.tsv index f1e1549..3e05df3 100644 --- a/test_cases/sciml_problem_import/007/simulations.tsv +++ b/test_cases/sciml_problem_import/007/simulations.tsv @@ -1,6 +1,6 @@ observableId experimentId simulation time prey_o e1 0.19964323441282392 1.0 -prey_o e1 0.48425346211988823 2.0 +prey_o e1 0.4842534621198883 2.0 prey_o e1 1.606351205697663 3.0 prey_o e1 5.49413965595464 4.0 prey_o e1 3.078213487078405 5.0 @@ -10,7 +10,7 @@ prey_o e1 0.9041408036541226 8.0 prey_o e1 3.1091319914981947 9.0 prey_o e1 8.851586911027294 10.0 predator_o e1 0.9224424008593018 1.0 -predator_o e1 0.19470291525643205 2.0 +predator_o e1 0.19470291525643207 2.0 predator_o e1 0.06760604257225777 3.0 predator_o e1 0.1418700352798915 4.0 predator_o e1 6.698671429685438 5.0 diff --git a/test_cases/sciml_problem_import/008/grad_net1.hdf5 b/test_cases/sciml_problem_import/008/grad_net1.hdf5 index a9cdee9..c36d4fa 100644 Binary files a/test_cases/sciml_problem_import/008/grad_net1.hdf5 and b/test_cases/sciml_problem_import/008/grad_net1.hdf5 differ diff --git a/test_cases/sciml_problem_import/008/grad_net2.hdf5 b/test_cases/sciml_problem_import/008/grad_net2.hdf5 index fa7def8..ed83ebf 100644 Binary files a/test_cases/sciml_problem_import/008/grad_net2.hdf5 and b/test_cases/sciml_problem_import/008/grad_net2.hdf5 differ diff --git a/test_cases/sciml_problem_import/008/petab/parameters.tsv b/test_cases/sciml_problem_import/008/petab/parameters.tsv index 41c005b..81fcaa9 100644 --- a/test_cases/sciml_problem_import/008/petab/parameters.tsv +++ b/test_cases/sciml_problem_import/008/petab/parameters.tsv @@ -1,9 +1,9 @@ parameterId parameterScale lowerBound upperBound nominalValue estimate -alpha lin 0.0 15.0 1.3 1 -delta lin 0.0 15.0 1.8 1 -net1_input_pre1 lin -inf inf 1.0 0 -net1_input_pre2 lin -inf inf 1.0 0 -net2_input_pre1 lin -inf inf 2.0 0 -net2_input_pre2 lin -inf inf 2.0 0 -net2_ps lin -inf inf array 1 -net1_ps lin -inf inf array 1 +alpha lin 0.0 15.0 1.3 true +delta lin 0.0 15.0 1.8 true +net1_input_pre1 lin -inf inf 1.0 false +net1_input_pre2 lin -inf inf 1.0 false +net2_input_pre1 lin -inf inf 2.0 false +net2_input_pre2 lin -inf inf 2.0 false +net2_ps lin -inf inf array true +net1_ps lin -inf inf array true diff --git a/test_cases/sciml_problem_import/008/petab/problem.yaml b/test_cases/sciml_problem_import/008/petab/problem.yaml index a77d8b5..34274d2 100644 --- a/test_cases/sciml_problem_import/008/petab/problem.yaml +++ b/test_cases/sciml_problem_import/008/petab/problem.yaml @@ -6,7 +6,7 @@ measurement_files: - "measurements.tsv" observable_files: - "observables.tsv" -format_version: 2 +format_version: "2.0.0" experiment_files: - "experiments.tsv" parameter_files: @@ -18,8 +18,10 @@ extensions: array_files: - "net2_ps.hdf5" - "net1_ps.hdf5" + version: "0.1.0" hybridization_files: - "hybridization.tsv" + required: true neural_nets: net2: location: "net2.yaml" diff --git a/test_cases/sciml_problem_import/009/grad_mech.tsv b/test_cases/sciml_problem_import/009/grad_mech.tsv index fef5615..2021bbb 100644 --- a/test_cases/sciml_problem_import/009/grad_mech.tsv +++ b/test_cases/sciml_problem_import/009/grad_mech.tsv @@ -1,5 +1,5 @@ parameterId value alpha 1343.6843979788944 -delta 398.79451866705796 +delta 398.7945185515232 beta -839.2209563508285 gamma 431.5737260861462 diff --git a/test_cases/sciml_problem_import/009/grad_net1.hdf5 b/test_cases/sciml_problem_import/009/grad_net1.hdf5 index 83cf753..04a836a 100644 Binary files a/test_cases/sciml_problem_import/009/grad_net1.hdf5 and b/test_cases/sciml_problem_import/009/grad_net1.hdf5 differ diff --git a/test_cases/sciml_problem_import/009/grad_net2.hdf5 b/test_cases/sciml_problem_import/009/grad_net2.hdf5 index 9bee960..e54928c 100644 Binary files a/test_cases/sciml_problem_import/009/grad_net2.hdf5 and b/test_cases/sciml_problem_import/009/grad_net2.hdf5 differ diff --git a/test_cases/sciml_problem_import/009/petab/parameters.tsv b/test_cases/sciml_problem_import/009/petab/parameters.tsv index c1ea121..9f36006 100644 --- a/test_cases/sciml_problem_import/009/petab/parameters.tsv +++ b/test_cases/sciml_problem_import/009/petab/parameters.tsv @@ -1,7 +1,7 @@ parameterId parameterScale lowerBound upperBound nominalValue estimate -alpha lin 0.0 15.0 1.3 1 -delta lin 0.0 15.0 1.8 1 -beta lin 0.0 15.0 0.9 1 -gamma lin 0.0 15.0 0.8 1 -net2_ps lin -inf inf array 1 -net1_ps lin -inf inf array 1 +alpha lin 0.0 15.0 1.3 true +delta lin 0.0 15.0 1.8 true +beta lin 0.0 15.0 0.9 true +gamma lin 0.0 15.0 0.8 true +net2_ps lin -inf inf array true +net1_ps lin -inf inf array true diff --git a/test_cases/sciml_problem_import/009/petab/problem.yaml b/test_cases/sciml_problem_import/009/petab/problem.yaml index 57a520f..34a4de4 100644 --- a/test_cases/sciml_problem_import/009/petab/problem.yaml +++ b/test_cases/sciml_problem_import/009/petab/problem.yaml @@ -6,7 +6,7 @@ measurement_files: - "measurements.tsv" observable_files: - "observables.tsv" -format_version: 2 +format_version: "2.0.0" experiment_files: - "experiments.tsv" parameter_files: @@ -18,8 +18,10 @@ extensions: array_files: - "net2_ps.hdf5" - "net1_ps.hdf5" + version: "0.1.0" hybridization_files: - "hybridization.tsv" + required: true neural_nets: net2: location: "net2.yaml" diff --git a/test_cases/sciml_problem_import/010/grad_mech.tsv b/test_cases/sciml_problem_import/010/grad_mech.tsv index 8caa9e8..c27e72e 100644 --- a/test_cases/sciml_problem_import/010/grad_mech.tsv +++ b/test_cases/sciml_problem_import/010/grad_mech.tsv @@ -1,3 +1,3 @@ parameterId value delta 573.9959237481935 -beta -2187.6029761424024 +beta -2187.6029761434265 diff --git a/test_cases/sciml_problem_import/010/grad_net1.hdf5 b/test_cases/sciml_problem_import/010/grad_net1.hdf5 index 722978f..77b8036 100644 Binary files a/test_cases/sciml_problem_import/010/grad_net1.hdf5 and b/test_cases/sciml_problem_import/010/grad_net1.hdf5 differ diff --git a/test_cases/sciml_problem_import/010/grad_net2.hdf5 b/test_cases/sciml_problem_import/010/grad_net2.hdf5 index 4a3f5e9..2d7ac72 100644 Binary files a/test_cases/sciml_problem_import/010/grad_net2.hdf5 and b/test_cases/sciml_problem_import/010/grad_net2.hdf5 differ diff --git a/test_cases/sciml_problem_import/010/petab/parameters.tsv b/test_cases/sciml_problem_import/010/petab/parameters.tsv index 3f0c3ac..844e7b0 100644 --- a/test_cases/sciml_problem_import/010/petab/parameters.tsv +++ b/test_cases/sciml_problem_import/010/petab/parameters.tsv @@ -1,5 +1,5 @@ parameterId parameterScale lowerBound upperBound nominalValue estimate -delta lin 0.0 15.0 1.8 1 -beta lin 0.0 15.0 0.9 1 -net2_ps lin -inf inf array 1 -net1_ps lin -inf inf array 1 +delta lin 0.0 15.0 1.8 true +beta lin 0.0 15.0 0.9 true +net2_ps lin -inf inf array true +net1_ps lin -inf inf array true diff --git a/test_cases/sciml_problem_import/010/petab/problem.yaml b/test_cases/sciml_problem_import/010/petab/problem.yaml index 57a520f..34a4de4 100644 --- a/test_cases/sciml_problem_import/010/petab/problem.yaml +++ b/test_cases/sciml_problem_import/010/petab/problem.yaml @@ -6,7 +6,7 @@ measurement_files: - "measurements.tsv" observable_files: - "observables.tsv" -format_version: 2 +format_version: "2.0.0" experiment_files: - "experiments.tsv" parameter_files: @@ -18,8 +18,10 @@ extensions: array_files: - "net2_ps.hdf5" - "net1_ps.hdf5" + version: "0.1.0" hybridization_files: - "hybridization.tsv" + required: true neural_nets: net2: location: "net2.yaml" diff --git a/test_cases/sciml_problem_import/011/grad_mech.tsv b/test_cases/sciml_problem_import/011/grad_mech.tsv index 92c8f3d..0212be1 100644 --- a/test_cases/sciml_problem_import/011/grad_mech.tsv +++ b/test_cases/sciml_problem_import/011/grad_mech.tsv @@ -1,3 +1,3 @@ parameterId value -alpha 2538.780077320352 +alpha 2538.7800773211884 delta 573.6670521169216 diff --git a/test_cases/sciml_problem_import/011/grad_net1.hdf5 b/test_cases/sciml_problem_import/011/grad_net1.hdf5 index a947c33..8fb0ca8 100644 Binary files a/test_cases/sciml_problem_import/011/grad_net1.hdf5 and b/test_cases/sciml_problem_import/011/grad_net1.hdf5 differ diff --git a/test_cases/sciml_problem_import/011/grad_net2.hdf5 b/test_cases/sciml_problem_import/011/grad_net2.hdf5 index 3065a75..666235e 100644 Binary files a/test_cases/sciml_problem_import/011/grad_net2.hdf5 and b/test_cases/sciml_problem_import/011/grad_net2.hdf5 differ diff --git a/test_cases/sciml_problem_import/011/petab/parameters.tsv b/test_cases/sciml_problem_import/011/petab/parameters.tsv index 5cbaefb..d760c4e 100644 --- a/test_cases/sciml_problem_import/011/petab/parameters.tsv +++ b/test_cases/sciml_problem_import/011/petab/parameters.tsv @@ -1,7 +1,7 @@ parameterId parameterScale lowerBound upperBound nominalValue estimate -alpha lin 0.0 15.0 1.3 1 -delta lin 0.0 15.0 1.8 1 -net2_input_pre1 lin -inf inf 2.0 0 -net2_input_pre2 lin -inf inf 2.0 0 -net2_ps lin -inf inf array 1 -net1_ps lin -inf inf array 1 +alpha lin 0.0 15.0 1.3 true +delta lin 0.0 15.0 1.8 true +net2_input_pre1 lin -inf inf 2.0 false +net2_input_pre2 lin -inf inf 2.0 false +net2_ps lin -inf inf array true +net1_ps lin -inf inf array true diff --git