From dd390d8b7a874c953789b67ef1b997678b0ba778 Mon Sep 17 00:00:00 2001
From: Thomas <purcell@fhi-berlin.mpg.de>
Date: Wed, 10 Feb 2021 15:27:03 +0100
Subject: [PATCH] Updated files relative to sissopp changes
see https://gitlab.com/sissopp_developers/sissopp
commits: up to 763e40e4deaf7a45dba3f0d8052cca053c1fa957
---
.gitlab-ci.yml | 32 +--
CMakeLists.txt | 7 +-
src/CMakeLists.txt | 29 ++-
src/descriptor_identifier/Model/Model.cpp | 3 +-
src/descriptor_identifier/Model/Model.hpp | 13 +-
.../Model/ModelClassifier.cpp | 30 ++-
.../Model/ModelClassifier.hpp | 12 +-
.../Model/ModelLogRegressor.cpp | 16 +-
.../Model/ModelLogRegressor.hpp | 12 +-
.../Model/ModelRegressor.cpp | 33 ++-
.../Model/ModelRegressor.hpp | 24 +-
.../SISSO_DI/SISSOClassifier.cpp | 11 +-
.../SISSO_DI/SISSOClassifier.hpp | 4 +-
.../SISSO_DI/SISSOLogRegressor.cpp | 7 +-
.../SISSO_DI/SISSOLogRegressor.hpp | 6 +-
.../SISSO_DI/SISSORegressor.cpp | 11 +-
.../SISSO_DI/SISSORegressor.hpp | 6 +-
.../SISSO_DI/SISSO_DI.cpp | 2 +
.../SISSO_DI/SISSO_DI.hpp | 8 +-
.../feature_space/FeatureSpace.cpp | 7 +-
.../feature_space/FeatureSpace.hpp | 4 +-
src/feature_creation/node/FeatureNode.hpp | 7 +
src/feature_creation/node/ModelNode.cpp | 3 +-
src/feature_creation/node/ModelNode.hpp | 12 +-
src/feature_creation/node/Node.hpp | 14 +-
.../node/operator_nodes/OperatorNode.hpp | 6 +
.../{ => abs}/absolute_value.cpp | 4 +-
.../{ => abs}/absolute_value.hpp | 11 +-
.../{ => abs_diff}/absolute_difference.cpp | 4 +-
.../{ => abs_diff}/absolute_difference.hpp | 11 +-
.../allowed_operator_nodes/{ => add}/add.cpp | 4 +-
.../allowed_operator_nodes/{ => add}/add.hpp | 11 +-
.../allowed_operator_nodes/{ => cb}/cube.cpp | 4 +-
.../allowed_operator_nodes/{ => cb}/cube.hpp | 11 +-
.../{ => cbrt}/cube_root.cpp | 4 +-
.../{ => cbrt}/cube_root.hpp | 11 +-
.../allowed_operator_nodes/{ => cos}/cos.cpp | 4 +-
.../allowed_operator_nodes/{ => cos}/cos.hpp | 11 +-
.../{ => div}/divide.cpp | 4 +-
.../{ => div}/divide.hpp | 11 +-
.../{ => exp}/exponential.cpp | 4 +-
.../{ => exp}/exponential.hpp | 11 +-
.../{ => inv}/inverse.cpp | 4 +-
.../{ => inv}/inverse.hpp | 11 +-
.../allowed_operator_nodes/{ => log}/log.cpp | 4 +-
.../allowed_operator_nodes/{ => log}/log.hpp | 11 +-
.../{ => mult}/multiply.cpp | 4 +-
.../{ => mult}/multiply.hpp | 11 +-
.../{ => neg_exp}/negative_exponential.cpp | 4 +-
.../{ => neg_exp}/negative_exponential.hpp | 11 +-
.../allowed_operator_nodes/{ => sin}/sin.cpp | 4 +-
.../allowed_operator_nodes/{ => sin}/sin.hpp | 11 +-
.../{ => sp}/sixth_power.cpp | 4 +-
.../{ => sp}/sixth_power.hpp | 11 +-
.../{ => sq}/square.cpp | 4 +-
.../{ => sq}/square.hpp | 11 +-
.../{ => sqrt}/square_root.cpp | 4 +-
.../{ => sqrt}/square_root.hpp | 11 +-
.../{ => sub}/subtract.cpp | 4 +-
.../{ => sub}/subtract.hpp | 11 +-
.../node/operator_nodes/allowed_ops.hpp | 37 +--
src/feature_creation/node/utils.cpp | 2 +-
src/feature_creation/units/Unit.cpp | 27 +++
src/feature_creation/units/Unit.hpp | 8 +-
src/inputs/InputParser.cpp | 6 +-
src/inputs/InputParser.hpp | 1 +
src/main.cpp | 16 +-
src/python/__init__.py | 5 +
src/python/bindings_docstring_keyed.cpp | 35 ++-
src/python/bindings_docstring_keyed.hpp | 5 +-
.../descriptor_identifier/SISSOClassifier.cpp | 6 +-
.../SISSOLogRegressor.cpp | 8 +-
.../descriptor_identifier/SISSORegressor.cpp | 6 +-
src/python/descriptor_identifier/SISSO_DI.cpp | 4 +
src/python/feature_creation/FeatureSpace.cpp | 31 ++-
src/python/feature_creation/node_utils.cpp | 4 +-
src/python/postprocess/__init__.py | 229 ++++++++++++++----
.../postprocess/check_cv_convergence.py | 27 +--
src/python/postprocess/plotting/config.py | 2 +-
src/python/postprocess/plotting/config.toml | 12 +-
src/python/postprocess/utils.py | 56 ++++-
src/utils/string_utils.cpp | 20 ++
src/utils/string_utils.hpp | 4 +-
tests/exec_test/check_model.py | 2 +-
tests/exec_test/classification/check_model.py | 10 +
tests/exec_test/classification/data.csv | 101 ++++++++
tests/exec_test/classification/sisso.json | 14 ++
tests/{ => exec_test/default}/data.csv | 2 +-
tests/exec_test/default/sisso.json | 14 ++
tests/exec_test/gen_proj/sisso.json | 15 ++
tests/exec_test/log_reg/data.csv | 101 ++++++++
tests/exec_test/log_reg/sisso.json | 14 ++
tests/exec_test/max_corr/sisso.json | 15 ++
tests/pytest/data.csv | 101 ++++++++
.../test_classification.py | 12 +-
.../model_files/test.dat | 22 ++
.../model_files/train.dat | 111 +++++++++
.../test_log_regressor.py | 60 +++++
.../test_descriptor_identifier/test_model.py | 6 +-
.../test_regressor.py | 1 +
.../test_abs_diff_node.py | 0
.../test_feat_generation/test_abs_node.py | 0
.../test_feat_generation/test_add_node.py | 0
.../test_feat_generation/test_cb_node.py | 0
.../test_feat_generation/test_cbrt_node.py | 0
.../test_feat_generation/test_cos_node.py | 0
.../test_feat_generation/test_div_node.py | 0
.../test_feat_generation/test_exp_node.py | 0
.../test_feat_generation/test_inv_node.py | 0
.../test_feat_generation/test_log_node.py | 0
.../test_feat_generation/test_mult_node.py | 0
.../test_feat_generation/test_neg_exp_node.py | 0
.../test_feat_generation/test_sin_node.py | 0
.../test_feat_generation/test_six_pow_node.py | 0
.../test_feat_generation/test_sq_node.py | 0
.../test_feat_generation/test_sqrt_node.py | 0
.../test_feat_generation/test_sub_node.py | 0
.../test_feature_space/test_feature_space.py | 0
.../test_feature_space/test_units.py | 0
tests/{ => pytest}/test_sisso.py | 0
tests/sisso.json | 15 --
.../model_files/test.dat | 36 ---
.../model_files/train.dat | 95 --------
123 files changed, 1448 insertions(+), 424 deletions(-)
rename src/feature_creation/node/operator_nodes/allowed_operator_nodes/{ => abs}/absolute_value.cpp (98%)
rename src/feature_creation/node/operator_nodes/allowed_operator_nodes/{ => abs}/absolute_value.hpp (93%)
rename src/feature_creation/node/operator_nodes/allowed_operator_nodes/{ => abs_diff}/absolute_difference.cpp (99%)
rename src/feature_creation/node/operator_nodes/allowed_operator_nodes/{ => abs_diff}/absolute_difference.hpp (93%)
rename src/feature_creation/node/operator_nodes/allowed_operator_nodes/{ => add}/add.cpp (99%)
rename src/feature_creation/node/operator_nodes/allowed_operator_nodes/{ => add}/add.hpp (93%)
rename src/feature_creation/node/operator_nodes/allowed_operator_nodes/{ => cb}/cube.cpp (99%)
rename src/feature_creation/node/operator_nodes/allowed_operator_nodes/{ => cb}/cube.hpp (93%)
rename src/feature_creation/node/operator_nodes/allowed_operator_nodes/{ => cbrt}/cube_root.cpp (98%)
rename src/feature_creation/node/operator_nodes/allowed_operator_nodes/{ => cbrt}/cube_root.hpp (93%)
rename src/feature_creation/node/operator_nodes/allowed_operator_nodes/{ => cos}/cos.cpp (99%)
rename src/feature_creation/node/operator_nodes/allowed_operator_nodes/{ => cos}/cos.hpp (93%)
rename src/feature_creation/node/operator_nodes/allowed_operator_nodes/{ => div}/divide.cpp (99%)
rename src/feature_creation/node/operator_nodes/allowed_operator_nodes/{ => div}/divide.hpp (93%)
rename src/feature_creation/node/operator_nodes/allowed_operator_nodes/{ => exp}/exponential.cpp (99%)
rename src/feature_creation/node/operator_nodes/allowed_operator_nodes/{ => exp}/exponential.hpp (93%)
rename src/feature_creation/node/operator_nodes/allowed_operator_nodes/{ => inv}/inverse.cpp (99%)
rename src/feature_creation/node/operator_nodes/allowed_operator_nodes/{ => inv}/inverse.hpp (92%)
rename src/feature_creation/node/operator_nodes/allowed_operator_nodes/{ => log}/log.cpp (99%)
rename src/feature_creation/node/operator_nodes/allowed_operator_nodes/{ => log}/log.hpp (93%)
rename src/feature_creation/node/operator_nodes/allowed_operator_nodes/{ => mult}/multiply.cpp (99%)
rename src/feature_creation/node/operator_nodes/allowed_operator_nodes/{ => mult}/multiply.hpp (92%)
rename src/feature_creation/node/operator_nodes/allowed_operator_nodes/{ => neg_exp}/negative_exponential.cpp (98%)
rename src/feature_creation/node/operator_nodes/allowed_operator_nodes/{ => neg_exp}/negative_exponential.hpp (93%)
rename src/feature_creation/node/operator_nodes/allowed_operator_nodes/{ => sin}/sin.cpp (99%)
rename src/feature_creation/node/operator_nodes/allowed_operator_nodes/{ => sin}/sin.hpp (93%)
rename src/feature_creation/node/operator_nodes/allowed_operator_nodes/{ => sp}/sixth_power.cpp (99%)
rename src/feature_creation/node/operator_nodes/allowed_operator_nodes/{ => sp}/sixth_power.hpp (93%)
rename src/feature_creation/node/operator_nodes/allowed_operator_nodes/{ => sq}/square.cpp (99%)
rename src/feature_creation/node/operator_nodes/allowed_operator_nodes/{ => sq}/square.hpp (93%)
rename src/feature_creation/node/operator_nodes/allowed_operator_nodes/{ => sqrt}/square_root.cpp (98%)
rename src/feature_creation/node/operator_nodes/allowed_operator_nodes/{ => sqrt}/square_root.hpp (93%)
rename src/feature_creation/node/operator_nodes/allowed_operator_nodes/{ => sub}/subtract.cpp (99%)
rename src/feature_creation/node/operator_nodes/allowed_operator_nodes/{ => sub}/subtract.hpp (93%)
create mode 100644 tests/exec_test/classification/check_model.py
create mode 100644 tests/exec_test/classification/data.csv
create mode 100644 tests/exec_test/classification/sisso.json
rename tests/{ => exec_test/default}/data.csv (99%)
create mode 100644 tests/exec_test/default/sisso.json
create mode 100644 tests/exec_test/gen_proj/sisso.json
create mode 100644 tests/exec_test/log_reg/data.csv
create mode 100644 tests/exec_test/log_reg/sisso.json
create mode 100644 tests/exec_test/max_corr/sisso.json
create mode 100644 tests/pytest/data.csv
rename tests/{ => pytest}/test_classification/test_classification.py (93%)
create mode 100644 tests/pytest/test_descriptor_identifier/model_files/test.dat
create mode 100644 tests/pytest/test_descriptor_identifier/model_files/train.dat
create mode 100644 tests/pytest/test_descriptor_identifier/test_log_regressor.py
rename tests/{ => pytest}/test_descriptor_identifier/test_model.py (88%)
rename tests/{ => pytest}/test_descriptor_identifier/test_regressor.py (98%)
rename tests/{ => pytest}/test_feature_creation/test_feat_generation/test_abs_diff_node.py (100%)
rename tests/{ => pytest}/test_feature_creation/test_feat_generation/test_abs_node.py (100%)
rename tests/{ => pytest}/test_feature_creation/test_feat_generation/test_add_node.py (100%)
rename tests/{ => pytest}/test_feature_creation/test_feat_generation/test_cb_node.py (100%)
rename tests/{ => pytest}/test_feature_creation/test_feat_generation/test_cbrt_node.py (100%)
rename tests/{ => pytest}/test_feature_creation/test_feat_generation/test_cos_node.py (100%)
rename tests/{ => pytest}/test_feature_creation/test_feat_generation/test_div_node.py (100%)
rename tests/{ => pytest}/test_feature_creation/test_feat_generation/test_exp_node.py (100%)
rename tests/{ => pytest}/test_feature_creation/test_feat_generation/test_inv_node.py (100%)
rename tests/{ => pytest}/test_feature_creation/test_feat_generation/test_log_node.py (100%)
rename tests/{ => pytest}/test_feature_creation/test_feat_generation/test_mult_node.py (100%)
rename tests/{ => pytest}/test_feature_creation/test_feat_generation/test_neg_exp_node.py (100%)
rename tests/{ => pytest}/test_feature_creation/test_feat_generation/test_sin_node.py (100%)
rename tests/{ => pytest}/test_feature_creation/test_feat_generation/test_six_pow_node.py (100%)
rename tests/{ => pytest}/test_feature_creation/test_feat_generation/test_sq_node.py (100%)
rename tests/{ => pytest}/test_feature_creation/test_feat_generation/test_sqrt_node.py (100%)
rename tests/{ => pytest}/test_feature_creation/test_feat_generation/test_sub_node.py (100%)
rename tests/{ => pytest}/test_feature_creation/test_feature_space/test_feature_space.py (100%)
rename tests/{ => pytest}/test_feature_creation/test_feature_space/test_units.py (100%)
rename tests/{ => pytest}/test_sisso.py (100%)
delete mode 100644 tests/sisso.json
delete mode 100644 tests/test_descriptor_identifier/model_files/test.dat
delete mode 100644 tests/test_descriptor_identifier/model_files/train.dat
diff --git a/.gitlab-ci.yml b/.gitlab-ci.yml
index 8489ab6d..a55b6a3d 100644
--- a/.gitlab-ci.yml
+++ b/.gitlab-ci.yml
@@ -8,15 +8,15 @@ stages:
build-intel:
stage: build
script:
- - python -m venv sissopp_env
- - source sissopp_env/bin/activate
+ - python -m venv cpp_sisso_env
+ - source cpp_sisso_env/bin/activate
- mkdir build_intel/
- cd build_intel/
- export I_MPI_ROOT=/home/runner/intel/oneapi/mpi/2021.1-beta10/
- export INTEL_COMP_ROOT=/home/runner/intel/oneapi/compiler/2021.1-beta10/linux/
- export MKLROOT=/home/runner/intel/oneapi/mkl/2021.1-beta10/
- export LD_LIBRARY_PATH=$I_MPI_ROOT/lib/:$I_MPI_ROOT/lib/release:$MKLROOT/lib/intel64:$INTEL_COMP_ROOT/lib/:$INTEL_COMP_ROOT/compiler/lib/intel64/:$LD_LIBRARY_PATH:$HOME/intel/oneapi/intelpython/latest/lib/:$HOME/intel/oneapi/intelpython/latest/lib/python3.7
- - export PYTHONPATH=$HOME/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/:sissopp_env/lib/python3.7/site-packages/
+ - export PYTHONPATH=$HOME/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/:cpp_sisso_env/lib/python3.7/site-packages/
- export PATH=$INTEL_COMP_ROOT/bin/:$INTEL_COMP_ROOT/bin/intel64:$I_MPI_ROOT/bin:$PATH
- cmake -C ../cmake/toolchains/intel_py.cmake ../
- make
@@ -28,7 +28,7 @@ build-intel:
- bin/sisso++
- lib/boost/*
- lib/coin-or/*
- - sissopp_env/*
+ - cpp_sisso_env/*
expire_in: 1 days
test-intel-py:
@@ -36,12 +36,12 @@ test-intel-py:
dependencies:
- build-intel
script:
- - source sissopp_env/bin/activate
+ - source cpp_sisso_env/bin/activate
- export I_MPI_ROOT=/home/runner/intel/oneapi/mpi/2021.1-beta10/
- export INTEL_COMP_ROOT=/home/runner/intel/oneapi/compiler/2021.1-beta10/linux/
- export MKLROOT=/home/runner/intel/oneapi/mkl/2021.1-beta10/
- export LD_LIBRARY_PATH=$I_MPI_ROOT/lib/:$I_MPI_ROOT/lib/release:$MKLROOT/lib/intel64:$INTEL_COMP_ROOT/lib/:$INTEL_COMP_ROOT/compiler/lib/intel64/:$LD_LIBRARY_PATH:$HOME/intel/oneapi/intelpython/latest/lib/:$HOME/intel/oneapi/intelpython/latest/lib/python3.7
- - export PYTHONPATH=$HOME/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/:sissopp_env/lib/python3.7/site-packages/
+ - export PYTHONPATH=$HOME/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/:cpp_sisso_env/lib/python3.7/site-packages/