a/test_cases/sciml_problem_import/011/petab/problem.yaml b/test_cases/sciml_problem_import/011/petab/problem.yaml index a74ffa8..3adb1ee 100644 --- a/test_cases/sciml_problem_import/011/petab/problem.yaml +++ b/test_cases/sciml_problem_import/011/petab/problem.yaml @@ -6,7 +6,7 @@ measurement_files: - "measurements.tsv" observable_files: - "observables.tsv" -format_version: 2 +format_version: "2.0.0" experiment_files: - "experiments.tsv" parameter_files: @@ -18,8 +18,10 @@ extensions: array_files: - "net2_ps.hdf5" - "net1_ps.hdf5" + version: "0.1.0" hybridization_files: - "hybridization.tsv" + required: true neural_nets: net2: location: "net2.yaml" diff --git a/test_cases/sciml_problem_import/012/grad_mech.tsv b/test_cases/sciml_problem_import/012/grad_mech.tsv index 60cbe8a..48599c5 100644 --- a/test_cases/sciml_problem_import/012/grad_mech.tsv +++ b/test_cases/sciml_problem_import/012/grad_mech.tsv @@ -1,4 +1,4 @@ parameterId value -alpha 2533.760727413523 +alpha 2533.7607274122674 delta 573.6673195176297 beta -2188.7736160798177 diff --git a/test_cases/sciml_problem_import/012/grad_net1.hdf5 b/test_cases/sciml_problem_import/012/grad_net1.hdf5 index 3ec5c4f..a4c10bb 100644 Binary files a/test_cases/sciml_problem_import/012/grad_net1.hdf5 and b/test_cases/sciml_problem_import/012/grad_net1.hdf5 differ diff --git a/test_cases/sciml_problem_import/012/grad_net2.hdf5 b/test_cases/sciml_problem_import/012/grad_net2.hdf5 index 4cf45d1..eac12ea 100644 Binary files a/test_cases/sciml_problem_import/012/grad_net2.hdf5 and b/test_cases/sciml_problem_import/012/grad_net2.hdf5 differ diff --git a/test_cases/sciml_problem_import/012/petab/parameters.tsv b/test_cases/sciml_problem_import/012/petab/parameters.tsv index ba6b383..8deb459 100644 --- a/test_cases/sciml_problem_import/012/petab/parameters.tsv +++ b/test_cases/sciml_problem_import/012/petab/parameters.tsv @@ -1,6 +1,6 @@ parameterId parameterScale lowerBound upperBound nominalValue estimate -alpha lin 0.0 15.0 1.3 1 -delta lin 0.0 15.0 1.8 1 -beta lin 0.0 15.0 0.9 1 -net2_ps lin -inf inf array 1 -net1_ps lin -inf inf array 1 +alpha lin 0.0 15.0 1.3 true +delta lin 0.0 15.0 1.8 true +beta lin 0.0 15.0 0.9 true +net2_ps lin -inf inf array true +net1_ps lin -inf inf array true diff --git a/test_cases/sciml_problem_import/012/petab/problem.yaml b/test_cases/sciml_problem_import/012/petab/problem.yaml index 57a520f..34a4de4 100644 --- a/test_cases/sciml_problem_import/012/petab/problem.yaml +++ b/test_cases/sciml_problem_import/012/petab/problem.yaml @@ -6,7 +6,7 @@ measurement_files: - "measurements.tsv" observable_files: - "observables.tsv" -format_version: 2 +format_version: "2.0.0" experiment_files: - "experiments.tsv" parameter_files: @@ -18,8 +18,10 @@ extensions: array_files: - "net2_ps.hdf5" - "net1_ps.hdf5" + version: "0.1.0" hybridization_files: - "hybridization.tsv" + required: true neural_nets: net2: location: "net2.yaml" diff --git a/test_cases/sciml_problem_import/013/grad_net1.hdf5 b/test_cases/sciml_problem_import/013/grad_net1.hdf5 index 7a3b5d6..92dbd65 100644 Binary files a/test_cases/sciml_problem_import/013/grad_net1.hdf5 and b/test_cases/sciml_problem_import/013/grad_net1.hdf5 differ diff --git a/test_cases/sciml_problem_import/013/grad_net2.hdf5 b/test_cases/sciml_problem_import/013/grad_net2.hdf5 index feb25ad..d86252d 100644 Binary files a/test_cases/sciml_problem_import/013/grad_net2.hdf5 and b/test_cases/sciml_problem_import/013/grad_net2.hdf5 differ diff --git a/test_cases/sciml_problem_import/013/petab/parameters.tsv b/test_cases/sciml_problem_import/013/petab/parameters.tsv index 755aa15..22f1ed1 100644 --- a/test_cases/sciml_problem_import/013/petab/parameters.tsv +++ b/test_cases/sciml_problem_import/013/petab/parameters.tsv @@ -1,8 +1,8 @@ parameterId parameterScale lowerBound upperBound nominalValue estimate -alpha lin 0.0 15.0 1.3 1 -delta lin 0.0 15.0 1.8 1 -beta lin 0.0 15.0 0.9 1 -net1_input_pre1 lin -inf inf 1.0 0 -net1_input_pre2 lin -inf inf 1.0 0 -net2_ps lin -inf inf array 1 -net1_ps lin -inf inf array 1 +alpha lin 0.0 15.0 1.3 true +delta lin 0.0 15.0 1.8 true +beta lin 0.0 15.0 0.9 true +net1_input_pre1 lin -inf inf 1.0 false +net1_input_pre2 lin -inf inf 1.0 false +net2_ps lin -inf inf array true +net1_ps lin -inf inf array true diff --git a/test_cases/sciml_problem_import/013/petab/problem.yaml b/test_cases/sciml_problem_import/013/petab/problem.yaml index 07516f8..e1e03c8 100644 --- a/test_cases/sciml_problem_import/013/petab/problem.yaml +++ b/test_cases/sciml_problem_import/013/petab/problem.yaml @@ -6,7 +6,7 @@ measurement_files: - "measurements.tsv" observable_files: - "observables.tsv" -format_version: 2 +format_version: "2.0.0" experiment_files: - "experiments.tsv" parameter_files: @@ -18,8 +18,10 @@ extensions: array_files: - "net2_ps.hdf5" - "net1_ps.hdf5" + version: "0.1.0" hybridization_files: - "hybridization.tsv" + required: true neural_nets: net2: location: "net2.yaml" diff --git a/test_cases/sciml_problem_import/014/grad_mech.tsv b/test_cases/sciml_problem_import/014/grad_mech.tsv index 6fc58bc..283eb49 100644 --- a/test_cases/sciml_problem_import/014/grad_mech.tsv +++ b/test_cases/sciml_problem_import/014/grad_mech.tsv @@ -1,4 +1,4 @@ parameterId value -alpha 1328.8285973923125 -delta 390.6311105385793 -beta -827.8898418064447 +alpha 1328.8285976140432 +delta 390.6311104716752 +beta -827.8898414562375 diff --git a/test_cases/sciml_problem_import/014/grad_net3.hdf5 b/test_cases/sciml_problem_import/014/grad_net3.hdf5 index 7808e69..1d51689 100644 Binary files a/test_cases/sciml_problem_import/014/grad_net3.hdf5 and b/test_cases/sciml_problem_import/014/grad_net3.hdf5 differ diff --git a/test_cases/sciml_problem_import/014/petab/parameters.tsv b/test_cases/sciml_problem_import/014/petab/parameters.tsv index 88ead60..66c4ee4 100644 --- a/test_cases/sciml_problem_import/014/petab/parameters.tsv +++ b/test_cases/sciml_problem_import/014/petab/parameters.tsv @@ -1,5 +1,5 @@ parameterId parameterScale lowerBound upperBound nominalValue estimate -alpha lin 0.0 15.0 1.3 1 -delta lin 0.0 15.0 1.8 1 -beta lin 0.0 15.0 0.9 1 -net3_ps lin -inf inf array 1 +alpha lin 0.0 15.0 1.3 true +delta lin 0.0 15.0 1.8 true +beta lin 0.0 15.0 0.9 true +net3_ps lin -inf inf array true diff --git a/test_cases/sciml_problem_import/014/petab/problem.yaml b/test_cases/sciml_problem_import/014/petab/problem.yaml index f73ed2f..901a34c 100644 --- a/test_cases/sciml_problem_import/014/petab/problem.yaml +++ b/test_cases/sciml_problem_import/014/petab/problem.yaml @@ -6,7 +6,7 @@ measurement_files: - "measurements.tsv" observable_files: - "observables.tsv" -format_version: 2 +format_version: "2.0.0" experiment_files: - "experiments.tsv" parameter_files: @@ -18,8 +18,10 @@ extensions: array_files: - "net3_ps.hdf5" - "net3_input1.hdf5" + version: "0.1.0" hybridization_files: - "hybridization.tsv" + required: true neural_nets: net3: location: "net3.yaml" diff --git a/test_cases/sciml_problem_import/014/simulations.tsv b/test_cases/sciml_problem_import/014/simulations.tsv index 6b2d713..a4e435f 100644 --- a/test_cases/sciml_problem_import/014/simulations.tsv +++ b/test_cases/sciml_problem_import/014/simulations.tsv @@ -1,21 +1,21 @@ observableId experimentId simulation time -prey_o e1 0.1996432344128231 1.0 -prey_o e1 0.4842534621198982 2.0 -prey_o e1 1.6063512056977 3.0 -prey_o e1 5.494139655954648 4.0 -prey_o e1 3.078213487078415 5.0 -prey_o e1 0.19515376127176481 6.0 -prey_o e1 0.29649755227373153 7.0 -prey_o e1 0.9041408036540782 8.0 -prey_o e1 3.10913199149817 9.0 -prey_o e1 8.851586911027294 10.0 -predator_o e1 0.9224424008593197 1.0 -predator_o e1 0.19470291525642644 2.0 -predator_o e1 0.06760604257225629 3.0 -predator_o e1 0.1418700352798924 4.0 -predator_o e1 6.698671429685438 5.0 -predator_o e1 1.9955511106531993 6.0 -predator_o e1 0.3922752142581838 7.0 -predator_o e1 0.09942290206371006 8.0 -predator_o e1 0.06834921504989715 9.0 -predator_o e1 1.2238133862048879 10.0 +prey_o e1 0.19964323441282023 1.0 +prey_o e1 0.4842534621198607 2.0 +prey_o e1 1.6063512056973333 3.0 +prey_o e1 5.494139655954669 4.0 +prey_o e1 3.0782134870784272 5.0 +prey_o e1 0.19515376127175768 6.0 +prey_o e1 0.2964975522737117 7.0 +prey_o e1 0.9041408036540876 8.0 +prey_o e1 3.1091319914980744 9.0 +prey_o e1 8.851586911027413 10.0 +predator_o e1 0.9224424008593343 1.0 +predator_o e1 0.19470291525644529 2.0 +predator_o e1 0.06760604257226344 3.0 +predator_o e1 0.14187003527988604 4.0 +predator_o e1 6.698671429685512 5.0 +predator_o e1 1.9955511106531847 6.0 +predator_o e1 0.3922752142581998 7.0 +predator_o e1 0.0994229020637052 8.0 +predator_o e1 0.06834921504989125 9.0 +predator_o e1 1.2238133862046814 10.0 diff --git a/test_cases/sciml_problem_import/014/solutions.yaml b/test_cases/sciml_problem_import/014/solutions.yaml index 11467b4..0f809d2 100644 --- a/test_cases/sciml_problem_import/014/solutions.yaml +++ b/test_cases/sciml_problem_import/014/solutions.yaml @@ -4,6 +4,6 @@ tol_grad: 0.1 grad_files: mech: "grad_mech.tsv" net3: "grad_net3.hdf5" -llh: 33.306381502951396 +llh: 33.3063815029473 tol_simulations: 