- export PATH=$INTEL_COMP_ROOT/bin/:$INTEL_COMP_ROOT/bin/intel64:$I_MPI_ROOT/bin:$PATH
- pytest tests
@@ -50,12 +50,12 @@ test-intel-bin:
dependencies:
- build-intel
script:
- - source sissopp_env/bin/activate
+ - source cpp_sisso_env/bin/activate
- export I_MPI_ROOT=/home/runner/intel/oneapi/mpi/2021.1-beta10/
- export INTEL_COMP_ROOT=/home/runner/intel/oneapi/compiler/2021.1-beta10/linux/
- export MKLROOT=/home/runner/intel/oneapi/mkl/2021.1-beta10/
- export LD_LIBRARY_PATH=$I_MPI_ROOT/lib/:$I_MPI_ROOT/lib/release:$MKLROOT/lib/intel64:$INTEL_COMP_ROOT/lib/:$INTEL_COMP_ROOT/compiler/lib/intel64/:$LD_LIBRARY_PATH:$HOME/intel/oneapi/intelpython/latest/lib/:$HOME/intel/oneapi/intelpython/latest/lib/python3.7
- - export PYTHONPATH=$HOME/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/:sissopp_env/lib/python3.7/site-packages/
+ - export PYTHONPATH=$HOME/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/:cpp_sisso_env/lib/python3.7/site-packages/
- export PATH=$INTEL_COMP_ROOT/bin/:$INTEL_COMP_ROOT/bin/intel64:$I_MPI_ROOT/bin:$PATH
- cd tests/exec_test/
- mpiexec -n 2 ../../bin/sisso++
@@ -65,10 +65,10 @@ build-gnu:
stage: build
script:
- conda info --envs
- - python -m venv sissopp_env
- - source sissopp_env/bin/activate
+ - python -m venv cpp_sisso_env
+ - source cpp_sisso_env/bin/activate
- export LD_LIBRARY_PATH=$HOME/intel/oneapi/intelpython/latest/lib/:$HOME/intel/oneapi/intelpython/latest/lib/python3.7:$LD_LIBRARY_PATH
- - export PYTHONPATH=$HOME/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/:sissopp_env/lib/python3.7/site-packages/
+ - export PYTHONPATH=$HOME/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/:cpp_sisso_env/lib/python3.7/site-packages/
- mkdir build_gcc/
- cd build_gcc/
- cmake -C ../cmake/toolchains/gnu_py.cmake ../
@@ -81,16 +81,16 @@ build-gnu:
- bin/sisso++
- lib/boost/*
- lib/coin-or/*
- - sissopp_env/*
+ - cpp_sisso_env/*
test-gnu-py:
stage: unit_test
dependencies:
- build-gnu
script:
- - source sissopp_env/bin/activate
+ - source cpp_sisso_env/bin/activate
- export LD_LIBRARY_PATH=$HOME/intel/oneapi/intelpython/latest/lib/:$HOME/intel/oneapi/intelpython/latest/lib/python3.7:$LD_LIBRARY_PATH
- - export PYTHONPATH=$HOME/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/:sissopp_env/lib/python3.7/site-packages/
+ - export PYTHONPATH=$HOME/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/:cpp_sisso_env/lib/python3.7/site-packages/
- pytest tests
test-gnu-bin:
@@ -98,9 +98,9 @@ test-gnu-bin:
dependencies:
- build-gnu
script:
- - source sissopp_env/bin/activate
+ - source cpp_sisso_env/bin/activate
- export LD_LIBRARY_PATH=$HOME/intel/oneapi/intelpython/latest/lib/:$HOME/intel/oneapi/intelpython/latest/lib/python3.7:$LD_LIBRARY_PATH
- - export PYTHONPATH=$HOME/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/:sissopp_env/lib/python3.7/site-packages/
+ - export PYTHONPATH=$HOME/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/:cpp_sisso_env/lib/python3.7/site-packages/
- cd tests/exec_test/
- mpiexec -n 2 ../../bin/sisso++
- python check_model.py
diff --git a/CMakeLists.txt b/CMakeLists.txt
index 41378b6b..3bbc9ebe 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -230,8 +230,8 @@ else(EXTERNAL_BOOST)
BUILD_IN_SOURCE 1
CONFIGURE_COMMAND ${Boost_CONFIGURE_COMMAND}
BUILD_COMMAND
- ./b2 -j ${BOOST_BUILD_N_PROCS}
- INSTALL_COMMAND ./b2 -j ${BOOST_BUILD_N_PROCS} install
+ ./b2 -j ${BOOST_BUILD_N_PROCS}
+ INSTALL_COMMAND ./b2 -j ${BOOST_BUILD_N_PROCS} install
INSTALL_DIR ${Boost_INSTALL_DIR}
)
@@ -327,9 +327,6 @@ ExternalProject_Add(
external_Clp
PREFIX "external/coin-Clp"
URL ${COIN_CLP_URL}
- # SVN_REPOSITORY "https://projects.coin-or.org/svn/Clp/stable/1.17"
- # BUILD_IN_SOURCE 1
- # CONFIGURE_COMMAND "${CMAKE_CURRENT_BINARY_DIR}/external/coin-Clp/src/external_Clp/configure"
CONFIGURE_COMMAND "${COIN_CLP_CONFIGURE_COMMAND}"
BUILD_COMMAND make -j ${BOOST_BUILD_N_PROCS}
INSTALL_COMMAND make install
diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt
index b1014794..e1586e48 100644
--- a/src/CMakeLists.txt
+++ b/src/CMakeLists.txt
@@ -15,14 +15,27 @@ include_directories(${CMAKE_CURRENT_LIST_DIR}/utils/)
set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -Wno-deprecated-declarations")
set(CMAKE_INSTALL_RPATH ${Boost_LIBRARY_DIRS};${LAPACK_DIR};${MPI_DIR};${COIN_CLP_LIBRARY_DIRS};${COIN_UTILS_LIBRARY_DIRS};${CMAKE_CURRENT_LIST_DIR}/../lib/;${CMAKE_CURRENT_LIST_DIR}/../lib/coin-or)
-# set(INSTALL_RPATH ${Boost_LIB_DIR})
file(GLOB_RECURSE SISSOPP_SOURCES *.cpp)
file(GLOB_RECURSE NOT_SISSOPP_SOURCES python/*.cpp)
list(REMOVE_ITEM SISSOPP_SOURCES ${NOT_SISSOPP_SOURCES})
+list(REMOVE_ITEM SISSOPP_SOURCES ${CMAKE_CURRENT_LIST_DIR}/main.cpp)
configure_file(${CMAKE_CURRENT_SOURCE_DIR}/sisso++_config.hpp.in ${CMAKE_CURRENT_BINARY_DIR}/sisso++_config.hpp)
-add_executable(sisso++ ${SISSOPP_SOURCES})
+add_library(libsisso SHARED ${SISSOPP_SOURCES})
+set_target_properties(libsisso
+ PROPERTIES
+ ARCHIVE_OUTPUT_DIRECTORY "${CMAKE_BINARY_DIR}/lib"
+ LIBRARY_OUTPUT_DIRECTORY "${CMAKE_BINARY_DIR}/lib"
+ RUNTIME_OUTPUT_DIRECTORY "${CMAKE_BINARY_DIR}/bin"
+ PREFIX ""
+ SUFFIX ".so"
+)
+target_link_libraries(libsisso ${LAPACK_LIBRARIES} ${MPI_LIBRARIES} -Wl,--rpath=${Boost_LIB_DIR} -Wl,--rpath=${LAPACK_DIR} ${Boost_LIBRARIES} ${COIN_CLP_LIBRARIES} ${OPENMP_LIBRARIES})
+install(TARGETS libsisso DESTINATION ${CMAKE_CURRENT_LIST_DIR}/../lib/)
+set(CMAKE_INSTALL_RPATH ${Boost_LIBRARY_DIRS};${LAPACK_DIR};${MPI_DIR};${COIN_CLP_LIBRARY_DIRS};${COIN_UTILS_LIBRARY_DIRS};${CMAKE_CURRENT_LIST_DIR}/../lib/;${CMAKE_CURRENT_LIST_DIR}/../lib/coin-or)
+
+add_executable(sisso++ ${CMAKE_CURRENT_LIST_DIR}/main.cpp)
set_target_properties(sisso++
PROPERTIES
@@ -31,23 +44,21 @@ set_target_properties(sisso++
RUNTIME_OUTPUT_DIRECTORY "${CMAKE_BINARY_DIR}/bin"
)
-target_link_libraries(sisso++ ${LAPACK_LIBRARIES} ${MPI_LIBRARIES} -Wl,--rpath=${Boost_LIB_DIR} -Wl,--rpath=${LAPACK_DIR} ${Boost_LIBRARIES} ${COIN_CLP_LIBRARIES} ${OPENMP_LIBRARIES})
+target_link_libraries(sisso++ libsisso ${LAPACK_LIBRARIES} ${MPI_LIBRARIES} -Wl,--rpath=${Boost_LIB_DIR} -Wl,--rpath=${LAPACK_DIR} ${Boost_LIBRARIES} ${COIN_CLP_LIBRARIES} ${OPENMP_LIBRARIES})
install(TARGETS sisso++ DESTINATION ${CMAKE_CURRENT_LIST_DIR}/../bin/)
if(USE_PYTHON)
include(${CMAKE_CURRENT_LIST_DIR}/../cmake/TransferDocStrings.cmake)
- set(CMAKE_INSTALL_RPATH "${Boost_LIBRARY_DIRS};${PYTHON_PREFIX}/lib/;${MPI_DIR};${COIN_CLP_LIBRARY_DIRS};${COIN_UTILS_LIBRARY_DIRS};${CMAKE_CURRENT_LIST_DIR}/../lib/;;${CMAKE_CURRENT_LIST_DIR}/../lib/coin-or")
+ set(CMAKE_INSTALL_RPATH ${PYTHON_PREFIX}/lib/;${Boost_LIBRARY_DIRS};${LAPACK_DIR};${MPI_DIR};${COIN_CLP_LIBRARY_DIRS};${COIN_UTILS_LIBRARY_DIRS};${CMAKE_CURRENT_LIST_DIR}/../lib/;${PYTHON_INSTDIR}/cpp_sisso/)
transfer_doc_string(${CMAKE_CURRENT_LIST_DIR}/python/bindings_docstring_keyed.cpp ${CMAKE_CURRENT_LIST_DIR}/python/bindings.cpp)
transfer_doc_string(${CMAKE_CURRENT_LIST_DIR}/python/bindings_docstring_keyed.hpp ${CMAKE_CURRENT_LIST_DIR}/python/bindings.hpp)
- file(GLOB_RECURSE SISSOLIB_SOURCES *.cpp)
- list(REMOVE_ITEM SISSOLIB_SOURCES ${CMAKE_CURRENT_LIST_DIR}/main.cpp)
+ file(GLOB_RECURSE SISSOLIB_SOURCES ${CMAKE_CURRENT_LIST_DIR}/python/*cpp)
list(REMOVE_ITEM SISSOLIB_SOURCES ${CMAKE_CURRENT_LIST_DIR}/python/bindings_docstring_keyed.cpp)
# set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -DPY_BINDINGS")
add_library(_sisso SHARED ${SISSOLIB_SOURCES})
-
configure_file(${CMAKE_CURRENT_SOURCE_DIR}/python/__init__.py ${CMAKE_CURRENT_LIST_DIR}/python/__init__.py COPYONLY)
set_target_properties(_sisso
@@ -59,8 +70,10 @@ if(USE_PYTHON)
PREFIX ""
SUFFIX ".so"
)
- target_link_libraries(_sisso ${MPI_LIBRARIES} -Wl,--rpath=${PYTHON_PREFIX}/lib/ ${LAPACK_LIBRARIES} ${PYTHON_LIBRARIES} -Wl,--rpath=${Boost_LIB_DIR} ${Boost_LIBRARIES} ${Boost_PYTHON_LIBRARIES} ${COIN_CLP_LIBRARIES} ${OPENMP_LIBRARIES})
+ target_link_libraries(_sisso libsisso ${MPI_LIBRARIES} -Wl,--rpath=${PYTHON_PREFIX}/lib/ ${LAPACK_LIBRARIES} ${PYTHON_LIBRARIES} -Wl,--rpath=${Boost_LIB_DIR} ${Boost_LIBRARIES} ${Boost_PYTHON_LIBRARIES} ${COIN_CLP_LIBRARIES} ${OPENMP_LIBRARIES})
+
install(TARGETS _sisso DESTINATION "${PYTHON_INSTDIR}/cpp_sisso")
+ install(TARGETS libsisso DESTINATION "${PYTHON_INSTDIR}/cpp_sisso/")
install(
DIRECTORY ${CMAKE_CURRENT_LIST_DIR}/python/ DESTINATION ${PYTHON_INSTDIR}/cpp_sisso
FILES_MATCHING PATTERN "*.py"
diff --git a/src/descriptor_identifier/Model/Model.cpp b/src/descriptor_identifier/Model/Model.cpp
index 50f0316f..641fa01e 100644
--- a/src/descriptor_identifier/Model/Model.cpp
+++ b/src/descriptor_identifier/Model/Model.cpp
@@ -1,6 +1,6 @@
#include <descriptor_identifier/Model/Model.hpp>
-Model::Model(Unit prop_unit, std::vector<double> prop_train, std::vector<double> prop_test, std::vector<model_node_ptr> feats, std::vector<int> task_sizes_train, std::vector<int> task_sizes_test, bool fix_intercept) :
+Model::Model(std::string prop_label, Unit prop_unit, std::vector<double> prop_train, std::vector<double> prop_test, std::vector<model_node_ptr> feats, std::vector<int> task_sizes_train, std::vector<int> task_sizes_test, bool fix_intercept) :
_n_samp_train(feats[0]->n_samp()),
_n_samp_test(feats[0]->n_test_samp()),
_n_dim(feats.size()),
@@ -11,6 +11,7 @@ Model::Model(Unit prop_unit, std::vector<double> prop_train, std::vector<double>
_D_test(_n_samp_test * (feats.size() + (1 - fix_intercept))),
_task_sizes_train(task_sizes_train),
_task_sizes_test(task_sizes_test),
+ _prop_label(prop_label),
_prop_unit(prop_unit),
_fix_intercept(fix_intercept)
{}
diff --git a/src/descriptor_identifier/Model/Model.hpp b/src/descriptor_identifier/Model/Model.hpp
index 3f068691..6dfca9d3 100644
--- a/src/descriptor_identifier/Model/Model.hpp
+++ b/src/descriptor_identifier/Model/Model.hpp
@@ -51,6 +51,7 @@ protected:
std::vector<int> _task_sizes_train; //!< Number of training samples in each task
std::vector<int> _task_sizes_test; //!< Number of testing samples in each task
+ std::string _prop_label; //!< label for the model
Unit _prop_unit; //!< The Unit for the property
bool _fix_intercept; //!< If true fix intercept to 0
@@ -64,6 +65,7 @@ public:
/**
* @brief Constructor for the model
*
+ * @param prop_label The unit of the property
* @param prop_unit The unit of the property
* @param prop_train The property vector for the training samples
* @param prop_test The property vector for the test samples
@@ -71,7 +73,7 @@ public:
* @param task_sizes_train Number of samples per task in the training data
* @param task_sizes_test Number of samples per task in the test data
*/
- Model(Unit prop_unit, std::vector<double> prop_train, std::vector<double> prop_test, std::vector<model_node_ptr> feats, std::vector<int> task_sizes_train, std::vector<int> task_sizes_test, bool fix_intercept);
+ Model(std::string prop_label, Unit prop_unit, std::vector<double> prop_train, std::vector<double> prop_test, std::vector<model_node_ptr> feats, std::vector<int> task_sizes_train, std::vector<int> task_sizes_test, bool fix_intercept);
/**
* @brief Copy Constructor
@@ -126,6 +128,13 @@ public:
*/
inline Unit prop_unit(){return _prop_unit;}
+ // DocString: model_prop_label
+ /**
+ * @brief The label for the property
+ * @return The label for the property
+ */
+ inline std::string prop_label(){return _prop_label;}
+
/**
* @brief Convert the Model into an output file
*
@@ -196,4 +205,4 @@ public:
#endif
};
-#endif
\ No newline at end of file
+#endif
diff --git a/src/descriptor_identifier/Model/ModelClassifier.cpp b/src/descriptor_identifier/Model/ModelClassifier.cpp
index 365c6abf..1078d27c 100644
--- a/src/descriptor_identifier/Model/ModelClassifier.cpp
+++ b/src/descriptor_identifier/Model/ModelClassifier.cpp
@@ -1,7 +1,7 @@
#include <descriptor_identifier/Model/ModelClassifier.hpp>
-ModelClassifier::ModelClassifier(Unit prop_unit, std::vector<double> prop_train, std::vector<double> prop_test, std::vector<model_node_ptr> feats, std::vector<int> task_sizes_train, std::vector<int> task_sizes_test, bool fix_intercept) :
- Model(prop_unit, prop_train, prop_test, feats, task_sizes_train, task_sizes_test, fix_intercept),
+ModelClassifier::ModelClassifier(std::string prop_label, Unit prop_unit, std::vector<double> prop_train, std::vector<double> prop_test, std::vector<model_node_ptr> feats, std::vector<int> task_sizes_train, std::vector<int> task_sizes_test, bool fix_intercept) :
+ Model(prop_label, prop_unit, prop_train, prop_test, feats, task_sizes_train, task_sizes_test, fix_intercept),
_prop_train_est(_prop_train),
_prop_test_est(_prop_test),
_train_error(_n_samp_train),
@@ -67,17 +67,18 @@ ModelClassifier::ModelClassifier(std::string train_file)
_task_sizes_test = std::vector<int>(_task_sizes_train.size(), 0);
for(int ff = 0; ff < feature_expr_train.size(); ++ff)
{
- split_str = str_utils::split_string_trim(feature_expr_train[ff]);
+ split_str = str_utils::split_string_trim(feature_expr_train[ff], ";");
int rung = std::stoi(split_str[0]);
std::string unit_str = split_str[1];
std::string postfix_expr = split_str[2];
std::string expr = split_str[3];
+ std::string latex_expr = split_str[4];
std::vector<double> feat_val(_n_samp_train);
std::vector<double> feat_test_val = {};
std::copy_n(&_D_train[ff * _n_samp_train], _n_samp_train, feat_val.data());
- model_node_ptr feat = std::make_shared<ModelNode>(ff, rung, expr, postfix_expr, feat_val, feat_test_val, Unit(unit_str));
+ model_node_ptr feat = std::make_shared<ModelNode>(ff, rung, expr, latex_expr, postfix_expr, feat_val, feat_test_val, Unit(unit_str));
_feats.push_back(feat);
}
@@ -100,12 +101,13 @@ ModelClassifier::ModelClassifier(std::string train_file, std::string test_file)
if(feature_expr_train[ff] != feature_expr_test[ff])
throw std::logic_error("Features for train and test file do not agree");
- split_str = str_utils::split_string_trim(feature_expr_train[ff]);
+ split_str = str_utils::split_string_trim(feature_expr_train[ff], ";");
int rung = std::stoi(split_str[0]);
std::string unit_str = split_str[1];
std::string postfix_expr = split_str[2];
std::string expr = split_str[3];
+ std::string latex_expr = split_str[4];
std::vector<double> feat_val(_n_samp_train);
std::vector<double> feat_test_val(_n_samp_test);