0.001 tol_llh: 0.001 diff --git a/test_cases/sciml_problem_import/015/grad_mech.tsv b/test_cases/sciml_problem_import/015/grad_mech.tsv index f20cea9..f37760d 100644 --- a/test_cases/sciml_problem_import/015/grad_mech.tsv +++ b/test_cases/sciml_problem_import/015/grad_mech.tsv @@ -1,4 +1,4 @@ parameterId value -alpha 1484.35600690352 -delta 304.7728387882481 -beta -984.4987605162647 +alpha 1484.356007051502 +delta 304.7728389355431 +beta -984.4987606926684 diff --git a/test_cases/sciml_problem_import/015/grad_net3.hdf5 b/test_cases/sciml_problem_import/015/grad_net3.hdf5 index 66391c4..98ec69d 100644 Binary files a/test_cases/sciml_problem_import/015/grad_net3.hdf5 and b/test_cases/sciml_problem_import/015/grad_net3.hdf5 differ diff --git a/test_cases/sciml_problem_import/015/petab/parameters.tsv b/test_cases/sciml_problem_import/015/petab/parameters.tsv index 88ead60..66c4ee4 100644 --- a/test_cases/sciml_problem_import/015/petab/parameters.tsv +++ b/test_cases/sciml_problem_import/015/petab/parameters.tsv @@ -1,5 +1,5 @@ parameterId parameterScale lowerBound upperBound nominalValue estimate -alpha lin 0.0 15.0 1.3 1 -delta lin 0.0 15.0 1.8 1 -beta lin 0.0 15.0 0.9 1 -net3_ps lin -inf inf array 1 +alpha lin 0.0 15.0 1.3 true +delta lin 0.0 15.0 1.8 true +beta lin 0.0 15.0 0.9 true +net3_ps lin -inf inf array true diff --git a/test_cases/sciml_problem_import/015/petab/problem.yaml b/test_cases/sciml_problem_import/015/petab/problem.yaml index 7f5cf4b..74b20ca 100644 --- a/test_cases/sciml_problem_import/015/petab/problem.yaml +++ b/test_cases/sciml_problem_import/015/petab/problem.yaml @@ -6,7 +6,7 @@ measurement_files: - "measurements.tsv" observable_files: - "observables.tsv" -format_version: 2 +format_version: "2.0.0" experiment_files: - "experiments.tsv" parameter_files: @@ -18,8 +18,10 @@ extensions: array_files: - "net3_ps.hdf5" - "net3_input2.hdf5" + version: "0.1.0" hybridization_files: - "hybridization.tsv" + required: true neural_nets: net3: location: "net3.yaml" diff --git a/test_cases/sciml_problem_import/015/simulations.tsv b/test_cases/sciml_problem_import/015/simulations.tsv index 9941bc2..869536a 100644 --- a/test_cases/sciml_problem_import/015/simulations.tsv +++ b/test_cases/sciml_problem_import/015/simulations.tsv @@ -1,41 +1,41 @@ observableId experimentId simulation time -prey_o e1 0.1996432213599251 1.0 -prey_o e1 0.4842534122931591 2.0 -prey_o e1 1.606351007036983 3.0 -prey_o e1 5.494138728583467 4.0 -prey_o e1 3.0782089229068963 5.0 -prey_o e1 0.1951537276033331 6.0 -prey_o e1 0.29649760449871376 7.0 -prey_o e1 0.9041410068561255 8.0 -prey_o e1 3.109132642131885 9.0 -prey_o e1 8.851583477989651 10.0 -predator_o e1 0.9224424633341638 1.0 -predator_o e1 0.19470294266203902 2.0 -predator_o e1 0.06760606576802042 3.0 -predator_o e1 0.14187017213641684 4.0 -predator_o e1 6.698671661725177 5.0 -predator_o e1 1.9955502786844945 6.0 -predator_o e1 0.39227508144331347 7.0 -predator_o e1 0.0994228939653806 8.0 -predator_o e1 0.06834926869480501 9.0 -predator_o e1 1.223816858674027 10.0 +prey_o e1 0.1996432213599237 1.0 +prey_o e1 0.48425341229315494 2.0 +prey_o e1 1.6063510070368017 3.0 +prey_o e1 5.494138728583478 4.0 +prey_o e1 3.078208922906972 5.0 +prey_o e1 0.19515372760332517 6.0 +prey_o e1 0.29649760449869456 7.0 +prey_o e1 0.9041410068561169 8.0 +prey_o e1 3.109132642131626 9.0 +prey_o e1 8.851583477989726 10.0 +predator_o e1 0.9224424633341811 1.0 +predator_o e1 0.19470294266203983 2.0 +predator_o e1 0.06760606576802435 3.0 +predator_o e1 0.14187017213641487 4.0 +predator_o e1 6.698671661725244 5.0 +predator_o e1 1.9955502786844843 6.0 +predator_o e1 0.392275081443328 7.0 +predator_o e1 0.09942289396537778 8.0 +predator_o e1 0.06834926869479717 9.0 +predator_o e1 1.2238168586737321 10.0 prey_o e2 0.19136749240335596 1.0 -prey_o e2 0.45308487158172284 2.0 -prey_o e2 1.4827794389191593 3.0 -prey_o e2 4.908416225540576 4.0 -prey_o e2 1.4092350639279347 5.0 -prey_o e2 0.18130167962774593 6.0 -prey_o e2 0.3253179190549205 7.0 -prey_o e2 1.0131210339737602 8.0 -prey_o e2 3.4292206201803155 9.0 -prey_o e2 4.863230857407191 10.0 -predator_o e2 0.9628324437183196 1.0 -predator_o e2 0.2123555154084897 2.0 -predator_o e2 0.08303065274093115 3.0 -predator_o e2 0.24730200729200888 4.0 -predator_o e2 6.320932815298152 5.0 -predator_o e2 1.5953488983625213 6.0 -predator_o e2 0.3304382377783172 7.0 -predator_o e2 0.09913253198176014 8.0 -predator_o e2 0.11917759593869119 9.0 -predator_o e2 4.455220054220248 10.0 +prey_o e2 0.45308487158172256 2.0 +prey_o e2 1.482779438919158 3.0 +prey_o e2 4.908416225540572 4.0 +prey_o e2 1.4092350639280227 5.0 +prey_o e2 0.18130167962774174 6.0 +prey_o e2 0.32531791905494656 7.0 +prey_o e2 1.0131210339736951 8.0 +prey_o e2 3.4292206201802005 9.0 +prey_o e2 4.8632308574076095 10.0 +predator_o e2 0.9628324437183179 1.0 +predator_o e2 0.21235551540848976 2.0 +predator_o e2 0.0830306527409313 3.0 +predator_o e2 0.2473020072920063 4.0 +predator_o e2 6.320932815298211 5.0 +predator_o e2 1.5953488983625406 6.0 +predator_o e2 0.33043823777827247 7.0 +predator_o e2 0.09913253198176049 8.0 +predator_o e2 0.11917759593869 9.0 +predator_o e2 4.455220054219919 10.0 diff --git a/test_cases/sciml_problem_import/015/solutions.yaml b/test_cases/sciml_problem_import/015/solutions.yaml index f911ded..9b8d0ff 100644 --- a/test_cases/sciml_problem_import/015/solutions.yaml +++ b/test_cases/sciml_problem_import/015/solutions.yaml @@ -4,6 +4,6 @@ tol_grad: 0.1 grad_files: mech: "grad_mech.tsv" net3: "grad_net3.hdf5" -llh: 68.96501052725615 +llh: 68.96501052725134 tol_simulations: 0.001 tol_llh: 0.001 diff --git a/test_cases/sciml_problem_import/016/grad_mech.tsv b/test_cases/sciml_problem_import/016/grad_mech.tsv index 8dd5bd5..e6059b2 100644 --- a/test_cases/sciml_problem_import/016/grad_mech.tsv +++ b/test_cases/sciml_problem_import/016/grad_mech.tsv @@ -1,4 +1,4 @@ parameterId value -alpha 2538.780077320352 +alpha 2538.7800773211884 delta 573.6670521169216 beta -2188.7753333246887 diff --git a/test_cases/sciml_problem_import/016/petab/parameters.tsv b/test_cases/sciml_problem_import/016/petab/parameters.tsv index 35e6b6d..4551ac7 100644 --- a/test_cases/sciml_problem_import/016/petab/parameters.tsv +++ b/test_cases/sciml_problem_import/016/petab/parameters.tsv @@ -1,5 +1,5 @@ parameterId parameterScale lowerBound upperBound nominalValue estimate -alpha lin 0.0 15.0 1.3 1 -delta lin 0.0 15.0 1.8 1 -beta lin 0.0 15.0 0.9 1 -net1_ps lin -inf inf array 0 +alpha lin 0.0 15.0 1.3 true +delta lin 0.0 15.0 1.8 true +beta lin 0.0 15.0 0.9 true +net1_ps lin -inf inf array false diff --git a/test_cases/sciml_problem_import/016/petab/problem.yaml b/test_cases/sciml_problem_import/016/petab/problem.yaml index 4377bf4..4e2b5ab 100644 --- a/test_cases/sciml_problem_import/016/petab/problem.yaml +++ b/test_cases/sciml_problem_import/016/petab/problem.yaml @@ -6,7 +6,7 @@ measurement_files: - "measurements.tsv" observable_files: - "observables.tsv" -format_version: 2 +format_version: "2.0.0" experiment_files: - "experiments.tsv" parameter_files: @@ -17,8 +17,10 @@ extensions: sciml: array_files: - "net1_ps.hdf5" + version: "0.1.0" hybridization_files: - "hybridization.tsv" + required: true neural_nets: net1: location: "net1.yaml" diff --git a/test_cases/sciml_problem_import/017/petab/parameters.tsv b/test_cases/sciml_problem_import/017/petab/parameters.tsv index 4e1c9b7..d934a33 100644 --- a/test_cases/sciml_problem_import/017/petab/parameters.tsv +++ b/test_cases/sciml_problem_import/017/petab/parameters.tsv @@ -1,7 +1,7 @@ parameterId parameterScale lowerBound upperBound nominalValue estimate -alpha lin 0.0 15.0 1.3 1 -delta lin 0.0 15.0 1.8 1 -beta lin 0.0 15.0 0.9 1 -net1_input_pre1 lin -inf inf 1.0 0 -net1_input_pre2 lin -inf inf 1.0 0 -net1_ps lin -inf inf array 0 +alpha lin 0.0 15.0 1.3 true +delta lin 0.0 15.0 1.8 true +beta lin 0.0 15.0 0.9 true +net1_input_pre1 lin -inf inf 1.0 false +net1_input_pre2 lin -inf inf 1.0 false +net1_ps lin -inf inf array false diff --git a/test_cases/sciml_problem_import/017/petab/problem.yaml b/test_cases/sciml_problem_import/017/petab/problem.yaml index 8fd38b4..fc2aac9 100644 --- a/test_cases/sciml_problem_import/017/petab/problem.yaml +++ b/test_cases/sciml_problem_import/017/petab/problem.yaml @@ -6,7 +6,7 @@ measurement_files: - "measurements.tsv" observable_files: - "observables.tsv" -format_version: 2 +format_version: "2.0.0" experiment_files: - "experiments.tsv" parameter_files: @@ -17,8 +17,10 @@ extensions: sciml: array_files: - "net1_ps.hdf5" + version: "0.1.0" hybridization_files: - "hybridization.tsv" + required: true neural_nets: net1: location: "net1.yaml" diff --git a/test_cases/sciml_problem_import/018/grad_mech.tsv b/test_cases/sciml_problem_import/018/grad_mech.tsv index 8fe693e..475d0a6 100644 --- a/test_cases/sciml_problem_import/018/grad_mech.tsv +++ b/test_cases/sciml_problem_import/018/grad_mech.tsv @@ -1,5 +1,5 @@ parameterId value alpha 1348.3832160092732 -delta 398.79444240316656 +delta 398.79444240445616 beta -839.2207939522068 gamma 431.5736554673321 diff --git