@@ -113,7 +115,7 @@ ModelClassifier::ModelClassifier(std::string train_file, std::string test_file)
std::copy_n(&_D_train[ff * _n_samp_train], _n_samp_train, feat_val.data());
std::copy_n(&_D_test[ff * _n_samp_test], _n_samp_test, feat_test_val.data());
- _feats.push_back(std::make_shared<ModelNode>(ff, rung, expr, postfix_expr, feat_val, feat_test_val, Unit(unit_str)));
+ _feats.push_back(std::make_shared<ModelNode>(ff, rung, expr, latex_expr, postfix_expr, feat_val, feat_test_val, Unit(unit_str)));
}
int file_train_n_convex_overlap = _train_n_convex_overlap;
@@ -147,11 +149,13 @@ std::vector<std::string> ModelClassifier::populate_model(std::string filename, b
if(unit_line.substr(0, 42).compare("# # Samples in Convex Hull Overlap Region:") != 0)
{
split_line = str_utils::split_string_trim(unit_line);
+ _prop_label = split_line[1];
_prop_unit = Unit(split_line.back());
std::getline(file_stream, error_line);
}
else
{
+ _prop_label = "Property";
_prop_unit = Unit();
error_line = unit_line;
}
@@ -413,6 +417,16 @@ std::string ModelClassifier::toString() const
return unit_rep.str();
}
+std::string ModelClassifier::toLatexString() const
+{
+ std::stringstream unit_rep;
+ unit_rep << "[" << _feats[0]->latex_expr();
+ for(int ff = 1; ff < _feats.size(); ++ff)
+ unit_rep << ", " << _feats[ff]->latex_expr();
+ unit_rep << "]";
+ return unit_rep.str();
+}
+
std::ostream& operator<< (std::ostream& outStream, const ModelClassifier& model)
{
outStream << model.toString();
@@ -428,7 +442,7 @@ void ModelClassifier::to_file(std::string filename, bool train, std::vector<int>
out_file_stream.open(filename);
out_file_stream << "# " << toString() << std::endl;
- out_file_stream << "# Property of the Unit: " << _prop_unit.toString() << std::endl;
+ out_file_stream << "# Property Label: $" << str_utils::latexify(_prop_label) << "$; Unit of the Property: " << _prop_unit.toString() << std::endl;
if(train)
out_file_stream << "# # Samples in Convex Hull Overlap Region: " << _train_n_convex_overlap << "; # SVM Misclassified: " << std::setprecision(15) << n_svm_misclassified_train() << std::endl;
else
@@ -455,7 +469,7 @@ void ModelClassifier::to_file(std::string filename, bool train, std::vector<int>
out_file_stream << "# Feature Rung, Units, and Expressions" << std::endl;
for(int ff = 0; ff < _feats.size(); ++ff)
- out_file_stream << std::setw(6) << std::left << "# " + std::to_string(ff) + ", " << std::to_string(_feats[ff]->rung()) + ", " << std::setw(50) << _feats[ff]->unit().toString() + ", " << _feats[ff]->postfix_expr() + "," << _feats[ff]->expr() << std::endl;
+ out_file_stream << std::setw(6) << std::left << "# " + std::to_string(ff) + "; " << std::to_string(_feats[ff]->rung()) + "; " << std::setw(50) << _feats[ff]->unit().toString() + "; " << _feats[ff]->postfix_expr() + "; " << _feats[ff]->expr() + "; " << _feats[ff]->latex_expr() << std::endl;
out_file_stream << "# Number of Samples Per Task" << std::endl;
if(train)
diff --git a/src/descriptor_identifier/Model/ModelClassifier.hpp b/src/descriptor_identifier/Model/ModelClassifier.hpp
index 030a0f09..35840cb3 100644
--- a/src/descriptor_identifier/Model/ModelClassifier.hpp
+++ b/src/descriptor_identifier/Model/ModelClassifier.hpp
@@ -68,7 +68,7 @@ public:
* @param task_sizes_train Number of samples per task in the training data
* @param task_sizes_test Number of samples per task in the test data
*/
- ModelClassifier(Unit prop_unit, std::vector<double> prop_train, std::vector<double> prop_test, std::vector<model_node_ptr> feats, std::vector<int> task_sizes_train, std::vector<int> task_sizes_test, bool fix_intercept);
+ ModelClassifier(std::string prop_label, Unit prop_unit, std::vector<double> prop_train, std::vector<double> prop_test, std::vector<model_node_ptr> feats, std::vector<int> task_sizes_train, std::vector<int> task_sizes_test, bool fix_intercept);
// DocString: model_class_init_str
/**
@@ -136,6 +136,14 @@ public:
*/
std::string toString() const;
+ // DocString: model_class_latex_str
+ /**
+ * @brief Convert the model to a latexified string
+
+ * @return The string representation of the model
+ */
+ std::string toLatexString() const;
+
/**
* @brief Copy the error into a new array
*
@@ -256,4 +264,4 @@ public:
*/
std::ostream& operator<< (std::ostream& outStream, const ModelClassifier& model);
-#endif
\ No newline at end of file
+#endif
diff --git a/src/descriptor_identifier/Model/ModelLogRegressor.cpp b/src/descriptor_identifier/Model/ModelLogRegressor.cpp
index 969edca5..7a86f6f2 100644
--- a/src/descriptor_identifier/Model/ModelLogRegressor.cpp
+++ b/src/descriptor_identifier/Model/ModelLogRegressor.cpp
@@ -1,7 +1,7 @@
#include <descriptor_identifier/Model/ModelLogRegressor.hpp>
-ModelLogRegressor::ModelLogRegressor(Unit prop_unit, std::vector<double> prop_train, std::vector<double> prop_test, std::vector<model_node_ptr> feats, std::vector<int> task_sizes_train, std::vector<int> task_sizes_test, bool fix_intercept) :
- ModelRegressor(prop_unit, prop_train, prop_test, feats, task_sizes_train, task_sizes_test, fix_intercept),
+ModelLogRegressor::ModelLogRegressor(std::string prop_label, Unit prop_unit, std::vector<double> prop_train, std::vector<double> prop_test, std::vector<model_node_ptr> feats, std::vector<int> task_sizes_train, std::vector<int> task_sizes_test, bool fix_intercept) :
+ ModelRegressor(prop_label, prop_unit, prop_train, prop_test, feats, task_sizes_train, task_sizes_test, fix_intercept),
_log_prop_train(_n_samp_train, 0.0),
_log_prop_test(_n_samp_test, 0.0),
_log_prop_train_est(_n_samp_train, 0.0),
@@ -109,8 +109,18 @@ std::string ModelLogRegressor::toString() const
return unit_rep.str();
}
+std::string ModelLogRegressor::toLatexString() const
+{
+ std::stringstream unit_rep;
+ unit_rep << "$c_0";
+ for(int ff = 0; ff < _feats.size(); ++ff)
+ unit_rep << "\\left(" << _feats[ff]->get_latex_expr("") << "\\right)^{a_" << ff << "}";
+ unit_rep << "$";
+ return unit_rep.str();
+}
+
std::ostream& operator<< (std::ostream& outStream, const ModelLogRegressor& model)
{
outStream << model.toString();
return outStream;
-}
\ No newline at end of file
+}
diff --git a/src/descriptor_identifier/Model/ModelLogRegressor.hpp b/src/descriptor_identifier/Model/ModelLogRegressor.hpp
index 00cd3037..73be5d6b 100644
--- a/src/descriptor_identifier/Model/ModelLogRegressor.hpp
+++ b/src/descriptor_identifier/Model/ModelLogRegressor.hpp
@@ -46,7 +46,7 @@ public:
* @param task_sizes_train Number of samples per task in the training data
* @param task_sizes_test Number of samples per task in the test data
*/
- ModelLogRegressor(Unit prop_unit, std::vector<double> prop_train, std::vector<double> prop_test, std::vector<model_node_ptr> feats, std::vector<int> task_sizes_train, std::vector<int> task_sizes_test, bool fix_intercept);
+ ModelLogRegressor(std::string prop_label, Unit prop_unit, std::vector<double> prop_train, std::vector<double> prop_test, std::vector<model_node_ptr> feats, std::vector<int> task_sizes_train, std::vector<int> task_sizes_test, bool fix_intercept);
// DocString: model_log_reg_init_str
/**
@@ -103,6 +103,14 @@ public:
*/
std::string toString() const;
+ // DocString: model_log_reg_latex_str
+ /**
+ * @brief Convert the model to a latexified string
+
+ * @return The string representation of the model
+ */
+ std::string toLatexString() const;
+
/**
* @brief Copy the error into a new array
*
@@ -119,4 +127,4 @@ public:
*/
std::ostream& operator<< (std::ostream& outStream, const ModelLogRegressor& model);
-#endif
\ No newline at end of file
+#endif
diff --git a/src/descriptor_identifier/Model/ModelRegressor.cpp b/src/descriptor_identifier/Model/ModelRegressor.cpp
index 3e5116db..5522cfc6 100644
--- a/src/descriptor_identifier/Model/ModelRegressor.cpp
+++ b/src/descriptor_identifier/Model/ModelRegressor.cpp
@@ -1,7 +1,7 @@
#include <descriptor_identifier/Model/ModelRegressor.hpp>
-ModelRegressor::ModelRegressor(Unit prop_unit, std::vector<double> prop_train, std::vector<double> prop_test, std::vector<model_node_ptr> feats, std::vector<int> task_sizes_train, std::vector<int> task_sizes_test, bool fix_intercept) :
- Model(prop_unit, prop_train, prop_test, feats, task_sizes_train, task_sizes_test, fix_intercept),
+ModelRegressor::ModelRegressor(std::string prop_label, Unit prop_unit, std::vector<double> prop_train, std::vector<double> prop_test, std::vector<model_node_ptr> feats, std::vector<int> task_sizes_train, std::vector<int> task_sizes_test, bool fix_intercept) :
+ Model(prop_label, prop_unit, prop_train, prop_test, feats, task_sizes_train, task_sizes_test, fix_intercept),
_prop_train_est(_n_samp_train, 0.0),
_prop_test_est(_n_samp_test, 0.0),
_train_error(_n_samp_train),
@@ -66,17 +66,19 @@ ModelRegressor::ModelRegressor(std::string train_file)
for(int ff = 0; ff < feature_expr_train.size(); ++ff)
{
- split_str = str_utils::split_string_trim(feature_expr_train[ff]);
+ split_str = str_utils::split_string_trim(feature_expr_train[ff], ";");
+
int rung = std::stoi(split_str[0]);
std::string unit_str = split_str[1];
std::string postfix_expr = split_str[2];
std::string expr = split_str[3];
+ std::string latex_expr = split_str[4];
std::vector<double> feat_val(_n_samp_train);
std::vector<double> feat_test_val = {};
std::copy_n(&_D_train[ff * _n_samp_train], _n_samp_train, feat_val.data());
- model_node_ptr feat = std::make_shared<ModelNode>(ff, rung, expr, postfix_expr, feat_val, feat_test_val, Unit(unit_str));
+ model_node_ptr feat = std::make_shared<ModelNode>(ff, rung, expr, latex_expr, postfix_expr, feat_val, feat_test_val, Unit(unit_str));
_feats.push_back(feat);
}
@@ -93,12 +95,13 @@ ModelRegressor::ModelRegressor(std::string train_file, std::string test_file)
if(feature_expr_train[ff] != feature_expr_test[ff])
throw std::logic_error("Features for train and test file do not agree");
- split_str = str_utils::split_string_trim(feature_expr_train[ff]);
+ split_str = str_utils::split_string_trim(feature_expr_train[ff], ";");
int rung = std::stoi(split_str[0]);
std::string unit_str = split_str[1];
std::string postfix_expr = split_str[2];
std::string expr = split_str[3];
+ std::string latex_expr = split_str[4];
std::vector<double> feat_val(_n_samp_train);
std::vector<double> feat_test_val(_n_samp_test);
@@ -106,7 +109,7 @@ ModelRegressor::ModelRegressor(std::string train_file, std::string test_file)
std::copy_n(&_D_train[ff * _n_samp_train], _n_samp_train, feat_val.data());
std::copy_n(&_D_test[ff * _n_samp_test], _n_samp_test, feat_test_val.data());
- _feats.push_back(std::make_shared<ModelNode>(ff, rung, expr, postfix_expr, feat_val, feat_test_val, Unit(unit_str)));
+ _feats.push_back(std::make_shared<ModelNode>(ff, rung, expr, latex_expr, postfix_expr, feat_val, feat_test_val, Unit(unit_str)));
}
}
@@ -130,11 +133,13 @@ std::vector<std::string> ModelRegressor::populate_model(std::string filename, bo
if(unit_line.substr(0, 8).compare("# RMSE: ") != 0)
{
split_line = str_utils::split_string_trim(unit_line);
+ _prop_label = split_line[1];
_prop_unit = Unit(split_line.back());
std::getline(file_stream, error_line);
}
else
{
+ _prop_label = "Property";
_prop_unit = Unit();
error_line = unit_line;
}
@@ -170,7 +175,7 @@ std::vector<std::string> ModelRegressor::populate_model(std::string filename, bo
else
_fix_intercept = false;
- _n_dim = n_dim + 1 - _fix_intercept;
+ _n_dim = n_dim;
std::getline(file_stream, line);
for(int ff = 0; ff < n_dim; ++ff)
@@ -263,6 +268,16 @@ std::string ModelRegressor::toString() const
return unit_rep.str();
}
+std::string ModelRegressor::toLatexString() const
+{
+ std::stringstream unit_rep;
+ unit_rep << "$c_0";
+ for(int ff = 0; ff < _feats.size(); ++ff)
+ unit_rep << " + a_" << std::to_string(ff) << _feats[ff]->get_latex_expr("");
+ unit_rep << "$";
+ return unit_rep.str();
+}
+
std::ostream& operator<< (std::ostream& outStream, const ModelRegressor& model)
{
outStream << model.toString();
@@ -278,7 +293,7 @@ void ModelRegressor::to_file(std::string filename, bool train, std::vector<int>
out_file_stream.open(filename);
out_file_stream << "# " << toString() << std::endl;
- out_file_stream << "# Property of the Unit: " << _prop_unit.toString() << std::endl;
+ out_file_stream << "# Property Label: $" << str_utils::latexify(_prop_label) << "$; Unit of the Property: " << _prop_unit.toString() << std::endl;
if(train)
out_file_stream << "# RMSE: " << std::setprecision(15) << rmse() << "; Max AE: " << max_ae() << std::endl;
else
@@ -305,7 +320,7 @@ void ModelRegressor::to_file(std::string filename, bool train, std::vector<int>
out_file_stream << "# Feature Rung, Units, and Expressions" << std::endl;
for(int ff = 0; ff < _feats.size(); ++ff)
- out_file_stream << std::setw(6) << std::left << "# " + std::to_string(ff) + ", " << std::to_string(_feats[ff]->rung()) + ", " << std::setw(50) << _feats[ff]->unit().toString() + ", " << _feats[ff]->postfix_expr() + "," << _feats[ff]->expr() << std::endl;
+ out_file_stream << std::setw(6) << std::left << "# " + std::to_string(ff) + "; " << std::to_string(_feats[ff]->rung()) + "; " << std::setw(50) << _feats[ff]->unit().toString() + "; " << _feats[ff]->postfix_expr() + "; " << _feats[ff]->expr() + "; " << _feats[ff]->latex_expr() << std::endl;
out_file_stream << "# Number of Samples Per Task" << std::endl;
if(train)
diff --git a/src/descriptor_identifier/Model/ModelRegressor.hpp b/src/descriptor_identifier/Model/ModelRegressor.hpp
index be1419b2..a12973fa 100644
--- a/src/descriptor_identifier/Model/ModelRegressor.hpp
+++ b/src/descriptor_identifier/Model/ModelRegressor.hpp
@@ -54,7 +54,7 @@ public:
* @param task_sizes_train Number of samples per task in the training data
* @param task_sizes_test Number of samples per task in the test data
*/
- ModelRegressor(Unit prop_unit, std::vector<double> prop_train, std::vector<double> prop_test, std::vector<model_node_ptr> feats, std::vector<int> task_sizes_train, std::vector<int> task_sizes_test, bool fix_intercept);
+ ModelRegressor(std::string prop_label, Unit prop_unit, std::vector<double> prop_train, std::vector<double> prop_test, std::vector<model_node_ptr> feats, std::vector<int> task_sizes_train, std::vector<int> task_sizes_test, bool fix_intercept);
// DocString: model_reg_init_str
/**
@@ -122,6 +122,14 @@ public:
*/
virtual std::string toString() const;
+ // DocString: model_reg_latex_str
+ /**
+ * @brief Convert the model to a latexified string
+
+ * @return The string representation of the model
+ */
+ std::string toLatexString() const;
+
/**
* @brief Copy the error into a new array
*
@@ -141,6 +149,18 @@ public:
*/
inline double test_rmse(){return util_funcs::norm(_test_error.data(), _n_samp_test) / std::sqrt(static_cast<double>(_n_samp_test));}
+ // DocString: model_reg_r2
+ /**
+ * @brief The training R^2 of the model
+ */
+ inline double r2(){return util_funcs::r2(_prop_train.data(), _prop_train_est.data(), _n_samp_train);}
+
+ // DocString: model_reg_test_r2
+ /**
+ * @brief The test R^2 of the model
+ */
+ inline double test_r2(){return util_funcs::r2(_prop_test.data(), _prop_test_est.data(), _n_samp_test);}
+
// DocString: model_reg_max_ae
/**
* @brief The max Absolute error of the training data
@@ -303,4 +323,4 @@ public:
*/
std::ostream& operator<< (std::ostream& outStream, const ModelRegressor& model);
-#endif
\ No newline at end of file
+#endif
diff --git a/src/descriptor_identifier/SISSO_DI/SISSOClassifier.cpp b/src/descriptor_identifier/SISSO_DI/SISSOClassifier.cpp
index 0c1baad2..dfa994e3 100644
--- a/src/descriptor_identifier/SISSO_DI/SISSOClassifier.cpp
+++ b/src/descriptor_identifier/SISSO_DI/SISSOClassifier.cpp
@@ -2,6 +2,7 @@
SISSOClassifier::SISSOClassifier(
std::shared_ptr<FeatureSpace> feat_space,
+ std::string prop_label,
Unit prop_unit,
std::vector<double> prop,
std::vector<double> prop_test,
@@ -12,7 +13,7 @@ SISSOClassifier::SISSOClassifier(
int n_residual,
int n_models_store
):
- SISSO_DI(feat_space, prop_unit, prop, prop_test, task_sizes_train, task_sizes_test, leave_out_inds, n_dim, n_residual, n_models_store, false),
+ SISSO_DI(feat_space, prop_label, prop_unit, prop, prop_test, task_sizes_train, task_sizes_test, leave_out_inds, n_dim, n_residual, n_models_store, false),
_c(1000.0),
_width(1.0e-5),
_n_class(1)
@@ -258,10 +259,10 @@ void SISSOClassifier::l0_norm(std::vector<double>& prop, int n_dim)
for(int ii = 0; ii < n_dim; ++ii)
{
int index = all_min_inds[inds[rr] * n_dim + ii];
- min_nodes[ii] = std::make_shared<ModelNode>(_feat_space->phi_selected()[index]->arr_ind(), _feat_space->phi_selected()[index]->rung(), _feat_space->phi_selected()[index]->expr(), _feat_space->phi_selected()[index]->postfix_expr(), _feat_space->phi_selected()[index]->value(), _feat_space->phi_selected()[index]->test_value(), _feat_space->phi_selected()[index]->unit());
+ min_nodes[ii] = std::make_shared<ModelNode>(_feat_space->phi_selected()[index]->arr_ind(), _feat_space->phi_selected()[index]->rung(), _feat_space->phi_selected()[index]->expr(), _feat_space->phi_selected()[index]->latex_expr(), _feat_space->phi_selected()[index]->postfix_expr(), _feat_space->phi_selected()[index]->value(), _feat_space->phi_selected()[index]->test_value(), _feat_space->phi_selected()[index]->unit());
}
- models.push_back(ModelClassifier(_prop_unit, _prop, _prop_test, min_nodes, _task_sizes_train, _task_sizes_test, _fix_intercept));
+ models.push_back(ModelClassifier(_prop_label, _prop_unit, _prop, _prop_test, min_nodes, _task_sizes_train, _task_sizes_test, _fix_intercept));
}
_models.push_back(models);
@@ -282,7 +283,7 @@ void SISSOClassifier::fit()
_mpi_comm->barrier();
double duration = omp_get_wtime() - start;
if(_mpi_comm->rank() == 0)
- std::cout << "Time for SIS: " << duration << std::endl;
+ std::cout << "Time for SIS: " << duration << " s" << std::endl;
start = omp_get_wtime();
l0_norm(_prop, dd);
@@ -291,7 +292,7 @@ void SISSOClassifier::fit()
duration = omp_get_wtime() - start;
if(_mpi_comm->rank() == 0)
{
- std::cout << "Time for l0-norm: " << duration << std::endl;
+ std::cout << "Time for l0-norm: " << duration << " s" << std::endl;
for(int rr = 0; rr < _n_models_store; ++rr)
{
_models.back()[rr].to_file("models/train_dim_" + std::to_string(dd) + "_model_" + std::to_string(rr) + ".dat");
diff --git a/src/descriptor_identifier/SISSO_DI/SISSOClassifier.hpp b/src/descriptor_identifier/SISSO_DI/SISSOClassifier.hpp
index 9049edf7..26594906 100644
--- a/src/descriptor_identifier/SISSO_DI/SISSOClassifier.hpp
+++ b/src/descriptor_identifier/SISSO_DI/SISSOClassifier.hpp
@@ -57,7 +57,7 @@ public:
* @param n_residual Number of residuals to pass to the next SIS operation
* @param n_models_store Number of features to store in files
*/
- SISSOClassifier(std::shared_ptr<FeatureSpace> feat_space, Unit prop_unit, std::vector<double> prop, std::vector<double> prop_test, std::vector<int> task_sizes_train, std::vector<int> task_sizes_test, std::vector<int> leave_out_inds, int n_dim, int n_residual, int n_models_store);
+ SISSOClassifier(std::shared_ptr<FeatureSpace> feat_space, std::string prop_label, Unit prop_unit, std::vector<double> prop, std::vector<double> prop_test, std::vector<int> task_sizes_train, std::vector<int> task_sizes_test, std::vector<int> leave_out_inds, int n_dim, int n_residual, int n_models_store);
/**
* @brief Check to ensure all classes in prop_test are in prop
@@ -146,6 +146,7 @@ public:
*/
SISSOClassifier(
std::shared_ptr<FeatureSpace> feat_space,
+ std::string prop_label,
Unit prop_unit,
np::ndarray prop,
np::ndarray prop_test,
@@ -175,6 +176,7 @@ public:
*/
SISSOClassifier(
std::shared_ptr<FeatureSpace> feat_space,
+ std::string prop_label,
Unit prop_unit,
py::list prop,
py::list prop_test,
diff --git a/src/descriptor_identifier/SISSO_DI/SISSOLogRegressor.cpp b/src/descriptor_identifier/SISSO_DI/SISSOLogRegressor.cpp
index 1391454b..4a1c42c9 100644
--- a/src/descriptor_identifier/SISSO_DI/SISSOLogRegressor.cpp
+++ b/src/descriptor_identifier/SISSO_DI/SISSOLogRegressor.cpp
@@ -2,6 +2,7 @@
SISSOLogRegressor::SISSOLogRegressor(
std::shared_ptr<FeatureSpace> feat_space,
+ std::string prop_label,
Unit prop_unit,
std::vector<double> prop,
std::vector<double> prop_test,
@@ -13,7 +14,7 @@ SISSOLogRegressor::SISSOLogRegressor(
int n_models_store,
bool fix_intercept
):
- SISSORegressor(feat_space, prop_unit, prop, prop_test, task_sizes_train, task_sizes_test, leave_out_inds, n_dim, n_residual, n_models_store, fix_intercept),
+ SISSORegressor(feat_space, prop_label, prop_unit, prop, prop_test, task_sizes_train, task_sizes_test, leave_out_inds, n_dim, n_residual, n_models_store, fix_intercept),
_prop_no_log(prop)
{
if(*std::min_element(prop.begin(), prop.end()) <= 0.0)
@@ -64,9 +65,9 @@ void SISSOLogRegressor::add_model(std::vector<int> indexes)
for(int ii = 0; ii < indexes.size(); ++ii)
{
int index = indexes[ii];
- min_nodes[ii] = std::make_shared<ModelNode>(_feat_space->phi_selected()[index]->arr_ind(), _feat_space->phi_selected()[index]->rung(), _feat_space->phi_selected()[index]->expr(), _feat_space->phi_selected()[index]->postfix_expr(), _feat_space->phi_selected()[index]->value(), _feat_space->phi_selected()[index]->test_value(), _feat_space->phi_selected()[index]->unit());
+ min_nodes[ii] = std::make_shared<ModelNode>(_feat_space->phi_selected()[index]->arr_ind(), _feat_space->phi_selected()[index]->rung(), _feat_space->phi_selected()[index]->expr(), _feat_space->phi_selected()[index]->latex_expr(), _feat_space->phi_selected()[index]->postfix_expr(), _feat_space->phi_selected()[index]->value(), _feat_space->phi_selected()[index]->test_value(), _feat_space->phi_selected()[index]->unit());
}
- ModelLogRegressor model(_prop_unit, _prop_no_log, _prop_test, min_nodes, _task_sizes_train, _task_sizes_test, _fix_intercept);
+ ModelLogRegressor model(_prop_label, _prop_unit, _prop_no_log, _prop_test, min_nodes, _task_sizes_train, _task_sizes_test, _fix_intercept);
_models.back().push_back(model);
}
diff --git a/src/descriptor_identifier/SISSO_DI/SISSOLogRegressor.hpp b/src/descriptor_identifier/SISSO_DI/SISSOLogRegressor.hpp
index 6404eed0..81e33ec7 100644
--- a/src/descriptor_identifier/SISSO_DI/SISSOLogRegressor.hpp
+++ b/src/descriptor_identifier/SISSO_DI/SISSOLogRegressor.hpp
@@ -46,7 +46,7 @@ public:
* @param n_models_store Number of features to store in files
* @param fix_intrecept If true fix intercept to 0
*/
- SISSOLogRegressor(std::shared_ptr<FeatureSpace> feat_space, Unit prop_unit, std::vector<double> prop, std::vector<double> prop_test, std::vector<int> task_sizes_train, std::vector<int> task_sizes_test, std::vector<int> leave_out_inds, int n_dim, int n_residual, int n_models_store, bool fix_intercept=false);
+ SISSOLogRegressor(std::shared_ptr<FeatureSpace> feat_space, std::string prop_label, Unit prop_unit, std::vector<double> prop, std::vector<double> prop_test, std::vector<int> task_sizes_train, std::vector<int> task_sizes_test, std::vector<int> leave_out_inds, int n_dim, int n_residual, int n_models_store, bool fix_intercept=false);
/**
* @brief Set the A matrix for the least squares problem
@@ -113,6 +113,7 @@ public:
*/
SISSOLogRegressor(
std::shared_ptr<FeatureSpace> feat_space,
+ std::string prop_label,
Unit prop_unit,
np::ndarray prop,
np::ndarray prop_test,
@@ -143,6 +144,7 @@ public:
*/
SISSOLogRegressor(
std::shared_ptr<FeatureSpace> feat_space,
+ std::string prop_label,
Unit prop_unit,
py::list prop,
py::list prop_test,
@@ -160,7 +162,7 @@ public:
* @brief The selected models (cpp definition in <python/descriptor_identifier/SISSO_DI.cpp)
* @return models as a python list
*/
- py::list models_py();
+ py::list models_log_reg_py();
#endif
};
diff --git a/src/descriptor_identifier/SISSO_DI/SISSORegressor.cpp b/src/descriptor_identifier/SISSO_DI/SISSORegressor.cpp
index ff2fa968..c32d044e 100644
--- a/src/descriptor_identifier/SISSO_DI/SISSORegressor.cpp
+++ b/src/descriptor_identifier/SISSO_DI/SISSORegressor.cpp
@@ -2,6 +2,7 @@
SISSORegressor::SISSORegressor(
std::shared_ptr<FeatureSpace> feat_space,
+ std::string prop_label,
Unit prop_unit,
std::vector<double> prop,
std::vector<double> prop_test,
@@ -13,7 +14,7 @@ SISSORegressor::SISSORegressor(
int n_models_store,
bool fix_intercept
):
- SISSO_DI(feat_space, prop_unit, prop, prop_test, task_sizes_train, task_sizes_test, leave_out_inds, n_dim, n_residual, n_models_store, fix_intercept)
+ SISSO_DI(feat_space, prop_label, prop_unit, prop, prop_test, task_sizes_train, task_sizes_test, leave_out_inds, n_dim, n_residual, n_models_store, fix_intercept)
{}
void SISSORegressor::set_a(std::vector<int>& inds, int start, int n_samp, double* a)
@@ -87,9 +88,9 @@ void SISSORegressor::add_model(std::vector<int> indexes)
for(int ii = 0; ii < indexes.size(); ++ii)
{
int index = indexes[ii];
- min_nodes[ii] = std::make_shared<ModelNode>(_feat_space->phi_selected()[index]->arr_ind(), _feat_space->phi_selected()[index]->rung(), _feat_space->phi_selected()[index]->expr(), _feat_space->phi_selected()[index]->postfix_expr(), _feat_space->phi_selected()[index]->value(), _feat_space->phi_selected()[index]->test_value(), _feat_space->phi_selected()[index]->unit());
+ min_nodes[ii] = std::make_shared<ModelNode>(_feat_space->phi_selected()[index]->arr_ind(), _feat_space->phi_selected()[index]->rung(), _feat_space->phi_selected()[index]->expr(), _feat_space->phi_selected()[index]->latex_expr(), _feat_space->phi_selected()[index]->postfix_expr(), _feat_space->phi_selected()[index]->value(), _feat_space->phi_selected()[index]->test_value(), _feat_space->phi_selected()[index]->unit());
}
- _models.back().push_back(ModelRegressor(_prop_unit, _prop, _prop_test, min_nodes, _task_sizes_train, _task_sizes_test, _fix_intercept));
+ _models.back().push_back(ModelRegressor(_prop_label, _prop_unit, _prop, _prop_test, min_nodes, _task_sizes_train, _task_sizes_test, _fix_intercept));
}
void SISSORegressor::output_models(std::vector<double>& residual)
@@ -216,7 +217,7 @@ void SISSORegressor::fit()
_mpi_comm->barrier();
double duration = omp_get_wtime() - start;
if(_mpi_comm->rank() == 0)
- std::cout << "Time for SIS: " << duration << std::endl;
+ std::cout << "Time for SIS: " << duration << " s" << std::endl;
start = omp_get_wtime();
l0_norm(_prop, dd);
@@ -225,7 +226,7 @@ void SISSORegressor::fit()
duration = duration = omp_get_wtime() - start;
if(_mpi_comm->rank() == 0)
- std::cout << "Time for l0-norm: " << duration << std::endl;
+ std::cout << "Time for l0-norm: " << duration << " s" << std::endl;
output_models(residual);
}
}
diff --git a/src/descriptor_identifier/SISSO_DI/SISSORegressor.hpp b/src/descriptor_identifier/SISSO_DI/SISSORegressor.hpp
index 3df14621..9fee0da8 100644
--- a/src/descriptor_identifier/SISSO_DI/SISSORegressor.hpp
+++ b/src/descriptor_identifier/SISSO_DI/SISSORegressor.hpp
@@ -48,7 +48,7 @@ public:
* @param n_models_store Number of features to store in files
* @param fix_intrecept If true fix intercept to 0
*/
- SISSORegressor(std::shared_ptr<FeatureSpace> feat_space, Unit prop_unit, std::vector<double> prop, std::vector<double> prop_test, std::vector<int> task_sizes_train, std::vector<int> task_sizes_test, std::vector<int> leave_out_inds, int n_dim, int n_residual, int n_models_store, bool fix_intercept=false);
+ SISSORegressor(std::shared_ptr<FeatureSpace> feat_space, std::string prop_label, Unit prop_unit, std::vector<double> prop, std::vector<double> prop_test, std::vector<int> task_sizes_train, std::vector<int> task_sizes_test, std::vector<int> leave_out_inds, int n_dim, int n_residual, int n_models_store, bool fix_intercept=false);
/**
* @brief Set the residual for the next step
@@ -140,6 +140,7 @@ public:
*/
SISSORegressor(
std::shared_ptr<FeatureSpace> feat_space,
+ std::string prop_label,
Unit prop_unit,
np::ndarray prop,
np::ndarray prop_test,
@@ -170,6 +171,7 @@ public:
*/
SISSORegressor(
std::shared_ptr<FeatureSpace> feat_space,
+ std::string prop_label,
Unit prop_unit,
py::list prop,
py::list prop_test,
@@ -187,7 +189,7 @@ public:
* @brief The selected models (cpp definition in <python/descriptor_identifier/SISSO_DI.cpp)
* @return models as a python list
*/
- virtual py::list models_py();
+ py::list models_py();
#endif
};
diff --git a/src/descriptor_identifier/SISSO_DI/SISSO_DI.cpp b/src/descriptor_identifier/SISSO_DI/SISSO_DI.cpp
index aa856397..d8e2cf59 100644
--- a/src/descriptor_identifier/SISSO_DI/SISSO_DI.cpp
+++ b/src/descriptor_identifier/SISSO_DI/SISSO_DI.cpp
@@ -2,6 +2,7 @@
SISSO_DI::SISSO_DI(
std::shared_ptr<FeatureSpace> feat_space,
+ std::string prop_label,
Unit prop_unit,