a/test_cases/sciml_problem_import/018/petab/parameters.tsv b/test_cases/sciml_problem_import/018/petab/parameters.tsv index 6c6db2b..8304e59 100644 --- a/test_cases/sciml_problem_import/018/petab/parameters.tsv +++ b/test_cases/sciml_problem_import/018/petab/parameters.tsv @@ -1,6 +1,6 @@ parameterId parameterScale lowerBound upperBound nominalValue estimate -alpha lin 0.0 15.0 1.3 1 -delta lin 0.0 15.0 1.8 1 -beta lin 0.0 15.0 0.9 1 -gamma lin 0.0 15.0 0.8 1 -net1_ps lin -inf inf array 0 +alpha lin 0.0 15.0 1.3 true +delta lin 0.0 15.0 1.8 true +beta lin 0.0 15.0 0.9 true +gamma lin 0.0 15.0 0.8 true +net1_ps lin -inf inf array false diff --git a/test_cases/sciml_problem_import/018/petab/problem.yaml b/test_cases/sciml_problem_import/018/petab/problem.yaml index 4377bf4..4e2b5ab 100644 --- a/test_cases/sciml_problem_import/018/petab/problem.yaml +++ b/test_cases/sciml_problem_import/018/petab/problem.yaml @@ -6,7 +6,7 @@ measurement_files: - "measurements.tsv" observable_files: - "observables.tsv" -format_version: 2 +format_version: "2.0.0" experiment_files: - "experiments.tsv" parameter_files: @@ -17,8 +17,10 @@ extensions: sciml: array_files: - "net1_ps.hdf5" + version: "0.1.0" hybridization_files: - "hybridization.tsv" + required: true neural_nets: net1: location: "net1.yaml" diff --git a/test_cases/sciml_problem_import/019/grad_mech.tsv b/test_cases/sciml_problem_import/019/grad_mech.tsv index f86a7e8..813ea11 100644 --- a/test_cases/sciml_problem_import/019/grad_mech.tsv +++ b/test_cases/sciml_problem_import/019/grad_mech.tsv @@ -1,3 +1,3 @@ parameterId value delta 432.80892943594046 -beta -1062.1699857385913 +beta -1062.1699857385877 diff --git a/test_cases/sciml_problem_import/019/grad_net4.hdf5 b/test_cases/sciml_problem_import/019/grad_net4.hdf5 index 48e0c22..18a6f61 100644 Binary files a/test_cases/sciml_problem_import/019/grad_net4.hdf5 and b/test_cases/sciml_problem_import/019/grad_net4.hdf5 differ diff --git a/test_cases/sciml_problem_import/019/petab/parameters.tsv b/test_cases/sciml_problem_import/019/petab/parameters.tsv index ef42a14..edb38ae 100644 --- a/test_cases/sciml_problem_import/019/petab/parameters.tsv +++ b/test_cases/sciml_problem_import/019/petab/parameters.tsv @@ -1,4 +1,4 @@ parameterId parameterScale lowerBound upperBound nominalValue estimate -delta lin 0.0 15.0 1.8 1 -beta lin 0.0 15.0 0.9 1 -net4_ps lin -inf inf array 1 +delta lin 0.0 15.0 1.8 true +beta lin 0.0 15.0 0.9 true +net4_ps lin -inf inf array true diff --git a/test_cases/sciml_problem_import/019/petab/problem.yaml b/test_cases/sciml_problem_import/019/petab/problem.yaml index c7941fb..700cfe7 100644 --- a/test_cases/sciml_problem_import/019/petab/problem.yaml +++ b/test_cases/sciml_problem_import/019/petab/problem.yaml @@ -6,7 +6,7 @@ measurement_files: - "measurements.tsv" observable_files: - "observables.tsv" -format_version: 2 +format_version: "2.0.0" experiment_files: - "experiments.tsv" parameter_files: @@ -17,8 +17,10 @@ extensions: sciml: array_files: - "net4_ps.hdf5" + version: "0.1.0" hybridization_files: - "hybridization.tsv" + required: true neural_nets: net4: location: "net4.yaml" diff --git a/test_cases/sciml_problem_import/019/simulations.tsv b/test_cases/sciml_problem_import/019/simulations.tsv index 62f0f07..717273c 100644 --- a/test_cases/sciml_problem_import/019/simulations.tsv +++ b/test_cases/sciml_problem_import/019/simulations.tsv @@ -16,6 +16,6 @@ predator_o e1 0.11848161421915242 4.0 predator_o e1 6.6592286673751655 5.0 predator_o e1 1.9979001134744026 6.0 predator_o e1 0.390972827191549 7.0 -predator_o e1 0.09182437675988887 8.0 +predator_o e1 0.09182437675988889 8.0 predator_o e1 0.07516129994864439 9.0 predator_o e1 1.221754332337903 10.0 diff --git a/test_cases/sciml_problem_import/020/grad_mech.tsv b/test_cases/sciml_problem_import/020/grad_mech.tsv index a861d42..4cd9e5b 100644 --- a/test_cases/sciml_problem_import/020/grad_mech.tsv +++ b/test_cases/sciml_problem_import/020/grad_mech.tsv @@ -1,5 +1,5 @@ parameterId value alpha 1330.0184817447196 -delta 382.7943289062745 +delta 382.7943287566048 beta -830.0079162287896 gamma 428.2868258207031 diff --git a/test_cases/sciml_problem_import/020/grad_net4.hdf5 b/test_cases/sciml_problem_import/020/grad_net4.hdf5 index 9415bd0..f003c95 100644 Binary files a/test_cases/sciml_problem_import/020/grad_net4.hdf5 and b/test_cases/sciml_problem_import/020/grad_net4.hdf5 differ diff --git a/test_cases/sciml_problem_import/020/petab/parameters.tsv b/test_cases/sciml_problem_import/020/petab/parameters.tsv index f68daa3..adbcd53 100644 --- a/test_cases/sciml_problem_import/020/petab/parameters.tsv +++ b/test_cases/sciml_problem_import/020/petab/parameters.tsv @@ -1,6 +1,6 @@ parameterId parameterScale lowerBound upperBound nominalValue estimate -alpha lin 0.0 15.0 1.3 1 -delta lin 0.0 15.0 1.8 1 -beta lin 0.0 15.0 0.9 1 -gamma lin 0.0 15.0 0.8 1 -net4_ps lin -inf inf array 1 +alpha lin 0.0 15.0 1.3 true +delta lin 0.0 15.0 1.8 true +beta lin 0.0 15.0 0.9 true +gamma lin 0.0 15.0 0.8 true +net4_ps lin -inf inf array true diff --git a/test_cases/sciml_problem_import/020/petab/problem.yaml b/test_cases/sciml_problem_import/020/petab/problem.yaml index c7941fb..700cfe7 100644 --- a/test_cases/sciml_problem_import/020/petab/problem.yaml +++ b/test_cases/sciml_problem_import/020/petab/problem.yaml @@ -6,7 +6,7 @@ measurement_files: - "measurements.tsv" observable_files: - "observables.tsv" -format_version: 2 +format_version: "2.0.0" experiment_files: - "experiments.tsv" parameter_files: @@ -17,8 +17,10 @@ extensions: sciml: array_files: - "net4_ps.hdf5" + version: "0.1.0" hybridization_files: - "hybridization.tsv" + required: true neural_nets: net4: location: "net4.yaml" diff --git a/test_cases/sciml_problem_import/021/grad_mech.tsv b/test_cases/sciml_problem_import/021/grad_mech.tsv index 7836ec7..a4fce37 100644 --- a/test_cases/sciml_problem_import/021/grad_mech.tsv +++ b/test_cases/sciml_problem_import/021/grad_mech.tsv @@ -1,3 +1,3 @@ parameterId value -delta 390.6311105282792 -beta -827.8898417215598 +delta 390.6311105282943 +beta -827.8898417215922 diff --git a/test_cases/sciml_problem_import/021/grad_net4.hdf5 b/test_cases/sciml_problem_import/021/grad_net4.hdf5 index 7744f0a..18a98e8 100644 Binary files a/test_cases/sciml_problem_import/021/grad_net4.hdf5 and b/test_cases/sciml_problem_import/021/grad_net4.hdf5 differ diff --git a/test_cases/sciml_problem_import/021/petab/parameters.tsv b/test_cases/sciml_problem_import/021/petab/parameters.tsv index 9812b5a..8eab181 100644 --- a/test_cases/sciml_problem_import/021/petab/parameters.tsv +++ b/test_cases/sciml_problem_import/021/petab/parameters.tsv @@ -1,6 +1,6 @@ parameterId parameterScale lowerBound upperBound nominalValue estimate -delta lin 0.0 15.0 1.8 1 -beta lin 0.0 15.0 0.9 1 -net1_input_pre1 lin -inf inf 1.0 0 -net1_input_pre2 lin -inf inf 1.0 0 -net4_ps lin -inf inf array 1 +delta lin 0.0 15.0 1.8 true +beta lin 0.0 15.0 0.9 true +net1_input_pre1 lin -inf inf 1.0 false +net1_input_pre2 lin -inf inf 1.0 false +net4_ps lin -inf inf array true diff --git a/test_cases/sciml_problem_import/021/petab/problem.yaml b/test_cases/sciml_problem_import/021/petab/problem.yaml index 5254f49..fb5d46c 100644 --- a/test_cases/sciml_problem_import/021/petab/problem.yaml +++ b/test_cases/sciml_problem_import/021/petab/problem.yaml @@ -6,7 +6,7 @@ measurement_files: - "measurements.tsv" observable_files: - "observables.tsv" -format_version: 2 +format_version: "2.0.0" experiment_files: - "experiments.tsv" parameter_files: @@ -17,8 +17,10 @@ extensions: sciml: array_files: - "net4_ps.hdf5" + version: "0.1.0" hybridization_files: - "hybridization.tsv" + required: true neural_nets: net4: location: "net4.yaml" diff --git a/test_cases/sciml_problem_import/021/simulations.tsv b/test_cases/sciml_problem_import/021/simulations.tsv index 7af45f0..fca4463 100644 --- a/test_cases/sciml_problem_import/021/simulations.tsv +++ b/test_cases/sciml_problem_import/021/simulations.tsv @@ -14,7 +14,7 @@ predator_o e1 0.19470291525643446 2.0 predator_o e1 0.06760604257225866 3.0 predator_o e1 0.14187003527989137 4.0 predator_o e1 6.698671429685424 5.0 -predator_o e1 1.9955511106532229 6.0 +predator_o e1 1.995551110653223 6.0 predator_o e1 0.3922752142581829 7.0 predator_o e1 0.09942290206371376 8.0 predator_o e1 0.06834921504989673 9.0 diff --git a/test_cases/sciml_problem_import/022/grad_mech.tsv b/test_cases/sciml_problem_import/022/grad_mech.tsv index bcf9695..072bc24 100644 --- a/test_cases/sciml_problem_import/022/grad_mech.tsv +++ b/test_cases/sciml_problem_import/022/grad_mech.tsv @@ -1,4 +1,4 @@ parameterId value alpha 1188.5489404986652 delta 457.0027110699171 -beta -410.066612249925 +beta -410.06661224986 diff --git a/test_cases/sciml_problem_import/022/grad_net4.hdf5 b/test_cases/sciml_problem_import/022/grad_net4.hdf5 index 0e605e1..a22396e 100644 Binary files a/test_cases/sciml_problem_import/022/grad_net4.hdf5 and b/test_cases/sciml_problem_import/022/grad_net4.hdf5 differ diff --git a/test_cases/sciml_problem_import/022/petab/parameters.tsv b/test_cases/sciml_problem_import/022/petab/parameters.tsv