std::vector<double> prop,
std::vector<double> prop_test,
@@ -19,6 +20,7 @@ SISSO_DI::SISSO_DI(
_task_sizes_train(task_sizes_train),
_task_sizes_test(task_sizes_test),
_leave_out_inds(leave_out_inds),
+ _prop_label(prop_label),
_prop_unit(prop_unit),
_feat_space(feat_space),
_mpi_comm(feat_space->mpi_comm()),
diff --git a/src/descriptor_identifier/SISSO_DI/SISSO_DI.hpp b/src/descriptor_identifier/SISSO_DI/SISSO_DI.hpp
index 4b622050..f59e000b 100644
--- a/src/descriptor_identifier/SISSO_DI/SISSO_DI.hpp
+++ b/src/descriptor_identifier/SISSO_DI/SISSO_DI.hpp
@@ -36,6 +36,7 @@ protected:
std::vector<int> _leave_out_inds; //!< List of indexes from the initial data file in the test set
Unit _prop_unit; //!< The Unit for the property
+ std::string _prop_label; //!< The label for the property
std::shared_ptr<FeatureSpace> _feat_space; //!< Feature Space for the problem
std::shared_ptr<MPI_Interface> _mpi_comm; //!< MPI Communicator
@@ -52,6 +53,7 @@ public:
* @brief Constructor for the Regressor
*
* @param feat_space The feature space to run SISSO on
+ * @param prop_label The label for the property
* @param prop_unit The unit of the property
* @param prop Vector storing all data to train the SISSO models with
* @param prpo_test Vector storing all data to test the SISSO models with
@@ -63,7 +65,7 @@ public:
* @param n_models_store Number of features to store in files
* @param fix_intrecept If true fix intercept to 0
*/
- SISSO_DI(std::shared_ptr<FeatureSpace> feat_space, Unit prop_unit, std::vector<double> prop, std::vector<double> prop_test, std::vector<int> task_sizes_train, std::vector<int> task_sizes_test, std::vector<int> leave_out_inds, int n_dim, int n_residual, int n_models_store, bool fix_intercept=false);
+ SISSO_DI(std::shared_ptr<FeatureSpace> feat_space, std::string prop_label, Unit prop_unit, std::vector<double> prop, std::vector<double> prop_test, std::vector<int> task_sizes_train, std::vector<int> task_sizes_test, std::vector<int> leave_out_inds, int n_dim, int n_residual, int n_models_store, bool fix_intercept=false);
/**
* @brief Perform SISSO to generate the models
@@ -129,6 +131,7 @@ public:
* @brief Constructor for the Regressor that takes in python objects (cpp definition in <python/descriptor_identifier/SISSO_DI.cpp)
*
* @param feat_space The feature space to run SISSO on
+ * @param prop_label The label for the property
* @param prop_unit The unit of the property
* @param prop Vector storing all data to train the SISSO models with
* @param prpo_test Vector storing all data to test the SISSO models with
@@ -142,6 +145,7 @@ public:
*/
SISSO_DI(
std::shared_ptr<FeatureSpace> feat_space,
+ std::string prop_label,
Unit prop_unit,
np::ndarray prop,
np::ndarray prop_test,
@@ -159,6 +163,7 @@ public:
* @brief Constructor for the Regressor that takes in python objects (cpp definition in <python/descriptor_identifier/SISSO_DI.cpp)
*
* @param feat_space The feature space to run SISSO on
+ * @param prop_label The label for the property
* @param prop_unit The unit of the property
* @param prop Vector storing all data to train the SISSO models with
* @param prpo_test Vector storing all data to test the SISSO models with
@@ -172,6 +177,7 @@ public:
*/
SISSO_DI(
std::shared_ptr<FeatureSpace> feat_space,
+ std::string prop_label,
Unit prop_unit,
py::list prop,
py::list prop_test,
diff --git a/src/feature_creation/feature_space/FeatureSpace.cpp b/src/feature_creation/feature_space/FeatureSpace.cpp
index 847f609a..0827d4e9 100644
--- a/src/feature_creation/feature_space/FeatureSpace.cpp
+++ b/src/feature_creation/feature_space/FeatureSpace.cpp
@@ -121,8 +121,11 @@ void FeatureSpace::initialize_fs(std::vector<double> prop, std::string project_t
}
double start = omp_get_wtime();
generate_feature_space(prop);
+ _mpi_comm->barrier();
double duration = omp_get_wtime() - start;
- std::cout << "time to generate feat sapce: " << duration << std::endl;
+ if(_mpi_comm->rank() == 0)
+ std::cout << "time to generate feat sapce: " << duration << " s" << std::endl;
+
_scores.reserve(_phi.size());
_scores.resize(_phi.size());
}
@@ -547,7 +550,7 @@ void FeatureSpace::sis(std::vector<double>& prop)
_mpi_comm->barrier();
if(_mpi_comm->rank() == 0)
- std::cout << "Projection time: " << omp_get_wtime() - start << std::endl;
+ std::cout << "Projection time: " << omp_get_wtime() - start << " s" << std::endl;
std::vector<int> inds = util_funcs::argsort(_scores);
diff --git a/src/feature_creation/feature_space/FeatureSpace.hpp b/src/feature_creation/feature_space/FeatureSpace.hpp
index d5c25fc1..f0f554f6 100644
--- a/src/feature_creation/feature_space/FeatureSpace.hpp
+++ b/src/feature_creation/feature_space/FeatureSpace.hpp
@@ -420,8 +420,8 @@ public:
* @param ind index of the feature to get
* @return A ModelNode of the feature at index ind
*/
- inline ModelNode get_feature(int ind){return ModelNode(_phi[ind]->d_mat_ind(), _phi[ind]->rung(), _phi[ind]->expr(), _phi[ind]->postfix_expr(), _phi[ind]->value(), _phi[ind]->test_value(), _phi[ind]->unit());}
+ inline ModelNode get_feature(int ind){return ModelNode(_phi[ind]->d_mat_ind(), _phi[ind]->rung(), _phi[ind]->expr(), _phi[ind]->latex_expr(), _phi[ind]->postfix_expr(), _phi[ind]->value(), _phi[ind]->test_value(), _phi[ind]->unit());}
#endif
};
-#endif
\ No newline at end of file
+#endif
diff --git a/src/feature_creation/node/FeatureNode.hpp b/src/feature_creation/node/FeatureNode.hpp
index 265e0695..5c09ee5b 100644
--- a/src/feature_creation/node/FeatureNode.hpp
+++ b/src/feature_creation/node/FeatureNode.hpp
@@ -11,6 +11,7 @@
#include <utils/math_funcs.hpp>
#include <utils/enum.hpp>
+#include <utils/string_utils.hpp>
#include <memory>
@@ -138,6 +139,12 @@ public:
*/
inline std::string expr()const{return _expr;}
+ // DocString: feat_node_latex_expr
+ /**
+ * @brief Get the latexified expression for the overall feature (From root node down)
+ */
+ inline std::string get_latex_expr(std::string cap){return str_utils::latexify(_expr);}
+
// DocString: feat_node_unit
/**
* @brief The unit of the primary feature
diff --git a/src/feature_creation/node/ModelNode.cpp b/src/feature_creation/node/ModelNode.cpp
index dc5d3376..e4ea9cc0 100644
--- a/src/feature_creation/node/ModelNode.cpp
+++ b/src/feature_creation/node/ModelNode.cpp
@@ -3,10 +3,11 @@
ModelNode::ModelNode()
{}
-ModelNode::ModelNode(int feat_ind, int rung, std::string expr, std::string post_fix_expr, std::vector<double> value, std::vector<double> test_value, Unit unit) :
+ModelNode::ModelNode(int feat_ind, int rung, std::string expr, std::string latex_expr, std::string post_fix_expr, std::vector<double> value, std::vector<double> test_value, Unit unit) :
FeatureNode(feat_ind, expr, value, test_value, unit, false),
_value_svm(_n_samp),
_test_value_svm(_n_test_samp),
+ _latex_expr(latex_expr),
_expr_postfix(post_fix_expr),
_b_remap_svm(0.0),
_w_remap_svm(1.0),
diff --git a/src/feature_creation/node/ModelNode.hpp b/src/feature_creation/node/ModelNode.hpp
index 0640d11d..7a390296 100644
--- a/src/feature_creation/node/ModelNode.hpp
+++ b/src/feature_creation/node/ModelNode.hpp
@@ -39,12 +39,14 @@ protected:
std::vector<double> _value_svm; //!< Value of the feature converted to a range of -1.0 to 1.0
std::vector<double> _test_value_svm; //!< Value of the feature converted to a range of -1.0 to 1.0
+ std::string _expr_postfix; //!< postfix expression for the feature
+ std::string _latex_expr; //!< postfix expression for the feature
+
double _b_remap_svm; //!< value to remap the b from SVM to real life
double _w_remap_svm; //!< value to remap the w from SVM to real life
int _rung; //!< rung of the feature
- std::string _expr_postfix; //!< postfix expression for the feature
public:
/**
* @brief Base Constructor
@@ -62,7 +64,7 @@ public:
* @param value Value of the feature for each test sample
* @param unit Unit of the feature
*/
- ModelNode(int feat_ind, int rung, std::string expr, std::string expr_postfix, std::vector<double> value, std::vector<double> test_value, Unit unit);
+ ModelNode(int feat_ind, int rung, std::string expr, std::string latex_expr, std::string expr_postfix, std::vector<double> value, std::vector<double> test_value, Unit unit);
/**
* @brief Copy Constructor
@@ -182,6 +184,12 @@ public:
*/
inline std::string get_postfix_term(){return _expr_postfix;}
+ // DocString: model_node_latex_expr
+ /**
+ * @brief Get the latexified expression for the overall feature (From root node down)
+ */
+ inline std::string get_latex_expr(std::string cap){return cap + _latex_expr.substr(1, _latex_expr.size() - 2) + cap;}
+
/**
* @brief update the dictionary used to check if an Add/Sub node is valid
*
diff --git a/src/feature_creation/node/Node.hpp b/src/feature_creation/node/Node.hpp
index c7cb6be0..0e86e69a 100644
--- a/src/feature_creation/node/Node.hpp
+++ b/src/feature_creation/node/Node.hpp
@@ -190,6 +190,18 @@ public:
*/
virtual std::string expr() = 0;
+ // DocString: node_latex_expr
+ /**
+ * @brief Get the latexified expression for the overall feature (From root node down)
+ */
+ virtual std::string get_latex_expr(std::string cap) = 0;
+
+ // DocString: node_latex_expr
+ /**
+ * @brief Get the latexified expression for the overall feature (From root node down)
+ */
+ inline std::string latex_expr(){return get_latex_expr("$");}
+
// DocString: node_unit
/**
* @brief Get the unit for the overall feature (From root node down)
@@ -365,4 +377,4 @@ class InvalidFeatureException: public std::exception
return "Invalid Feature created";
}
};
-#endif
\ No newline at end of file
+#endif
diff --git a/src/feature_creation/node/operator_nodes/OperatorNode.hpp b/src/feature_creation/node/operator_nodes/OperatorNode.hpp
index 5c5c97f1..6ed29b45 100644
--- a/src/feature_creation/node/operator_nodes/OperatorNode.hpp
+++ b/src/feature_creation/node/operator_nodes/OperatorNode.hpp
@@ -105,6 +105,12 @@ public:
*/
virtual std::string expr() = 0;
+ // DocString: node_latex_expr
+ /**
+ * @brief Get the latexified expression for the overall feature (From root node down)
+ */
+ virtual std::string get_latex_expr(std::string cap) = 0;
+
// DocString: op_node_unit
/**
* @brief Get the unit of the feature (combine the units of _feats)
diff --git a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/absolute_value.cpp b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/abs/absolute_value.cpp
similarity index 98%
rename from src/feature_creation/node/operator_nodes/allowed_operator_nodes/absolute_value.cpp
rename to src/feature_creation/node/operator_nodes/allowed_operator_nodes/abs/absolute_value.cpp
index a7ca28ba..58522a9e 100644
--- a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/absolute_value.cpp
+++ b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/abs/absolute_value.cpp
@@ -1,4 +1,4 @@
-#include <feature_creation/node/operator_nodes/allowed_operator_nodes/absolute_value.hpp>
+#include <feature_creation/node/operator_nodes/allowed_operator_nodes/abs/absolute_value.hpp>
void generateAbsNode(std::vector<node_ptr>& feat_list, node_ptr feat, int& feat_ind, double l_bound, double u_bound)
{
@@ -69,4 +69,4 @@ void AbsNode::set_test_value(int offset)
{
offset = (offset == -1) ? rung() : offset;
allowed_op_funcs::abs(_n_test_samp, _feats[0]->test_value_ptr(offset + 2), node_value_arrs::get_test_value_ptr(_arr_ind, _feat_ind, offset));
-}
\ No newline at end of file
+}
diff --git a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/absolute_value.hpp b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/abs/absolute_value.hpp
similarity index 93%
rename from src/feature_creation/node/operator_nodes/allowed_operator_nodes/absolute_value.hpp
rename to src/feature_creation/node/operator_nodes/allowed_operator_nodes/abs/absolute_value.hpp
index 978e3a34..eca203c6 100644
--- a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/absolute_value.hpp
+++ b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/abs/absolute_value.hpp
@@ -71,6 +71,15 @@ public:
*/
inline std::string expr(){return "|" + _feats[0]->expr() + "|";}
+ // DocString: abs_node_latex_expr
+ /**
+ * @brief Get the expression for the overall feature (From root node down)
+ */
+ inline std::string get_latex_expr(std::string cap)
+ {
+ return cap + "\\left(\\left|" + _feats[0]->get_latex_expr("") + "\\right|\\right)" + cap;
+ }
+
// DocString: abs_node_set_value
/**
* @brief Set the values of the training data for the feature inside of the value storage arrays
@@ -127,4 +136,4 @@ public:
};
void generateAbsNode(std::vector<node_ptr>& feat_list, node_ptr feat, int& feat_ind, double l_bound, double u_bound);
-#endif
\ No newline at end of file
+#endif
diff --git a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/absolute_difference.cpp b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/abs_diff/absolute_difference.cpp
similarity index 99%
rename from src/feature_creation/node/operator_nodes/allowed_operator_nodes/absolute_difference.cpp
rename to src/feature_creation/node/operator_nodes/allowed_operator_nodes/abs_diff/absolute_difference.cpp
index 3bd70cd8..b64158f5 100644
--- a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/absolute_difference.cpp
+++ b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/abs_diff/absolute_difference.cpp
@@ -1,4 +1,4 @@
-#include <feature_creation/node/operator_nodes/allowed_operator_nodes/absolute_difference.hpp>
+#include <feature_creation/node/operator_nodes/allowed_operator_nodes/abs_diff/absolute_difference.hpp>
void generateAbsDiffNode(std::vector<node_ptr>& feat_list, node_ptr feat_1, node_ptr feat_2, int& feat_ind, double l_bound, double u_bound)
{
@@ -98,4 +98,4 @@ void AbsDiffNode::set_test_value(int offset)
{
offset = (offset == -1) ? rung() : offset;
allowed_op_funcs::abs_diff(_n_test_samp, _feats[0]->test_value_ptr(offset + 2), _feats[1]->test_value_ptr(offset + 1), node_value_arrs::get_test_value_ptr(_arr_ind, _feat_ind, offset));
-}
\ No newline at end of file
+}
diff --git a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/absolute_difference.hpp b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/abs_diff/absolute_difference.hpp
similarity index 93%
rename from src/feature_creation/node/operator_nodes/allowed_operator_nodes/absolute_difference.hpp