index 129c8d5..d75e440 100644 --- a/test_cases/sciml_problem_import/022/petab/parameters.tsv +++ b/test_cases/sciml_problem_import/022/petab/parameters.tsv @@ -1,5 +1,5 @@ parameterId parameterScale lowerBound upperBound nominalValue estimate -alpha lin 0.0 15.0 1.3 1 -delta lin 0.0 15.0 1.8 1 -beta lin 0.0 15.0 0.9 1 -net4_ps lin -inf inf array 1 +alpha lin 0.0 15.0 1.3 true +delta lin 0.0 15.0 1.8 true +beta lin 0.0 15.0 0.9 true +net4_ps lin -inf inf array true diff --git a/test_cases/sciml_problem_import/022/petab/problem.yaml b/test_cases/sciml_problem_import/022/petab/problem.yaml index c7941fb..700cfe7 100644 --- a/test_cases/sciml_problem_import/022/petab/problem.yaml +++ b/test_cases/sciml_problem_import/022/petab/problem.yaml @@ -6,7 +6,7 @@ measurement_files: - "measurements.tsv" observable_files: - "observables.tsv" -format_version: 2 +format_version: "2.0.0" experiment_files: - "experiments.tsv" parameter_files: @@ -17,8 +17,10 @@ extensions: sciml: array_files: - "net4_ps.hdf5" + version: "0.1.0" hybridization_files: - "hybridization.tsv" + required: true neural_nets: net4: location: "net4.yaml" diff --git a/test_cases/sciml_problem_import/023/grad_mech.tsv b/test_cases/sciml_problem_import/023/grad_mech.tsv index 8dd5bd5..e6059b2 100644 --- a/test_cases/sciml_problem_import/023/grad_mech.tsv +++ b/test_cases/sciml_problem_import/023/grad_mech.tsv @@ -1,4 +1,4 @@ parameterId value -alpha 2538.780077320352 +alpha 2538.7800773211884 delta 573.6670521169216 beta -2188.7753333246887 diff --git a/test_cases/sciml_problem_import/023/grad_net1.hdf5 b/test_cases/sciml_problem_import/023/grad_net1.hdf5 index 5e32aba..567ff37 100644 Binary files a/test_cases/sciml_problem_import/023/grad_net1.hdf5 and b/test_cases/sciml_problem_import/023/grad_net1.hdf5 differ diff --git a/test_cases/sciml_problem_import/023/petab/parameters.tsv b/test_cases/sciml_problem_import/023/petab/parameters.tsv index ebb1471..a537ee2 100644 --- a/test_cases/sciml_problem_import/023/petab/parameters.tsv +++ b/test_cases/sciml_problem_import/023/petab/parameters.tsv @@ -1,6 +1,6 @@ parameterId parameterScale lowerBound upperBound nominalValue estimate -alpha lin 0.0 15.0 1.3 1 -delta lin 0.0 15.0 1.8 1 -beta lin 0.0 15.0 0.9 1 -net1_layer1 lin -inf inf array 0 -net1_ps lin -inf inf array 1 +alpha lin 0.0 15.0 1.3 true +delta lin 0.0 15.0 1.8 true +beta lin 0.0 15.0 0.9 true +net1_layer1 lin -inf inf array false +net1_ps lin -inf inf array true diff --git a/test_cases/sciml_problem_import/023/petab/problem.yaml b/test_cases/sciml_problem_import/023/petab/problem.yaml index 4377bf4..4e2b5ab 100644 --- a/test_cases/sciml_problem_import/023/petab/problem.yaml +++ b/test_cases/sciml_problem_import/023/petab/problem.yaml @@ -6,7 +6,7 @@ measurement_files: - "measurements.tsv" observable_files: - "observables.tsv" -format_version: 2 +format_version: "2.0.0" experiment_files: - "experiments.tsv" parameter_files: @@ -17,8 +17,10 @@ extensions: sciml: array_files: - "net1_ps.hdf5" + version: "0.1.0" hybridization_files: - "hybridization.tsv" + required: true neural_nets: net1: location: "net1.yaml" diff --git a/test_cases/sciml_problem_import/024/grad_net1.hdf5 b/test_cases/sciml_problem_import/024/grad_net1.hdf5 index 16ce551..73a9874 100644 Binary files a/test_cases/sciml_problem_import/024/grad_net1.hdf5 and b/test_cases/sciml_problem_import/024/grad_net1.hdf5 differ diff --git a/test_cases/sciml_problem_import/024/petab/parameters.tsv b/test_cases/sciml_problem_import/024/petab/parameters.tsv index 16c8f41..e82339e 100644 --- a/test_cases/sciml_problem_import/024/petab/parameters.tsv +++ b/test_cases/sciml_problem_import/024/petab/parameters.tsv @@ -1,8 +1,8 @@ parameterId parameterScale lowerBound upperBound nominalValue estimate -alpha lin 0.0 15.0 1.3 1 -delta lin 0.0 15.0 1.8 1 -beta lin 0.0 15.0 0.9 1 -net1_input_pre1 lin -inf inf 1.0 0 -net1_input_pre2 lin -inf inf 1.0 0 -net1_layer1 lin -inf inf array 0 -net1_ps lin -inf inf array 1 +alpha lin 0.0 15.0 1.3 true +delta lin 0.0 15.0 1.8 true +beta lin 0.0 15.0 0.9 true +net1_input_pre1 lin -inf inf 1.0 false +net1_input_pre2 lin -inf inf 1.0 false +net1_layer1 lin -inf inf array false +net1_ps lin -inf inf array true diff --git a/test_cases/sciml_problem_import/024/petab/problem.yaml b/test_cases/sciml_problem_import/024/petab/problem.yaml index 8fd38b4..fc2aac9 100644 --- a/test_cases/sciml_problem_import/024/petab/problem.yaml +++ b/test_cases/sciml_problem_import/024/petab/problem.yaml @@ -6,7 +6,7 @@ measurement_files: - "measurements.tsv" observable_files: - "observables.tsv" -format_version: 2 +format_version: "2.0.0" experiment_files: - "experiments.tsv" parameter_files: @@ -17,8 +17,10 @@ extensions: sciml: array_files: - "net1_ps.hdf5" + version: "0.1.0" hybridization_files: - "hybridization.tsv" + required: true neural_nets: net1: location: "net1.yaml" diff --git a/test_cases/sciml_problem_import/025/grad_mech.tsv b/test_cases/sciml_problem_import/025/grad_mech.tsv index 8fe693e..475d0a6 100644 --- a/test_cases/sciml_problem_import/025/grad_mech.tsv +++ b/test_cases/sciml_problem_import/025/grad_mech.tsv @@ -1,5 +1,5 @@ parameterId value alpha 1348.3832160092732 -delta 398.79444240316656 +delta 398.79444240445616 beta -839.2207939522068 gamma 431.5736554673321 diff --git a/test_cases/sciml_problem_import/025/grad_net1.hdf5 b/test_cases/sciml_problem_import/025/grad_net1.hdf5 index 81328a3..1988252 100644 Binary files a/test_cases/sciml_problem_import/025/grad_net1.hdf5 and b/test_cases/sciml_problem_import/025/grad_net1.hdf5 differ diff --git a/test_cases/sciml_problem_import/025/petab/parameters.tsv b/test_cases/sciml_problem_import/025/petab/parameters.tsv index 4f93bd7..320fdfd 100644 --- a/test_cases/sciml_problem_import/025/petab/parameters.tsv +++ b/test_cases/sciml_problem_import/025/petab/parameters.tsv @@ -1,7 +1,7 @@ parameterId parameterScale lowerBound upperBound nominalValue estimate -alpha lin 0.0 15.0 1.3 1 -delta lin 0.0 15.0 1.8 1 -beta lin 0.0 15.0 0.9 1 -gamma lin 0.0 15.0 0.8 1 -net1_layer1 lin -inf inf array 0 -net1_ps lin -inf inf array 1 +alpha lin 0.0 15.0 1.3 true +delta lin 0.0 15.0 1.8 true +beta lin 0.0 15.0 0.9 true +gamma lin 0.0 15.0 0.8 true +net1_layer1 lin -inf inf array false +net1_ps lin -inf inf array true diff --git a/test_cases/sciml_problem_import/025/petab/problem.yaml b/test_cases/sciml_problem_import/025/petab/problem.yaml index 4377bf4..4e2b5ab 100644 --- a/test_cases/sciml_problem_import/025/petab/problem.yaml +++ b/test_cases/sciml_problem_import/025/petab/problem.yaml @@ -6,7 +6,7 @@ measurement_files: - "measurements.tsv" observable_files: - "observables.tsv" -format_version: 2 +format_version: "2.0.0" experiment_files: - "experiments.tsv" parameter_files: @@ -17,8 +17,10 @@ extensions: sciml: array_files: - "net1_ps.hdf5" + version: "0.1.0" hybridization_files: - "hybridization.tsv" + required: true neural_nets: net1: location: "net1.yaml" diff --git a/test_cases/sciml_problem_import/026/grad_mech.tsv b/test_cases/sciml_problem_import/026/grad_mech.tsv index 8dd5bd5..e6059b2 100644 --- a/test_cases/sciml_problem_import/026/grad_mech.tsv +++ b/test_cases/sciml_problem_import/026/grad_mech.tsv @@ -1,4 +1,4 @@ parameterId value -alpha 2538.780077320352 +alpha 2538.7800773211884 delta 573.6670521169216 beta -2188.7753333246887 diff --git a/test_cases/sciml_problem_import/026/grad_net1.hdf5 b/test_cases/sciml_problem_import/026/grad_net1.hdf5 index 51b67d9..e0da0fe 100644 Binary files a/test_cases/sciml_problem_import/026/grad_net1.hdf5 and b/test_cases/sciml_problem_import/026/grad_net1.hdf5 differ diff --git a/test_cases/sciml_problem_import/026/petab/parameters.tsv b/test_cases/sciml_problem_import/026/petab/parameters.tsv index ee6a085..3384f47 100644 --- a/test_cases/sciml_problem_import/026/petab/parameters.tsv +++ b/test_cases/sciml_problem_import/026/petab/parameters.tsv @@ -1,6 +1,6 @@ parameterId parameterScale lowerBound upperBound nominalValue estimate -alpha lin 0.0 15.0 1.3 1 -delta lin 0.0 15.0 1.8 1 -beta lin 0.0 15.0 0.9 1 -net1_layer1_weight lin -inf inf array 0 -net1_ps lin -inf inf array 1 +alpha lin 0.0 15.0 1.3 true +delta lin 0.0 15.0 1.8 true +beta lin 0.0 15.0 0.9 true +net1_layer1_weight lin -inf inf array false +net1_ps lin -inf inf array true diff --git a/test_cases/sciml_problem_import/026/petab/problem.yaml b/test_cases/sciml_problem_import/026/petab/problem.yaml index 4377bf4..4e2b5ab 100644 --- a/test_cases/sciml_problem_import/026/petab/problem.yaml +++ b/test_cases/sciml_problem_import/026/petab/problem.yaml @@ -6,7 +6,7 @@ measurement_files: - "measurements.tsv" observable_files: - "observables.tsv" -format_version: 2 +format_version: "2.0.0" experiment_files: - "experiments.tsv" parameter_files: @@ -17,8 +17,10 @@ extensions: sciml: array_files: - "net1_ps.hdf5" + version: "0.1.0" hybridization_files: - "hybridization.tsv" + required: true neural_nets: net1: location: "net1.yaml" diff --git a/test_cases/sciml_problem_import/027/grad_net1.hdf5 b/test_cases/sciml_problem_import/027/grad_net1.hdf5 index e908487..5b66f6c 