rename to src/feature_creation/node/operator_nodes/allowed_operator_nodes/abs_diff/absolute_difference.hpp
index ce6508a4..57f9bc0b 100644
--- a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/absolute_difference.hpp
+++ b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/abs_diff/absolute_difference.hpp
@@ -74,6 +74,15 @@ public:
*/
inline std::string expr(){return "|" + _feats[0]->expr() + " - (" + _feats[1]->expr() + ")|";}
+ // DocString: abs_diff_node_latex_expr
+ /**
+ * @brief Get the expression for the overall feature (From root node down)
+ */
+ inline std::string get_latex_expr(std::string cap)
+ {
+ return cap + "\\left(\\left|" + _feats[0]->get_latex_expr("") + " + " + _feats[1]->get_latex_expr("") + "\\right|\\right)" + cap;
+ }
+
// DocString: abs_diff_node_set_value
/**
* @brief Set the values of the training data for the feature inside of the value storage arrays
@@ -131,4 +140,4 @@ public:
void generateAbsDiffNode(std::vector<node_ptr>& feat_list, node_ptr feat_1, node_ptr feat_2, int& feat_ind, double l_bound, double u_bound);
-#endif
\ No newline at end of file
+#endif
diff --git a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/add.cpp b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/add/add.cpp
similarity index 99%
rename from src/feature_creation/node/operator_nodes/allowed_operator_nodes/add.cpp
rename to src/feature_creation/node/operator_nodes/allowed_operator_nodes/add/add.cpp
index 406312da..ff104922 100644
--- a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/add.cpp
+++ b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/add/add.cpp
@@ -1,4 +1,4 @@
-#include <feature_creation/node/operator_nodes/allowed_operator_nodes/add.hpp>
+#include <feature_creation/node/operator_nodes/allowed_operator_nodes/add/add.hpp>
void generateAddNode(std::vector<node_ptr>& feat_list, node_ptr feat_1, node_ptr feat_2, int& feat_ind, double l_bound, double u_bound)
{
@@ -92,4 +92,4 @@ void AddNode::set_test_value(int offset)
{
offset = (offset == -1) ? rung() : offset;
allowed_op_funcs::add(_n_test_samp, _feats[0]->test_value_ptr(offset + 2), _feats[1]->test_value_ptr(offset + 1), node_value_arrs::get_test_value_ptr(_arr_ind, _feat_ind, offset));
-}
\ No newline at end of file
+}
diff --git a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/add.hpp b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/add/add.hpp
similarity index 93%
rename from src/feature_creation/node/operator_nodes/allowed_operator_nodes/add.hpp
rename to src/feature_creation/node/operator_nodes/allowed_operator_nodes/add/add.hpp
index d9783c99..cbddcf22 100644
--- a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/add.hpp
+++ b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/add/add.hpp
@@ -71,6 +71,15 @@ public:
*/
inline std::string expr(){return "(" + _feats[0]->expr() + " + " + _feats[1]->expr() + ")";}
+ // DocString: add_node_latex_expr
+ /**
+ * @brief Get the expression for the overall feature (From root node down)
+ */
+ inline std::string get_latex_expr(std::string cap)
+ {
+ return cap + "\\left(" + _feats[0]->get_latex_expr("") + " + " + _feats[1]->get_latex_expr("") + "\\right)" + cap;
+ }
+
// DocString: add_node_set_value
/**
* @brief Set the values of the training data for the feature inside of the value storage arrays
@@ -127,4 +136,4 @@ public:
};
void generateAddNode(std::vector<node_ptr>& feat_list, node_ptr feat_1, node_ptr feat_2, int& feat_ind, double l_bound, double u_bound);
-#endif
\ No newline at end of file
+#endif
diff --git a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/cube.cpp b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/cb/cube.cpp
similarity index 99%
rename from src/feature_creation/node/operator_nodes/allowed_operator_nodes/cube.cpp
rename to src/feature_creation/node/operator_nodes/allowed_operator_nodes/cb/cube.cpp
index 4fb759c8..cb122965 100644
--- a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/cube.cpp
+++ b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/cb/cube.cpp
@@ -1,4 +1,4 @@
-#include <feature_creation/node/operator_nodes/allowed_operator_nodes/cube.hpp>
+#include <feature_creation/node/operator_nodes/allowed_operator_nodes/cb/cube.hpp>
void generateCbNode(std::vector<node_ptr>& feat_list, node_ptr feat, int& feat_ind, double l_bound, double u_bound)
{
@@ -63,4 +63,4 @@ void CbNode::set_test_value(int offset)
{
offset = (offset == -1) ? rung() : offset;
allowed_op_funcs::cb(_n_test_samp, _feats[0]->test_value_ptr(offset + 2), node_value_arrs::get_test_value_ptr(_arr_ind, _feat_ind, offset));
-}
\ No newline at end of file
+}
diff --git a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/cube.hpp b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/cb/cube.hpp
similarity index 93%
rename from src/feature_creation/node/operator_nodes/allowed_operator_nodes/cube.hpp
rename to src/feature_creation/node/operator_nodes/allowed_operator_nodes/cb/cube.hpp
index f031c9d6..9b04c88e 100644
--- a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/cube.hpp
+++ b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/cb/cube.hpp
@@ -69,6 +69,15 @@ public:
*/
inline std::string expr(){return "(" + _feats[0]->expr() + ")^3";}
+ // DocString: cb_node_latex_expr
+ /**
+ * @brief Get the expression for the overall feature (From root node down)
+ */
+ inline std::string get_latex_expr(std::string cap)
+ {
+ return cap + "\\left(" + _feats[0]->get_latex_expr("") + "^3\\right)" + cap;
+ }
+
// DocString: cb_node_set_value
/**
* @brief Set the values of the training data for the feature inside of the value storage arrays
@@ -125,4 +134,4 @@ public:
};
void generateCbNode(std::vector<node_ptr>& feat_list, node_ptr feat, int& feat_ind, double l_bound, double u_bound);
-#endif
\ No newline at end of file
+#endif
diff --git a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/cube_root.cpp b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/cbrt/cube_root.cpp
similarity index 98%
rename from src/feature_creation/node/operator_nodes/allowed_operator_nodes/cube_root.cpp
rename to src/feature_creation/node/operator_nodes/allowed_operator_nodes/cbrt/cube_root.cpp
index 4ae8730d..f48f3368 100644
--- a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/cube_root.cpp
+++ b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/cbrt/cube_root.cpp
@@ -1,4 +1,4 @@
-#include <feature_creation/node/operator_nodes/allowed_operator_nodes/cube_root.hpp>
+#include <feature_creation/node/operator_nodes/allowed_operator_nodes/cbrt/cube_root.hpp>
void generateCbrtNode(std::vector<node_ptr>& feat_list, node_ptr feat, int& feat_ind, double l_bound, double u_bound)
{
@@ -64,4 +64,4 @@ void CbrtNode::set_test_value(int offset)
{
offset = (offset == -1) ? rung() : offset;
allowed_op_funcs::cbrt(_n_test_samp, _feats[0]->test_value_ptr(offset + 2), node_value_arrs::get_test_value_ptr(_arr_ind, _feat_ind, offset));
-}
\ No newline at end of file
+}
diff --git a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/cube_root.hpp b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/cbrt/cube_root.hpp
similarity index 93%
rename from src/feature_creation/node/operator_nodes/allowed_operator_nodes/cube_root.hpp
rename to src/feature_creation/node/operator_nodes/allowed_operator_nodes/cbrt/cube_root.hpp
index a786ad6c..d6add3fd 100644
--- a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/cube_root.hpp
+++ b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/cbrt/cube_root.hpp
@@ -69,6 +69,15 @@ public:
*/
inline std::string expr(){return "cbrt(" + _feats[0]->expr() + ")";}
+ // DocString: cbrt_node_latex_expr
+ /**
+ * @brief Get the expression for the overall feature (From root node down)
+ */
+ inline std::string get_latex_expr(std::string cap)
+ {
+ return cap + "\\left(\\sqrt[3]{" + _feats[0]->get_latex_expr("") + "}\\right)" + cap;
+ }
+
// DocString: cbrt_node_set_value
/**
* @brief Set the values of the training data for the feature inside of the value storage arrays
@@ -125,4 +134,4 @@ public:
};
void generateCbrtNode(std::vector<node_ptr>& feat_list, node_ptr feat, int& feat_ind, double l_bound, double u_bound);
-#endif
\ No newline at end of file
+#endif
diff --git a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/cos.cpp b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/cos/cos.cpp
similarity index 99%
rename from src/feature_creation/node/operator_nodes/allowed_operator_nodes/cos.cpp
rename to src/feature_creation/node/operator_nodes/allowed_operator_nodes/cos/cos.cpp
index 8a1545a2..0509db8d 100644
--- a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/cos.cpp
+++ b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/cos/cos.cpp
@@ -1,4 +1,4 @@
-#include <feature_creation/node/operator_nodes/allowed_operator_nodes/cos.hpp>
+#include <feature_creation/node/operator_nodes/allowed_operator_nodes/cos/cos.hpp>
void generateCosNode(std::vector<node_ptr>& feat_list, node_ptr feat, int& feat_ind, double l_bound, double u_bound)
{
@@ -72,4 +72,4 @@ void CosNode::set_test_value(int offset)
{
offset = (offset == -1) ? rung() : offset;
allowed_op_funcs::cos(_n_test_samp, _feats[0]->test_value_ptr(offset + 2), node_value_arrs::get_test_value_ptr(_arr_ind, _feat_ind, offset));
-}
\ No newline at end of file
+}
diff --git a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/cos.hpp b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/cos/cos.hpp
similarity index 93%
rename from src/feature_creation/node/operator_nodes/allowed_operator_nodes/cos.hpp
rename to src/feature_creation/node/operator_nodes/allowed_operator_nodes/cos/cos.hpp
index cc4bac8b..ec052256 100644
--- a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/cos.hpp
+++ b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/cos/cos.hpp
@@ -69,6 +69,15 @@ public:
*/
inline std::string expr(){return "cos(" + _feats[0]->expr() + ")";}
+ // DocString: cos_node_latex_expr
+ /**
+ * @brief Get the expression for the overall feature (From root node down)
+ */
+ inline std::string get_latex_expr(std::string cap)
+ {
+ return cap + "\\left(\\cos{" + _feats[0]->get_latex_expr("") + "}\\right)" + cap;
+ }
+
// DocString: cos_node_set_value
/**
* @brief Set the values of the training data for the feature inside of the value storage arrays
@@ -125,4 +134,4 @@ public:
};
void generateCosNode(std::vector<node_ptr>& feat_list, node_ptr feat, int& feat_ind, double l_bound, double u_bound);
-#endif
\ No newline at end of file
+#endif
diff --git a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/divide.cpp b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/div/divide.cpp
similarity index 99%
rename from src/feature_creation/node/operator_nodes/allowed_operator_nodes/divide.cpp
rename to src/feature_creation/node/operator_nodes/allowed_operator_nodes/div/divide.cpp
index 7229a121..f5497e15 100644
--- a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/divide.cpp
+++ b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/div/divide.cpp
@@ -1,4 +1,4 @@
-#include <feature_creation/node/operator_nodes/allowed_operator_nodes/divide.hpp>
+#include <feature_creation/node/operator_nodes/allowed_operator_nodes/div/divide.hpp>
void generateDivNode(std::vector<node_ptr>& feat_list, node_ptr feat_1, node_ptr feat_2, int& feat_ind, double l_bound, double u_bound)
{
@@ -93,4 +93,4 @@ void DivNode::set_test_value(int offset)
{
offset = (offset == -1) ? rung() : offset;
allowed_op_funcs::div(_n_test_samp, _feats[0]->test_value_ptr(offset + 2), _feats[1]->test_value_ptr(offset + 1), node_value_arrs::get_test_value_ptr(_arr_ind, _feat_ind, offset));
-}
\ No newline at end of file
+}
diff --git a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/divide.hpp b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/div/divide.hpp
similarity index 93%
rename from src/feature_creation/node/operator_nodes/allowed_operator_nodes/divide.hpp
rename to src/feature_creation/node/operator_nodes/allowed_operator_nodes/div/divide.hpp
index 3194f084..f667f2ff 100644
--- a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/divide.hpp
+++ b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/div/divide.hpp
@@ -71,6 +71,15 @@ public:
*/
inline std::string expr(){return "[(" + _feats[0]->expr() + ") / (" + _feats[1]->expr() + ")]";}
+ // DocString: div_node_latex_expr
+ /**
+ * @brief Get the expression for the overall feature (From root node down)
+ */
+ inline std::string get_latex_expr(std::string cap)
+ {
+ return cap + "\\left(\\frac{" + _feats[0]->get_latex_expr("") + "}{" + _feats[1]->get_latex_expr("") + "}\\right)" + cap;
+ }
+
// DocString: div_node_set_value
/**
* @brief Set the values of the training data for the feature inside of the value storage arrays
@@ -127,4 +136,4 @@ public:
};
void generateDivNode(std::vector<node_ptr>& feat_list, node_ptr feat_1, node_ptr feat_2, int& feat_ind, double l_bound, double u_bound);
-#endif
\ No newline at end of file
+#endif
diff --git a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/exponential.cpp b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/exp/exponential.cpp
similarity index 99%
rename from src/feature_creation/node/operator_nodes/allowed_operator_nodes/exponential.cpp
rename to src/feature_creation/node/operator_nodes/allowed_operator_nodes/exp/exponential.cpp
index 6b5f5bf9..5900c35d 100644
--- a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/exponential.cpp
+++ b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/exp/exponential.cpp
@@ -1,4 +1,4 @@
-#include <feature_creation/node/operator_nodes/allowed_operator_nodes/exponential.hpp>
+#include <feature_creation/node/operator_nodes/allowed_operator_nodes/exp/exponential.hpp>
void generateExpNode(std::vector<node_ptr>& feat_list, node_ptr feat, int& feat_ind, double l_bound, double u_bound)
{
@@ -72,4 +72,4 @@ void ExpNode::set_test_value(int offset)
{
offset = (offset == -1) ? rung() : offset;
allowed_op_funcs::exp(_n_test_samp, _feats[0]->test_value_ptr(offset + 2), node_value_arrs::get_test_value_ptr(_arr_ind, _feat_ind, offset));
-}
\ No newline at end of file
+}
diff --git a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/exponential.hpp b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/exp/exponential.hpp
similarity index 93%
rename from src/feature_creation/node/operator_nodes/allowed_operator_nodes/exponential.hpp
rename to src/feature_creation/node/operator_nodes/allowed_operator_nodes/exp/exponential.hpp
index 400842c4..fd828cca 100644
--- a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/exponential.hpp
+++ b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/exp/exponential.hpp
@@ -69,6 +69,15 @@ public:
*/
inline std::string expr(){return "exp(" + _feats[0]->expr() + ")";}
+ // DocString: exp_node_latex_expr
+ /**
+ * @brief Get the expression for the overall feature (From root node down)
+ */
+ inline std::string get_latex_expr(std::string cap)
+ {
+ return cap + "\\left(\\exp{" + _feats[0]->get_latex_expr("") + "}\\right)" + cap;
+ }
+
// DocString: exp_node_set_value
/**
* @brief Set the values of the training data for the feature inside of the value storage arrays
@@ -125,4 +134,4 @@ public:
};
void generateExpNode(std::vector<node_ptr>& feat_list, node_ptr feat, int& feat_ind, double l_bound, double u_bound);
-#endif
\ No newline at end of file
+#endif
diff --git a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/inverse.cpp b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/inv/inverse.cpp
similarity index 99%
rename from src/feature_creation/node/operator_nodes/allowed_operator_nodes/inverse.cpp
rename to src/feature_creation/node/operator_nodes/allowed_operator_nodes/inv/inverse.cpp
index 34b9eecc..b521f183 100644
--- a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/inverse.cpp
+++ b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/inv/inverse.cpp
@@ -1,4 +1,4 @@
-#include <feature_creation/node/operator_nodes/allowed_operator_nodes/inverse.hpp>
+#include <feature_creation/node/operator_nodes/allowed_operator_nodes/inv/inverse.hpp>
void generateInvNode(std::vector<node_ptr>& feat_list, node_ptr feat, int& feat_ind, double l_bound, double u_bound)
{
@@ -64,4 +64,4 @@ void InvNode::set_test_value(int offset)
{
offset = (offset == -1) ? rung() : offset;
allowed_op_funcs::inv(_n_test_samp, _feats[0]->test_value_ptr(offset + 2), node_value_arrs::get_test_value_ptr(_arr_ind, _feat_ind, offset));
-}
\ No newline at end of file
+}
diff --git a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/inverse.hpp b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/inv/inverse.hpp
similarity index 92%
rename from src/feature_creation/node/operator_nodes/allowed_operator_nodes/inverse.hpp
rename to src/feature_creation/node/operator_nodes/allowed_operator_nodes/inv/inverse.hpp
index 5fe90eab..fdfde7d3 100644
--- a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/inverse.hpp
+++ b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/inv/inverse.hpp
@@ -57,6 +57,15 @@ public:
*/
inline std::string expr(){return "1.0 / (" + _feats[0]->expr() + ")";}
+ // DocString: inv_node_latex_expr
+ /**
+ * @brief Get the expression for the overall feature (From root node down)
+ */
+ inline std::string get_latex_expr(std::string cap)
+ {
+ return cap + "\\left(\\frac{1}{" +_feats[0]->get_latex_expr("") + "}\\right)" + cap;
+ }
+
// DocString: inv_node_set_value
/**
* @brief Set the values of the training data for the feature inside of the value storage arrays
@@ -113,4 +122,4 @@ public:
};
void generateInvNode(std::vector<node_ptr>& feat_list, node_ptr feat, int& feat_ind, double l_bound, double u_bound);
-#endif
\ No newline at end of file
+#endif
diff --git a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/log.cpp b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/log/log.cpp
similarity index 99%
rename from src/feature_creation/node/operator_nodes/allowed_operator_nodes/log.cpp
rename to src/feature_creation/node/operator_nodes/allowed_operator_nodes/log/log.cpp
index addda7d8..c37f855a 100644
--- a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/log.cpp
+++ b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/log/log.cpp
@@ -1,4 +1,4 @@
-#include <feature_creation/node/operator_nodes/allowed_operator_nodes/log.hpp>
+#include <feature_creation/node/operator_nodes/allowed_operator_nodes/log/log.hpp>
void generateLogNode(std::vector<node_ptr>& feat_list, node_ptr feat, int& feat_ind, double l_bound, double u_bound)
{
@@ -72,4 +72,4 @@ void LogNode::set_test_value(int offset)
{
offset = (offset == -1) ? rung() : offset;
allowed_op_funcs::log(_n_test_samp, _feats[0]->test_value_ptr(offset + 2), node_value_arrs::get_test_value_ptr(_arr_ind, _feat_ind, offset));
-}
\ No newline at end of file
+}
diff --git a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/log.hpp b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/log/log.hpp
similarity index 93%
rename from src/feature_creation/node/operator_nodes/allowed_operator_nodes/log.hpp
rename to src/feature_creation/node/operator_nodes/allowed_operator_nodes/log/log.hpp
index 086f9328..d8193767 100644
--- a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/log.hpp
+++ b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/log/log.hpp
@@ -69,6 +69,15 @@ public:
*/
inline std::string expr(){return "log(" + _feats[0]->expr() + ")";}
+ // DocString: log_node_latex_expr
+ /**
+ * @brief Get the expression for the overall feature (From root node down)
+ */
+ inline std::string get_latex_expr(std::string cap)
+ {
+ return cap + "\\left(\\log{" + _feats[0]->get_latex_expr("") + "}\\right)" + cap;
+ }
+
// DocString: log_node_set_value
/**
* @brief Set the values of the training data for the feature inside of the value storage arrays
@@ -125,4 +134,4 @@ public:
};
void generateLogNode(std::vector<node_ptr>& feat_list, node_ptr feat, int& feat_ind, double l_bound, double u_bound);
-#endif
\ No newline at end of file
+#endif
diff --git a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/multiply.cpp b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/mult/multiply.cpp
similarity index 99%
rename from src/feature_creation/node/operator_nodes/allowed_operator_nodes/multiply.cpp
rename to src/feature_creation/node/operator_nodes/allowed_operator_nodes/mult/multiply.cpp
index 90ca597a..b3c281e0 100644
--- a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/multiply.cpp
+++ b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/mult/multiply.cpp
@@ -1,4 +1,4 @@
-#include <feature_creation/node/operator_nodes/allowed_operator_nodes/multiply.hpp>
+#include <feature_creation/node/operator_nodes/allowed_operator_nodes/mult/multiply.hpp>
void generateMultNode(std::vector<node_ptr>& feat_list, node_ptr feat_1, node_ptr feat_2, int& feat_ind, double l_bound, double u_bound)
{
@@ -93,4 +93,4 @@ void MultNode::set_test_value(int offset)
{
offset = (offset == -1) ? rung() : offset;
allowed_op_funcs::mult(_n_test_samp, _feats[0]->test_value_ptr(offset + 2), _feats[1]->test_value_ptr(offset + 1), node_value_arrs::get_test_value_ptr(_arr_ind, _feat_ind, offset));
-}
\ No newline at end of file
+}
diff --git a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/multiply.hpp b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/mult/multiply.hpp
similarity index 92%
rename from src/feature_creation/node/operator_nodes/allowed_operator_nodes/multiply.hpp
rename to src/feature_creation/node/operator_nodes/allowed_operator_nodes/mult/multiply.hpp
index 4a56d570..89a84074 100644
--- a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/multiply.hpp
+++ b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/mult/multiply.hpp
@@ -72,6 +72,15 @@ public:
*/
inline std::string expr(){return "[(" + _feats[0]->expr() + ") * (" + _feats[1]->expr() + ")]";}
+ // DocString: mult_node_latex_expr
+ /**
+ * @brief Get the expression for the overall feature (From root node down)
+ */
+ inline std::string get_latex_expr(std::string cap)
+ {
+ return cap + "\\left(\\left(" + _feats[0]->get_latex_expr("") + "\\right) \\left(" + _feats[1]->get_latex_expr("") + "\\right)\\right)" + cap;
+ }
+
// DocString: mult_node_set_value
/**
* @brief Set the values of the training data for the feature inside of the value storage arrays
@@ -128,4 +137,4 @@ public:
};
void generateMultNode(std::vector<node_ptr>& feat_list, node_ptr feat_1, node_ptr feat_2, int& feat_ind, double l_bound, double u_bound);
-#endif
\ No newline at end of file
+#endif
diff --git a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/negative_exponential.cpp b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/neg_exp/negative_exponential.cpp
similarity index 98%
rename from src/feature_creation/node/operator_nodes/allowed_operator_nodes/negative_exponential.cpp
rename to src/feature_creation/node/operator_nodes/allowed_operator_nodes/neg_exp/negative_exponential.cpp
index 5f44491f..6dc0876c 100644
--- a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/negative_exponential.cpp
+++ b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/neg_exp/negative_exponential.cpp
@@ -1,4 +1,4 @@
-#include <feature_creation/node/operator_nodes/allowed_operator_nodes/negative_exponential.hpp>
+#include <feature_creation/node/operator_nodes/allowed_operator_nodes/neg_exp/negative_exponential.hpp>
void generateNegExpNode(std::vector<node_ptr>& feat_list, node_ptr feat, int& feat_ind, double l_bound, double u_bound)
{
@@ -72,4 +72,4 @@ void NegExpNode::set_test_value(int offset)
{
offset = (offset == -1) ? rung() : offset;
allowed_op_funcs::neg_exp(_n_test_samp, _feats[0]->test_value_ptr(offset + 2), node_value_arrs::get_test_value_ptr(_arr_ind, _feat_ind, offset));
-}
\ No newline at end of file
+}
diff --git a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/negative_exponential.hpp b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/neg_exp/negative_exponential.hpp
similarity index 93%
rename from src/feature_creation/node/operator_nodes/allowed_operator_nodes/negative_exponential.hpp
rename to src/feature_creation/node/operator_nodes/allowed_operator_nodes/neg_exp/negative_exponential.hpp
index f6d8cd8d..478523f2 100644
--- a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/negative_exponential.hpp
+++ b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/neg_exp/negative_exponential.hpp
@@ -70,6 +70,15 @@ public:
*/
inline std::string expr(){return "exp[-1.0*(" + _feats[0]->expr() + ")]";}
+ // DocString: neg_exp_node_latex_expr
+ /**
+ * @brief Get the expression for the overall feature (From root node down)
+ */
+ inline std::string get_latex_expr(std::string cap)
+ {
+ return cap + "\\left(\\exp{\\left(-" + _feats[0]->get_latex_expr("") + "\\right)}\\right)" + cap;
+ }
+
// DocString: neg_exp_node_set_value
/**
* @brief Set the values of the training data for the feature inside of the value storage arrays
@@ -126,4 +135,4 @@ public:
};
void generateNegExpNode(std::vector<node_ptr>& feat_list, node_ptr feat, int& feat_ind, double l_bound, double u_bound);
-#endif
\ No newline at end of file
+#endif
diff --git a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/sin.cpp b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/sin/sin.cpp
similarity index 99%
rename from src/feature_creation/node/operator_nodes/allowed_operator_nodes/sin.cpp
rename to src/feature_creation/node/operator_nodes/allowed_operator_nodes/sin/sin.cpp
index 4d18efb3..403dd2ef 100644
--- a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/sin.cpp
+++ b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/sin/sin.cpp
@@ -1,4 +1,4 @@
-#include <feature_creation/node/operator_nodes/allowed_operator_nodes/sin.hpp>
+#include <feature_creation/node/operator_nodes/allowed_operator_nodes/sin/sin.hpp>
void generateSinNode(std::vector<node_ptr>& feat_list, node_ptr feat, int& feat_ind, double l_bound, double u_bound)
{
@@ -73,4 +73,4 @@ void SinNode::set_test_value(int offset)
{
offset = (offset == -1) ? rung() : offset;
allowed_op_funcs::sin(_n_test_samp, _feats[0]->test_value_ptr(offset + 2), node_value_arrs::get_test_value_ptr(_arr_ind, _feat_ind, offset));
-}
\ No newline at end of file
+}
diff --git a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/sin.hpp b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/sin/sin.hpp
similarity index 93%
rename from src/feature_creation/node/operator_nodes/allowed_operator_nodes/sin.hpp
rename to src/feature_creation/node/operator_nodes/allowed_operator_nodes/sin/sin.hpp
index cb0309a1..8edac3af 100644
--- a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/sin.hpp
+++ b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/sin/sin.hpp
@@ -70,6 +70,15 @@ public:
*/
inline std::string expr(){return "sin(" + _feats[0]->expr() + ")";}
+ // DocString: sin_node_latex_expr
+ /**
+ * @brief Get the expression for the overall feature (From root node down)
+ */
+ inline std::string get_latex_expr(std::string cap)
+ {
+ return cap + "\\left(\\sin{" + _feats[0]->get_latex_expr("") + "}\\right)" + cap;
+ }
+
// DocString: sin_node_set_value
/**
* @brief Set the values of the training data for the feature inside of the value storage arrays
@@ -126,4 +135,4 @@ public:
};
void generateSinNode(std::vector<node_ptr>& feat_list, node_ptr feat, int& feat_ind, double l_bound, double u_bound);
-#endif
\ No newline at end of file
+#endif
diff --git a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/sixth_power.cpp b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/sp/sixth_power.cpp
similarity index 99%
rename from src/feature_creation/node/operator_nodes/allowed_operator_nodes/sixth_power.cpp
rename to src/feature_creation/node/operator_nodes/allowed_operator_nodes/sp/sixth_power.cpp
index c5478980..36cd7b48 100644
--- a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/sixth_power.cpp
+++ b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/sp/sixth_power.cpp
@@ -1,4 +1,4 @@
-#include <feature_creation/node/operator_nodes/allowed_operator_nodes/sixth_power.hpp>
+#include <feature_creation/node/operator_nodes/allowed_operator_nodes/sp/sixth_power.hpp>
void generateSixPowNode(std::vector<node_ptr>& feat_list, node_ptr feat, int& feat_ind, double l_bound, double u_bound)
{
@@ -63,4 +63,4 @@ void SixPowNode::set_test_value(int offset)
{
offset = (offset == -1) ? rung() : offset;
allowed_op_funcs::sixth_pow(_n_test_samp, _feats[0]->test_value_ptr(offset + 2), node_value_arrs::get_test_value_ptr(_arr_ind, _feat_ind, offset));
-}
\ No newline at end of file
+}