100644 Binary files a/test_cases/sciml_problem_import/027/grad_net1.hdf5 and b/test_cases/sciml_problem_import/027/grad_net1.hdf5 differ diff --git a/test_cases/sciml_problem_import/027/petab/parameters.tsv b/test_cases/sciml_problem_import/027/petab/parameters.tsv index 626e11b..f0ccc15 100644 --- a/test_cases/sciml_problem_import/027/petab/parameters.tsv +++ b/test_cases/sciml_problem_import/027/petab/parameters.tsv @@ -1,8 +1,8 @@ parameterId parameterScale lowerBound upperBound nominalValue estimate -alpha lin 0.0 15.0 1.3 1 -delta lin 0.0 15.0 1.8 1 -beta lin 0.0 15.0 0.9 1 -net1_input_pre1 lin -inf inf 1.0 0 -net1_input_pre2 lin -inf inf 1.0 0 -net1_layer1_weight lin -inf inf array 0 -net1_ps lin -inf inf array 1 +alpha lin 0.0 15.0 1.3 true +delta lin 0.0 15.0 1.8 true +beta lin 0.0 15.0 0.9 true +net1_input_pre1 lin -inf inf 1.0 false +net1_input_pre2 lin -inf inf 1.0 false +net1_layer1_weight lin -inf inf array false +net1_ps lin -inf inf array true diff --git a/test_cases/sciml_problem_import/027/petab/problem.yaml b/test_cases/sciml_problem_import/027/petab/problem.yaml index 8fd38b4..fc2aac9 100644 --- a/test_cases/sciml_problem_import/027/petab/problem.yaml +++ b/test_cases/sciml_problem_import/027/petab/problem.yaml @@ -6,7 +6,7 @@ measurement_files: - "measurements.tsv" observable_files: - "observables.tsv" -format_version: 2 +format_version: "2.0.0" experiment_files: - "experiments.tsv" parameter_files: @@ -17,8 +17,10 @@ extensions: sciml: array_files: - "net1_ps.hdf5" + version: "0.1.0" hybridization_files: - "hybridization.tsv" + required: true neural_nets: net1: location: "net1.yaml" diff --git a/test_cases/sciml_problem_import/028/grad_mech.tsv b/test_cases/sciml_problem_import/028/grad_mech.tsv index 8fe693e..475d0a6 100644 --- a/test_cases/sciml_problem_import/028/grad_mech.tsv +++ b/test_cases/sciml_problem_import/028/grad_mech.tsv @@ -1,5 +1,5 @@ parameterId value alpha 1348.3832160092732 -delta 398.79444240316656 +delta 398.79444240445616 beta -839.2207939522068 gamma 431.5736554673321 diff --git a/test_cases/sciml_problem_import/028/grad_net1.hdf5 b/test_cases/sciml_problem_import/028/grad_net1.hdf5 index 42f5a8d..ca06cab 100644 Binary files a/test_cases/sciml_problem_import/028/grad_net1.hdf5 and b/test_cases/sciml_problem_import/028/grad_net1.hdf5 differ diff --git a/test_cases/sciml_problem_import/028/petab/parameters.tsv b/test_cases/sciml_problem_import/028/petab/parameters.tsv index 5460bd9..5efe002 100644 --- a/test_cases/sciml_problem_import/028/petab/parameters.tsv +++ b/test_cases/sciml_problem_import/028/petab/parameters.tsv @@ -1,7 +1,7 @@ parameterId parameterScale lowerBound upperBound nominalValue estimate -alpha lin 0.0 15.0 1.3 1 -delta lin 0.0 15.0 1.8 1 -beta lin 0.0 15.0 0.9 1 -gamma lin 0.0 15.0 0.8 1 -net1_layer1_weight lin -inf inf array 0 -net1_ps lin -inf inf array 1 +alpha lin 0.0 15.0 1.3 true +delta lin 0.0 15.0 1.8 true +beta lin 0.0 15.0 0.9 true +gamma lin 0.0 15.0 0.8 true +net1_layer1_weight lin -inf inf array false +net1_ps lin -inf inf array true diff --git a/test_cases/sciml_problem_import/028/petab/problem.yaml b/test_cases/sciml_problem_import/028/petab/problem.yaml index 4377bf4..4e2b5ab 100644 --- a/test_cases/sciml_problem_import/028/petab/problem.yaml +++ b/test_cases/sciml_problem_import/028/petab/problem.yaml @@ -6,7 +6,7 @@ measurement_files: - "measurements.tsv" observable_files: - "observables.tsv" -format_version: 2 +format_version: "2.0.0" experiment_files: - "experiments.tsv" parameter_files: @@ -17,8 +17,10 @@ extensions: sciml: array_files: - "net1_ps.hdf5" + version: "0.1.0" hybridization_files: - "hybridization.tsv" + required: true neural_nets: net1: location: "net1.yaml" diff --git a/test_cases/sciml_problem_import/029/grad_mech.tsv b/test_cases/sciml_problem_import/029/grad_mech.tsv index 8dd5bd5..e6059b2 100644 --- a/test_cases/sciml_problem_import/029/grad_mech.tsv +++ b/test_cases/sciml_problem_import/029/grad_mech.tsv @@ -1,4 +1,4 @@ parameterId value -alpha 2538.780077320352 +alpha 2538.7800773211884 delta 573.6670521169216 beta -2188.7753333246887 diff --git a/test_cases/sciml_problem_import/029/grad_net5.hdf5 b/test_cases/sciml_problem_import/029/grad_net5.hdf5 index 3fb3e07..89b9e34 100644 Binary files a/test_cases/sciml_problem_import/029/grad_net5.hdf5 and b/test_cases/sciml_problem_import/029/grad_net5.hdf5 differ diff --git a/test_cases/sciml_problem_import/029/petab/parameters.tsv b/test_cases/sciml_problem_import/029/petab/parameters.tsv index 2f79395..07703d4 100644 --- a/test_cases/sciml_problem_import/029/petab/parameters.tsv +++ b/test_cases/sciml_problem_import/029/petab/parameters.tsv @@ -1,5 +1,5 @@ parameterId parameterScale lowerBound upperBound nominalValue estimate -alpha lin 0.0 15.0 1.3 1 -delta lin 0.0 15.0 1.8 1 -beta lin 0.0 15.0 0.9 1 -net5_ps lin -inf inf array 1 +alpha lin 0.0 15.0 1.3 true +delta lin 0.0 15.0 1.8 true +beta lin 0.0 15.0 0.9 true +net5_ps lin -inf inf array true diff --git a/test_cases/sciml_problem_import/029/petab/problem.yaml b/test_cases/sciml_problem_import/029/petab/problem.yaml index cd08d41..dfec799 100644 --- a/test_cases/sciml_problem_import/029/petab/problem.yaml +++ b/test_cases/sciml_problem_import/029/petab/problem.yaml @@ -6,7 +6,7 @@ measurement_files: - "measurements.tsv" observable_files: - "observables.tsv" -format_version: 2 +format_version: "2.0.0" experiment_files: - "experiments.tsv" parameter_files: @@ -17,8 +17,10 @@ extensions: sciml: array_files: - "net5_ps.hdf5" + version: "0.1.0" hybridization_files: - "hybridization.tsv" + required: true neural_nets: net5: location: "net5.yaml" diff --git a/test_cases/sciml_problem_import/030/grad_net5.hdf5 b/test_cases/sciml_problem_import/030/grad_net5.hdf5 index 1eee7d0..a41f2bf 100644 Binary files a/test_cases/sciml_problem_import/030/grad_net5.hdf5 and b/test_cases/sciml_problem_import/030/grad_net5.hdf5 differ diff --git a/test_cases/sciml_problem_import/030/petab/parameters.tsv b/test_cases/sciml_problem_import/030/petab/parameters.tsv index dbd5c86..6565312 100644 --- a/test_cases/sciml_problem_import/030/petab/parameters.tsv +++ b/test_cases/sciml_problem_import/030/petab/parameters.tsv @@ -1,7 +1,7 @@ parameterId parameterScale lowerBound upperBound nominalValue estimate -alpha lin 0.0 15.0 1.3 1 -delta lin 0.0 15.0 1.8 1 -beta lin 0.0 15.0 0.9 1 -net1_input_pre1 lin -inf inf 1.0 0 -net1_input_pre2 lin -inf inf 1.0 0 -net5_ps lin -inf inf array 1 +alpha lin 0.0 15.0 1.3 true +delta lin 0.0 15.0 1.8 true +beta lin 0.0 15.0 0.9 true +net1_input_pre1 lin -inf inf 1.0 false +net1_input_pre2 lin -inf inf 1.0 false +net5_ps lin -inf inf array true diff --git a/test_cases/sciml_problem_import/030/petab/problem.yaml b/test_cases/sciml_problem_import/030/petab/problem.yaml index 61231bb..d9c2fe1 100644 --- a/test_cases/sciml_problem_import/030/petab/problem.yaml +++ b/test_cases/sciml_problem_import/030/petab/problem.yaml @@ -6,7 +6,7 @@ measurement_files: - "measurements.tsv" observable_files: - "observables.tsv" -format_version: 2 +format_version: "2.0.0" experiment_files: - "experiments.tsv" parameter_files: @@ -17,8 +17,10 @@ extensions: sciml: array_files: - "net5_ps.hdf5" + version: "0.1.0" hybridization_files: - "hybridization.tsv" + required: true neural_nets: net5: location: "net5.yaml" diff --git a/test_cases/sciml_problem_import/031/grad_mech.tsv b/test_cases/sciml_problem_import/031/grad_mech.tsv index 8fe693e..475d0a6 100644 --- a/test_cases/sciml_problem_import/031/grad_mech.tsv +++ b/test_cases/sciml_problem_import/031/grad_mech.tsv @@ -1,5 +1,5 @@ parameterId value alpha 1348.3832160092732 -delta 398.79444240316656 +delta 398.79444240445616 beta -839.2207939522068 gamma 431.5736554673321 diff --git a/test_cases/sciml_problem_import/031/grad_net5.hdf5 b/test_cases/sciml_problem_import/031/grad_net5.hdf5 index 135e08e..47c4f44 100644 Binary files a/test_cases/sciml_problem_import/031/grad_net5.hdf5 and b/test_cases/sciml_problem_import/031/grad_net5.hdf5 differ diff --git a/test_cases/sciml_problem_import/031/petab/parameters.tsv b/test_cases/sciml_problem_import/031/petab/parameters.tsv index 7b7b85b..56850d5 100644 --- a/test_cases/sciml_problem_import/031/petab/parameters.tsv +++ b/test_cases/sciml_problem_import/031/petab/parameters.tsv @@ -1,6 +1,6 @@ parameterId parameterScale lowerBound upperBound nominalValue estimate -alpha lin 0.0 15.0 1.3 1 -delta lin 0.0 15.0 1.8 1 -beta lin 0.0 15.0 0.9 1 -gamma lin 0.0 15.0 0.8 1 -net5_ps lin -inf inf array 1 +alpha lin 0.0 15.0 1.3 true +delta lin 0.0 15.0 1.8 true +beta lin 0.0 15.0 0.9 true +gamma lin 0.0 15.0 0.8 true +net5_ps lin -inf inf array true diff --git a/test_cases/sciml_problem_import/031/petab/problem.yaml b/test_cases/sciml_problem_import/031/petab/problem.yaml index cd08d41..dfec799 100644 --- a/test_cases/sciml_problem_import/031/petab/problem.yaml +++ b/test_cases/sciml_problem_import/031/petab/problem.yaml @@ -6,7 +6,7 @@ measurement_files: - "measurements.tsv" observable_files: - "observables.tsv" -format_version: 2 +format_version: "2.0.0" experiment_files: - "experiments.tsv" parameter_files: @@ -17,8 +17,10 @@ extensions: sciml: array_files: - "net5_ps.hdf5" + version: "0.1.0" hybridization_files: - "hybridization.tsv" + required: true neural_nets: net5: location: "net5.yaml" diff --git a/test_cases/sciml_problem_import/032/grad_mech.tsv b/test_cases/sciml_problem_import/032/grad_mech.tsv index e33c83f..7afefb9 100644 --- a/test_cases/sciml_problem_import/032/grad_mech.tsv +++ b/test_cases/sciml_problem_import/032/grad_mech.tsv @@ -1,4 +1,4 @@ parameterId value -alpha 1328.8285975198448 -delta 390.6311104472732 -beta -827.8898417171047 +alpha 1328.8285975198899 +delta 390.63111044731846 +beta -827.8898417171947 diff --git a/test_cases/sciml_problem_import/032/grad_net1.hdf5 b/test_cases/sciml_problem_import/032/grad_net1.hdf5 index fce3144..189d15b 100644 Binary files a/test_cases/sciml_problem_import/032/grad_net1.hdf5 and b/test_cases/sciml_problem_import/032/grad_net1.hdf5 differ diff --git a/test_cases/sciml_problem_import/032/petab/parameters.tsv b/test_cases/sciml_problem_import/032/petab/parameters.tsv index 0923f3b..0d1852d 100644 --- a/test_cases/sciml_problem_import/032/petab/parameters.tsv +++ b/test_cases/sciml_problem_import/032/petab/parameters.tsv @@ -1,7 +1,7 @@ parameterId parameterScale lowerBound upperBound nominalValue estimate priorDistribution priorParameters -alpha lin 0.0 15.0 1.3 1 uniform 0.0;15.0 -delta lin 0.0 15.0 1.8 1 uniform 0.0;15.0 -beta lin 0.0 15.0 0.9 1 uniform 0.0;15.0 -net1_input_pre1 lin -Inf Inf 1.0 0 -net1_input_pre2 lin -Inf Inf 1.0 0 -net1_ps lin -Inf Inf array 1 normal 0.0;1.0 +alpha lin 0.0 15.0 1.3 true uniform 0.0;15.0 +delta lin 0.0 15.0 1.8 true uniform 0.0;15.0 +beta lin 0.0 15.0 0.9 true uniform 0.0;15.0 +net1_input_pre1 lin -Inf Inf 1.0 false +net1_input_pre2 lin -Inf Inf 1.0 false +net1_ps lin -Inf Inf array true normal 0.0;1.0 diff --git a/test_cases/sciml_problem_import/032/petab/problem.yaml b/test_cases/sciml_problem_import/032/petab/problem.yaml index 8fd38b4..fc2aac9 100644 --- a/test_cases/sciml_problem_import/032/petab/problem.yaml +++ b/test_cases/sciml_problem_import/032/petab/problem.yaml @@ -6,7 +6,7 @@ measurement_files: - "measurements.tsv" observable_files: - "observables.tsv" -format_version: 2 +format_version: "2.0.0" experiment_files: - "experiments.tsv" parameter_files: @@ -17,8 +17,10 @@ extensions: sciml: array_files: - "net1_ps.hdf5" + version: "0.1.0" hybridization_files: - "hybridization.tsv" + required: true neural_nets: net1: location: "net1.yaml" diff --git a/test_cases/sciml_problem_import/032/solutions.yaml b/test_cases/sciml_problem_import/032/solutions.yaml index 6231d07..18ea186 100644 --- a/test_cases/sciml_problem_import/032/solutions.yaml +++ b/test_cases/sciml_problem_import/032/solutions.yaml @@ -5,5 +5,5 @@ grad_files: mech: "grad_mech.tsv" net1: "grad_net1.hdf5" tol_simulations: 0.001 -log_posterior: -22.83360800261655 +log_posterior: -22.833608002616536 tol_log_posterior: 0.001 diff --git a/test_cases/sciml_problem_import/033/grad_mech.tsv b/test_cases/sciml_problem_import/033/grad_mech.tsv index 7beb0fa..3476268 100644 --- a/test_cases/sciml_problem_import/033/grad_mech.tsv +++ b/test_cases/sciml_problem_import/033/grad_mech.tsv @@ -1,4 +1,4 @@ parameterId value -alpha 1328.8285975198223 -delta 390.6311104472362 -beta -827.8898417172687 +alpha 1328.8285975197307 +delta 390.6311104474263 +beta -827.889841717137 diff --git a/test_cases/sciml_problem_import/033/grad_net1.hdf5 b/test_cases/sciml_problem_import/033/grad_net1.hdf5 index 5ff738d..5b4debb 100644 Binary files a/test_cases/sciml_problem_import/033/grad_net1.hdf5 and b/test_cases/sciml_problem_import/033/grad_net1.hdf5 differ diff --git a/test_cases/sciml_problem_import/033/petab/parameters.tsv b/test_cases/sciml_problem_import/033/petab/parameters.tsv index 67a23b5..8ca1b99 100644 --- a/test_cases/sciml_problem_import/033/petab/parameters.tsv +++ b/test_cases/sciml_problem_import/033/petab/parameters.tsv @@ -1,8 +1,8 @@ parameterId parameterScale lowerBound upperBound nominalValue estimate priorDistribution priorParameters -alpha lin 0.0 15.0 1.3 1 uniform 0.0;15.0 -delta lin 0.0 15.0 1.8 1 uniform 0.0;15.0 -beta lin 0.0 15.0 0.9 1 uniform 0.0;15.0 -net1_input_pre1 lin -Inf Inf 1.0 0 -net1_input_pre2 lin -Inf Inf 1.0 0 -net1_layer1_prior lin -Inf Inf array 1 normal 0.0;2.0 -net1_ps lin -Inf Inf array 1 normal 0.0;1.0 +alpha lin 0.0 15.0 1.3 true uniform 0.0;15.0 +delta lin 0.0 15.0 1.8 true uniform 0.0;15.0 +beta lin 0.0 15.0 0.9 true uniform 0.0;15.0 +net1_input_pre1 lin -Inf Inf 1.0 false +net1_input_pre2 lin -Inf Inf 1.0 false +net1_layer1_prior lin -Inf Inf array true normal 0.0;2.0 +net1_ps lin -Inf Inf array true normal 0.0;1.0 diff --git a/test_cases/sciml_problem_import/033/petab/problem.yaml b/test_cases/sciml_problem_import/033/petab/problem.yaml index 8fd38b4..fc2aac9 100644 --- a/test_cases/sciml_problem_import/033/petab/problem.yaml +++ b/test_cases/sciml_problem_import/033/petab/problem.yaml @@ -6,7 +6,7 @@ measurement_files: - "measurements.tsv" observable_files: - "observables.tsv" -format_version: 2 +format_version: "2.0.0" experiment_files: - "experiments.tsv" parameter_files: @@ -17,8 +17,10 @@ extensions: sciml: array_files: - "net1_ps.hdf5" + version: "0.1.0" hybridization_files: - "hybridization.tsv" + required: true neural_nets: net1: location: "net1.yaml" diff --git a/test_cases/sciml_problem_import/033/solutions.yaml b/test_cases/sciml_problem_import/033/solutions.yaml index 7ba9e2e..24e3ba9 100644 --- a/test_cases/sciml_problem_import/033/solutions.yaml +++ b/test_cases/sciml_problem_import/033/solutions.yaml @@ -5,5 +5,5 @@ grad_files: mech: "grad_mech.tsv" net1: "grad_net1.hdf5" tol_simulations: 0.001 -log_posterior: -32.93800974538561 +log_posterior: -32.93800974538559 tol_log_posterior: 0.001 diff --git a/test_cases/sciml_problem_import/034/grad_mech.tsv b/test_cases/sciml_problem_import/034/grad_mech.tsv index b570a5f..7638029 100644 --- a/test_cases/sciml_problem_import/034/grad_mech.tsv +++ b/test_cases/sciml_problem_import/034/grad_mech.tsv @@ -1,4 +1,4 @@ parameterId value -alpha 1328.8285975198362 -delta 390.6311104473259 -beta -827.889841717214 +alpha 1328.8285975197587 +delta 390.63111044746506 +beta -827.8898417170853 diff --git a/test_cases/sciml_problem_import/034/grad_net1.hdf5 b/test_cases/sciml_problem_import/034/grad_net1.hdf5 index bd3f32e..247df65 100644 Binary files a/test_cases/sciml_problem_import/034/grad_net1.hdf5 and b/test_cases/sciml_problem_import/034/grad_net1.hdf5 differ diff --git a/test_cases/sciml_problem_import/034/petab/parameters.tsv b/test_cases/sciml_problem_import/034/petab/parameters.tsv index a51e72e..4e1c24a 100644 --- a/test_cases/sciml_problem_import/034/petab/parameters.tsv +++ b/test_cases/sciml_problem_import/034/petab/parameters.tsv @@ -1,8 +1,8 @@ parameterId parameterScale lowerBound upperBound nominalValue estimate priorDistribution priorParameters -alpha lin 0.0 15.0 1.3 1 uniform 0.0;15.0 -delta lin 0.0 15.0 1.8 1 uniform 0.0;15.0 -beta lin 0.0 15.0 0.9 1 uniform 0.0;15.0 -net1_input_pre1 lin -Inf Inf 1.0 0 -net1_input_pre2 lin -Inf Inf 1.0 0 -net1_layer1_weight_prior lin -Inf Inf array 1 normal 0.0;2.0 -net1_ps lin -Inf Inf array 1 normal 0.0;1.0 +alpha lin 0.0 15.0 1.3 true uniform 0.0;15.0 +delta lin 0.0 15.0 1.8 true uniform 0.0;15.0 +beta lin 0.0 15.0 0.9 true uniform 0.0;15.0 +net1_input_pre1 lin -Inf Inf 1.0 false +net1_input_pre2 lin -Inf Inf 1.0 false +net1_layer1_weight_prior lin -Inf Inf array true normal 0.0;2.0 +net1_ps lin -Inf Inf array true normal 0.0;1.0 diff --git a/test_cases/sciml_problem_import/034/petab/problem.yaml b/test_cases/sciml_problem_import/034/petab/problem.yaml index 8fd38b4..fc2aac9 100644 --- a/test_cases/sciml_problem_import/034/petab/problem.yaml +++ b/test_cases/sciml_problem_import/034/petab/problem.yaml @@ -6,7 +6,7 @@ measurement_files: - "measurements.tsv" observable_files: - "observables.tsv" -format_version: 2 +format_version: "2.0.0" experiment_files: - "experiments.tsv" parameter_files: @@ -17,8 +17,10 @@ extensions: sciml: array_files: - "net1_ps.hdf5" + version: "0.1.0" hybridization_files: - "hybridization.tsv" + required: true neural_nets: net1: location: "net1.yaml" diff --git a/test_cases/sciml_problem_import/034/solutions.yaml b/test_cases/sciml_problem_import/034/solutions.yaml index 0fa9901..6004a0c 100644 --- a/test_cases/sciml_problem_import/034/solutions.yaml +++ b/test_cases/sciml_problem_import/034/solutions.yaml @@ -5,5 +5,5 @@ grad_files: mech: "grad_mech.tsv" net1: "grad_net1.hdf5" tol_simulations: 0.001 -log_posterior: -29.54253953842064 +log_posterior: -29.542539538420627 tol_log_posterior: 0.001 diff --git a/test_cases/sciml_problem_import/035/grad_net1.hdf5 b/test_cases/sciml_problem_import/035/grad_net1.hdf5 index d93b93d..e5c07fd 100644 Binary files a/test_cases/sciml_problem_import/035/grad_net1.hdf5 and b/test_cases/sciml_problem_import/035/grad_net1.hdf5 differ diff --git a/test_cases/sciml_problem_import/035/petab/parameters.tsv b/test_cases/sciml_problem_import/035/petab/parameters.tsv index e855e0d..dcaf68d 100644 --- a/test_cases/sciml_problem_import/035/petab/parameters.tsv +++ b/test_cases/sciml_problem_import/035/petab/parameters.tsv @@ -1,5 +1,5 @@ parameterId parameterScale lowerBound upperBound nominalValue estimate -alpha lin 0.0 15.0 1.3 1 -delta lin 0.0 15.0 1.8 1 -beta lin 0.0 15.0 0.9 1 -net1_ps lin -inf inf array 1 +alpha lin 0.0 15.0 1.3 true +delta lin 0.0 15.0 1.8 true +beta lin 0.0 15.0 0.9 true +net1_ps lin -inf inf array true diff --git a/test_cases/sciml_problem_import/035/petab/problem.yaml b/test_cases/sciml_problem_import/035/petab/problem.yaml index 4377bf4..4e2b5ab 100644 --- a/test_cases/sciml_problem_import/035/petab/problem.yaml +++ b/test_cases/sciml_problem_import/035/petab/problem.yaml @@ -6,7 +6,7 @@ measurement_files: - "measurements.tsv" observable_files: - "observables.tsv" -format_version: 2 +format_version: "2.0.0" experiment_files: - "experiments.tsv" parameter_files: @@ -17,8 +17,10 @@ extensions: sciml: array_files: - "net1_ps.hdf5" + version: "0.1.0" hybridization_files: - "hybridization.tsv" + required: true neural_nets: net1: location: "net1.yaml" diff --git a/test_cases/sciml_problem_import/036/grad_mech.tsv b/test_cases/sciml_problem_import/036/grad_mech.tsv index 1cb05fb..0d2ab34 100644 --- a/test_cases/sciml_problem_import/036/grad_mech.tsv +++ b/test_cases/sciml_problem_import/036/grad_mech.tsv @@ -1,4 +1,4 @@ parameterId value alpha 1476.38108308259 -delta 436.42503474376264 -beta -917.1696536617616 +delta 436.4250347436417 +beta -917.1696536617436 diff --git a/test_cases/sciml_problem_import/036/grad_net6.hdf5 b/test_cases/sciml_problem_import/036/grad_net6.hdf5 index db472b9..28baf69 100644 Binary files a/test_cases/sciml_problem_import/036/grad_net6.hdf5 and b/test_cases/sciml_problem_import/036/grad_net6.hdf5 differ diff --git a/test_cases/sciml_problem_import/036/petab/parameters.tsv b/test_cases/sciml_problem_import/036/petab/parameters.tsv index 21be1f6..9e9d3d9 100644 --- a/test_cases/sciml_problem_import/036/petab/parameters.tsv +++ b/test_cases/sciml_problem_import/036/petab/parameters.tsv @@ -1,5 +1,5 @@ parameterId parameterScale lowerBound upperBound nominalValue estimate -alpha lin 0.0 15.0 1.3 1 -delta lin 0.0 15.0 1.8 1 -beta lin 0.0 15.0 0.9 1 -net6_ps lin -inf inf array 1 +alpha lin 0.0 15.0 1.3 true +delta lin 0.0 15.0 1.8 true +beta lin 0.0 15.0 0.9 true +net6_ps lin -inf inf array true diff --git a/test_cases/sciml_problem_import/036/petab/problem.yaml b/test_cases/sciml_problem_import/036/petab/problem.yaml index 42b4ccd..9948723 100644 --- a/test_cases/sciml_problem_import/036/petab/problem.yaml +++ b/test_cases/sciml_problem_import/036/petab/problem.yaml @@ -6,7 +6,7 @@ measurement_files: - "measurements.tsv" observable_files: - "observables.tsv" -format_version: 2 +format_version: "2.0.0" experiment_files: - "experiments.tsv" parameter_files: @@ -18,8 +18,10 @@ extensions: array_files: - "net6_ps.hdf5" - "net6_input1.hdf5" + version: "0.1.0" hybridization_files: - "hybridization.tsv" + required: true neural_nets: net6: location: "net6.yaml" diff --git a/test_cases/sciml_problem_import/037/grad_mech.tsv b/test_cases/sciml_problem_import/037/grad_mech.tsv index 38356cc..5242101 100644 --- a/test_cases/sciml_problem_import/037/grad_mech.tsv +++ b/test_cases/sciml_problem_import/037/grad_mech.tsv @@ -1,5 +1,5 @@ parameterId value alpha 1328.1824099458936 -delta 390.09408136779973 -beta -826.4877862059785 -gamma 432.77547288165096 +delta 390.0940813679303 +beta -826.4877862052066 +gamma 432.7754728816143 diff --git a/test_cases/sciml_problem_import/037/grad_net6.hdf5 b/test_cases/sciml_problem_import/037/grad_net6.hdf5 index 5a81dae..23d793f 100644 Binary files a/test_cases/sciml_problem_import/037/grad_net6.hdf5 and b/test_cases/sciml_problem_import/037/grad_net6.hdf5 differ diff --git a/test_cases/sciml_problem_import/037/petab/parameters.tsv b/test_cases/sciml_problem_import/037/petab/parameters.tsv index 23e9c13..3fcacaf 100644 --- a/test_cases/sciml_problem_import/037/petab/parameters.tsv +++ b/test_cases/sciml_problem_import/037/petab/parameters.tsv @@ -1,6 +1,6 @@ parameterId parameterScale lowerBound upperBound nominalValue estimate -alpha lin 0.0 15.0 1.3 1 -delta lin 0.0 15.0 1.8 1 -beta lin 0.0 15.0 0.9 1 -gamma lin 0.0 15.0 0.8 1 -net6_ps lin -inf inf array 1 +alpha lin 0.0 15.0 1.3 true +delta lin 0.0 15.0 1.8 true +beta lin 0.0 15.0 0.9 true +gamma lin 0.0 15.0 0.8 true +net6_ps lin -inf inf array true diff --git a/test_cases/sciml_problem_import/037/petab/problem.yaml b/test_cases/sciml_problem_import/037/petab/problem.yaml index 42b4ccd..9948723 100644 --- a/test_cases/sciml_problem_import/037/petab/problem.yaml +++ b/test_cases/sciml_problem_import/037/petab/problem.yaml @@ -6,7 +6,7 @@ measurement_files: - "measurements.tsv" observable_files: - "observables.tsv" -format_version: 2 +format_version: "2.0.0" experiment_files: - "experiments.tsv" parameter_files: @@ -18,8 +18,10 @@ extensions: array_files: - "net6_ps.hdf5" - "net6_input1.hdf5" + version: "0.1.0" hybridization_files: - "hybridization.tsv" + required: true neural_nets: net6: location: "net6.yaml" diff --git a/test_cases/sciml_problem_import/038/grad_mech.tsv b/test_cases/sciml_problem_import/038/grad_mech.tsv index c677b56..5661d76 100644 --- a/test_cases/sciml_problem_import/038/grad_mech.tsv +++ b/test_cases/sciml_problem_import/038/grad_mech.tsv @@ -1,4 +1,4 @@ parameterId value alpha 1828.9047969080623 -delta 413.75275506748926 +delta 413.7528846294025 beta -1190.4202737098512 diff --git a/test_cases/sciml_problem_import/038/grad_net6.hdf5 b/test_cases/sciml_problem_import/038/grad_net6.hdf5 index c98c6c2..9cfe47b 100644 Binary files a/test_cases/sciml_problem_import/038/grad_net6.hdf5 and b/test_cases/sciml_problem_import/038/grad_net6.hdf5 differ diff --git a/test_cases/sciml_problem_import/038/petab/parameters.tsv b/test_cases/sciml_problem_import/038/petab/parameters.tsv index 21be1f6..9e9d3d9 100644 --- a/test_cases/sciml_problem_import/038/petab/parameters.tsv +++ b/test_cases/sciml_problem_import/038/petab/parameters.tsv @@ -1,5 +1,5 @@ parameterId parameterScale lowerBound upperBound nominalValue estimate -alpha lin 0.0 15.0 1.3 1 -delta lin 0.0 15.0 1.8 1 -beta lin 0.0 15.0 0.9 1 -net6_ps lin -inf inf array 1 +alpha lin 0.0 15.0 1.3 true +delta lin 0.0 15.0 1.8 true +beta lin 0.0 15.0 0.9 true +net6_ps lin -inf inf array true diff --git a/test_cases/sciml_problem_import/038/petab/problem.yaml b/test_cases/sciml_problem_import/038/petab/problem.yaml index 3dc6f65..9498a53 100644 --- a/test_cases/sciml_problem_import/038/petab/problem.yaml +++ b/test_cases/sciml_problem_import/038/petab/problem.yaml @@ -6,7 +6,7 @@ measurement_files: - "measurements.tsv" observable_files: - "observables.tsv" -format_version: 2 +format_version: "2.0.0" experiment_files: - "experiments.tsv" parameter_files: @@ -18,8 +18,10 @@ extensions: array_files: - "net6_ps.hdf5" - "net6_input2.hdf5" + version: "0.1.0" hybridization_files: - "hybridization.tsv" + required: true neural_nets: net6: location: "net6.yaml" diff --git a/test_cases/sciml_problem_import/039/grad_mech.tsv b/test_cases/sciml_problem_import/039/grad_mech.tsv index d49a697..b3e0ada 100644 --- a/test_cases/sciml_problem_import/039/grad_mech.tsv +++ b/test_cases/sciml_problem_import/039/grad_mech.tsv @@ -1,5 +1,5 @@ parameterId value -alpha 384.67420907758566 -delta -77.22463242359656 +alpha 384.67420907589553 +delta -77.22463242359517 beta -398.4233563340724 -gamma 546.9861905045999 +gamma 546.9861905024623 diff --git a/test_cases/sciml_problem_import/039/grad_net6.hdf5 b/test_cases/sciml_problem_import/039/grad_net6.hdf5 index 368d2fc..923c167 100644 Binary files a/test_cases/sciml_problem_import/039/grad_net6.hdf5 and b/test_cases/sciml_problem_import/039/grad_net6.hdf5 differ diff --git a/test_cases/sciml_problem_import/039/petab/parameters.tsv b/test_cases/sciml_problem_import/039/petab/parameters.tsv index 23e9c13..3fcacaf 100644 --- a/test_cases/sciml_problem_import/039/petab/parameters.tsv +++ b/test_cases/sciml_problem_import/039/petab/parameters.tsv @@ -1,6 +1,6 @@ parameterId parameterScale lowerBound upperBound nominalValue estimate -alpha lin 0.0 15.0 1.3 1 -delta lin 0.0 15.0 1.8 1 -beta lin 0.0 15.0 0.9 1 -gamma lin 0.0 15.0 0.8 1 -net6_ps lin -inf inf array 1 +alpha lin 0.0 15.0 1.3 true +delta lin 0.0 15.0 1.8 true +beta lin 0.0 15.0 0.9 true +gamma lin 0.0 15.0 0.8 true +net6_ps lin -inf inf array true diff --git a/test_cases/sciml_problem_import/039/petab/problem.yaml b/test_cases/sciml_problem_import/039/petab/problem.yaml index 3dc6f65..9498a53 100644 --- a/test_cases/sciml_problem_import/039/petab/problem.yaml +++ b/test_cases/sciml_problem_import/039/petab/problem.yaml @@ -6,7 +6,7 @@ measurement_files: - "measurements.tsv" observable_files: - "observables.tsv" -format_version: 2 +format_version: "2.0.0" experiment_files: - "experiments.tsv" parameter_files: @@ -18,8 +18,10 @@ extensions: array_files: - "net6_ps.hdf5" - "net6_input2.hdf5" + version: "0.1.0" hybridization_files: - "hybridization.tsv" + required: true neural_nets: net6: location: "net6.yaml"