diff --git a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/sixth_power.hpp b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/sp/sixth_power.hpp
similarity index 93%
rename from src/feature_creation/node/operator_nodes/allowed_operator_nodes/sixth_power.hpp
rename to src/feature_creation/node/operator_nodes/allowed_operator_nodes/sp/sixth_power.hpp
index 43862b36..868ce0ed 100644
--- a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/sixth_power.hpp
+++ b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/sp/sixth_power.hpp
@@ -70,6 +70,15 @@ public:
*/
inline std::string expr(){return "(" + _feats[0]->expr() + ")^6";}
+ // DocString: six_pow_node_latex_expr
+ /**
+ * @brief Get the expression for the overall feature (From root node down)
+ */
+ inline std::string get_latex_expr(std::string cap)
+ {
+ return cap + "\\left(" + _feats[0]->get_latex_expr("") + "^6\\right)" + cap;
+ }
+
// DocString: six_pow_node_set_value
/**
* @brief Set the values of the training data for the feature inside of the value storage arrays
@@ -127,4 +136,4 @@ public:
};
void generateSixPowNode(std::vector<node_ptr>& feat_list, node_ptr feat, int& feat_ind, double l_bound, double u_bound);
-#endif
\ No newline at end of file
+#endif
diff --git a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/square.cpp b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/sq/square.cpp
similarity index 99%
rename from src/feature_creation/node/operator_nodes/allowed_operator_nodes/square.cpp
rename to src/feature_creation/node/operator_nodes/allowed_operator_nodes/sq/square.cpp
index de7ffd8d..d928fd1d 100644
--- a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/square.cpp
+++ b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/sq/square.cpp
@@ -1,4 +1,4 @@
-#include <feature_creation/node/operator_nodes/allowed_operator_nodes/square.hpp>
+#include <feature_creation/node/operator_nodes/allowed_operator_nodes/sq/square.hpp>
void generateSqNode(std::vector<node_ptr>& feat_list, node_ptr feat, int& feat_ind, double l_bound, double u_bound)
{
@@ -64,4 +64,4 @@ void SqNode::set_test_value(int offset)
{
offset = (offset == -1) ? rung() : offset;
allowed_op_funcs::sq(_n_test_samp, _feats[0]->test_value_ptr(offset + 2), node_value_arrs::get_test_value_ptr(_arr_ind, _feat_ind, offset));
-}
\ No newline at end of file
+}
diff --git a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/square.hpp b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/sq/square.hpp
similarity index 93%
rename from src/feature_creation/node/operator_nodes/allowed_operator_nodes/square.hpp
rename to src/feature_creation/node/operator_nodes/allowed_operator_nodes/sq/square.hpp
index 96085b05..19d1a5fe 100644
--- a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/square.hpp
+++ b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/sq/square.hpp
@@ -69,6 +69,15 @@ public:
*/
inline std::string expr(){return "(" + _feats[0]->expr() + ")^2";}
+ // DocString: sq_node_latex_expr
+ /**
+ * @brief Get the expression for the overall feature (From root node down)
+ */
+ inline std::string get_latex_expr(std::string cap)
+ {
+ return cap + "\\left(" + _feats[0]->get_latex_expr("") + "^2\\right)" + cap;
+ }
+
// DocString: sq_node_set_value
/**
* @brief Set the values of the training data for the feature inside of the value storage arrays
@@ -125,4 +134,4 @@ public:
};
void generateSqNode(std::vector<node_ptr>& feat_list, node_ptr feat, int& feat_ind, double l_bound, double u_bound);
-#endif
\ No newline at end of file
+#endif
diff --git a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/square_root.cpp b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/sqrt/square_root.cpp
similarity index 98%
rename from src/feature_creation/node/operator_nodes/allowed_operator_nodes/square_root.cpp
rename to src/feature_creation/node/operator_nodes/allowed_operator_nodes/sqrt/square_root.cpp
index 1bd35e74..d4e4a561 100644
--- a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/square_root.cpp
+++ b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/sqrt/square_root.cpp
@@ -1,4 +1,4 @@
-#include <feature_creation/node/operator_nodes/allowed_operator_nodes/square_root.hpp>
+#include <feature_creation/node/operator_nodes/allowed_operator_nodes/sqrt/square_root.hpp>
void generateSqrtNode(std::vector<node_ptr>& feat_list, node_ptr feat, int& feat_ind, double l_bound, double u_bound)
{
@@ -64,4 +64,4 @@ void SqrtNode::set_test_value(int offset)
{
offset = (offset == -1) ? rung() : offset;
allowed_op_funcs::sqrt(_n_test_samp, _feats[0]->test_value_ptr(offset + 2), node_value_arrs::get_test_value_ptr(_arr_ind, _feat_ind, offset));
-}
\ No newline at end of file
+}
diff --git a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/square_root.hpp b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/sqrt/square_root.hpp
similarity index 93%
rename from src/feature_creation/node/operator_nodes/allowed_operator_nodes/square_root.hpp
rename to src/feature_creation/node/operator_nodes/allowed_operator_nodes/sqrt/square_root.hpp
index 34a951b1..cee1ca90 100644
--- a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/square_root.hpp
+++ b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/sqrt/square_root.hpp
@@ -70,6 +70,15 @@ public:
*/
inline std::string expr(){return "sqrt(" + _feats[0]->expr() + ")";}
+ // DocString: sqrt_node_latex_expr
+ /**
+ * @brief Get the expression for the overall feature (From root node down)
+ */
+ inline std::string get_latex_expr(std::string cap)
+ {
+ return cap + "\\left(\\sqrt{" + _feats[0]->get_latex_expr("") + "}\\right)" + cap;
+ }
+
// DocString: sqrt_node_set_value
/**
* @brief Set the values of the training data for the feature inside of the value storage arrays
@@ -126,4 +135,4 @@ public:
};
void generateSqrtNode(std::vector<node_ptr>& feat_list, node_ptr feat, int& feat_ind, double l_bound, double u_bound);
-#endif
\ No newline at end of file
+#endif
diff --git a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/subtract.cpp b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/sub/subtract.cpp
similarity index 99%
rename from src/feature_creation/node/operator_nodes/allowed_operator_nodes/subtract.cpp
rename to src/feature_creation/node/operator_nodes/allowed_operator_nodes/sub/subtract.cpp
index b1ab57c9..e0a18275 100644
--- a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/subtract.cpp
+++ b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/sub/subtract.cpp
@@ -1,4 +1,4 @@
-#include <feature_creation/node/operator_nodes/allowed_operator_nodes/subtract.hpp>
+#include <feature_creation/node/operator_nodes/allowed_operator_nodes/sub/subtract.hpp>
void generateSubNode(std::vector<node_ptr>& feat_list, node_ptr feat_1, node_ptr feat_2, int& feat_ind, double l_bound, double u_bound)
{
++feat_ind;
@@ -91,4 +91,4 @@ void SubNode::set_test_value(int offset)
{
offset = (offset == -1) ? rung() : offset;
allowed_op_funcs::sub(_n_test_samp, _feats[0]->test_value_ptr(offset + 2), _feats[1]->test_value_ptr(offset + 1), node_value_arrs::get_test_value_ptr(_arr_ind, _feat_ind, offset));
-}
\ No newline at end of file
+}
diff --git a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/subtract.hpp b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/sub/subtract.hpp
similarity index 93%
rename from src/feature_creation/node/operator_nodes/allowed_operator_nodes/subtract.hpp
rename to src/feature_creation/node/operator_nodes/allowed_operator_nodes/sub/subtract.hpp
index f2439558..525892b2 100644
--- a/src/feature_creation/node/operator_nodes/allowed_operator_nodes/subtract.hpp
+++ b/src/feature_creation/node/operator_nodes/allowed_operator_nodes/sub/subtract.hpp
@@ -72,6 +72,15 @@ public:
*/
inline std::string expr(){return "[(" + _feats[0]->expr() + ") - (" + _feats[1]->expr() + ")]";}
+ // DocString: sub_node_latex_expr
+ /**
+ * @brief Get the expression for the overall feature (From root node down)
+ */
+ inline std::string get_latex_expr(std::string cap)
+ {
+ return cap + "\\left(" + _feats[0]->get_latex_expr("") + " - " + _feats[1]->get_latex_expr("") + "\\right)" + cap;
+ }
+
// DocString: sub_node_set_value
/**
* @brief Set the values of the training data for the feature inside of the value storage arrays
@@ -128,4 +137,4 @@ public:
};
void generateSubNode(std::vector<node_ptr>& feat_list, node_ptr feat_1, node_ptr feat_2, int& feat_ind, double l_bound, double u_bound);
-#endif
\ No newline at end of file
+#endif
diff --git a/src/feature_creation/node/operator_nodes/allowed_ops.hpp b/src/feature_creation/node/operator_nodes/allowed_ops.hpp
index 6df047fc..a522b4d0 100644
--- a/src/feature_creation/node/operator_nodes/allowed_ops.hpp
+++ b/src/feature_creation/node/operator_nodes/allowed_ops.hpp
@@ -8,23 +8,24 @@
#define ALLOWED_OP_NODES
#include <feature_creation/node/Node.hpp>
-#include <feature_creation/node/operator_nodes/allowed_operator_nodes/add.hpp>
-#include <feature_creation/node/operator_nodes/allowed_operator_nodes/subtract.hpp>
-#include <feature_creation/node/operator_nodes/allowed_operator_nodes/absolute_value.hpp>
-#include <feature_creation/node/operator_nodes/allowed_operator_nodes/absolute_difference.hpp>
-#include <feature_creation/node/operator_nodes/allowed_operator_nodes/multiply.hpp>
-#include <feature_creation/node/operator_nodes/allowed_operator_nodes/divide.hpp>
-#include <feature_creation/node/operator_nodes/allowed_operator_nodes/inverse.hpp>
-#include <feature_creation/node/operator_nodes/allowed_operator_nodes/exponential.hpp>
-#include <feature_creation/node/operator_nodes/allowed_operator_nodes/negative_exponential.hpp>
-#include <feature_creation/node/operator_nodes/allowed_operator_nodes/log.hpp>
-#include <feature_creation/node/operator_nodes/allowed_operator_nodes/square.hpp>
-#include <feature_creation/node/operator_nodes/allowed_operator_nodes/cube.hpp>
-#include <feature_creation/node/operator_nodes/allowed_operator_nodes/sixth_power.hpp>
-#include <feature_creation/node/operator_nodes/allowed_operator_nodes/square_root.hpp>
-#include <feature_creation/node/operator_nodes/allowed_operator_nodes/cube_root.hpp>
-#include <feature_creation/node/operator_nodes/allowed_operator_nodes/sin.hpp>
-#include <feature_creation/node/operator_nodes/allowed_operator_nodes/cos.hpp>
+#include <feature_creation/node/operator_nodes/allowed_operator_nodes/add/add.hpp>
+#include <feature_creation/node/operator_nodes/allowed_operator_nodes/sub/subtract.hpp>
+#include <feature_creation/node/operator_nodes/allowed_operator_nodes/abs_diff/absolute_difference.hpp>
+#include <feature_creation/node/operator_nodes/allowed_operator_nodes/mult/multiply.hpp>
+#include <feature_creation/node/operator_nodes/allowed_operator_nodes/div/divide.hpp>
+#include <feature_creation/node/operator_nodes/allowed_operator_nodes/abs/absolute_value.hpp>
+#include <feature_creation/node/operator_nodes/allowed_operator_nodes/inv/inverse.hpp>
+#include <feature_creation/node/operator_nodes/allowed_operator_nodes/exp/exponential.hpp>
+#include <feature_creation/node/operator_nodes/allowed_operator_nodes/neg_exp/negative_exponential.hpp>
+#include <feature_creation/node/operator_nodes/allowed_operator_nodes/log/log.hpp>
+#include <feature_creation/node/operator_nodes/allowed_operator_nodes/sp/sixth_power.hpp>
+#include <feature_creation/node/operator_nodes/allowed_operator_nodes/cb/cube.hpp>
+#include <feature_creation/node/operator_nodes/allowed_operator_nodes/sq/square.hpp>
+#include <feature_creation/node/operator_nodes/allowed_operator_nodes/sqrt/square_root.hpp>
+#include <feature_creation/node/operator_nodes/allowed_operator_nodes/cbrt/cube_root.hpp>
+#include <feature_creation/node/operator_nodes/allowed_operator_nodes/sin/sin.hpp>
+#include <feature_creation/node/operator_nodes/allowed_operator_nodes/cos/cos.hpp>
+
#include <map>
#include <iostream>
@@ -40,4 +41,4 @@ namespace allowed_op_maps
};
-#endif
\ No newline at end of file
+#endif
diff --git a/src/feature_creation/node/utils.cpp b/src/feature_creation/node/utils.cpp
index e09c9f8a..3ebab644 100644
--- a/src/feature_creation/node/utils.cpp
+++ b/src/feature_creation/node/utils.cpp
@@ -105,7 +105,7 @@ std::vector<node_ptr> str2node::phi_selected_from_file(std::string filename, std
new_feat->set_selected(true);
new_feat->set_d_mat_ind(feat_sel);
new_feat->set_value();
- phi_selected.push_back(std::make_shared<ModelNode>(feat_ind, new_feat->rung(), new_feat->expr(), new_feat->postfix_expr(), new_feat->value(), new_feat->test_value(), new_feat->unit()));
+ phi_selected.push_back(std::make_shared<ModelNode>(feat_ind, new_feat->rung(), new_feat->expr(), new_feat->latex_expr(), new_feat->postfix_expr(), new_feat->value(), new_feat->test_value(), new_feat->unit()));
++feat_ind;
++feat_sel;
}
diff --git a/src/feature_creation/units/Unit.cpp b/src/feature_creation/units/Unit.cpp
index 1d71304a..f96e5bd7 100644
--- a/src/feature_creation/units/Unit.cpp
+++ b/src/feature_creation/units/Unit.cpp
@@ -82,6 +82,33 @@ std::string Unit::toString() const
return unit_rep.str().substr(3);
}
+std::string Unit::toLatexString() const
+{
+ std::stringstream unit_rep;
+ std::vector<std::string> keys;
+ keys.reserve(_dct.size());
+
+ for(auto& el : _dct)
+ keys.push_back(el.first);
+
+ std::sort(keys.begin(), keys.end());
+
+ for(auto& key : keys)
+ {
+ if(_dct.at(key) == 1)
+ unit_rep << key;
+ else if(_dct.at(key) > 0)
+ unit_rep << key << "$^\\text{" << _dct.at(key) << "}$";
+ else if(_dct.at(key) < 0)
+ unit_rep << key << "$^\\text{-" << std::abs(_dct.at(key)) << "}$";
+ }
+
+ if(unit_rep.str().size() == 0)
+ return "Unitless";
+
+ return unit_rep.str();
+}
+
Unit Unit::operator*(Unit unit_2)
{
std::map<std::string, double> to_out = dct();
diff --git a/src/feature_creation/units/Unit.hpp b/src/feature_creation/units/Unit.hpp
index 39ad519f..9dcf29d3 100644
--- a/src/feature_creation/units/Unit.hpp
+++ b/src/feature_creation/units/Unit.hpp
@@ -81,6 +81,12 @@ public:
*/
std::string toString() const;
+ // DocString: unit_latex_str
+ /**
+ * @brief Convert the unit into a latexified string
+ */
+ std::string toLatexString() const;
+
// DocString: unit_mult
/**
* @brief Multiply operator for units
@@ -175,4 +181,4 @@ public:
*/
std::ostream& operator<< (std::ostream& outStream, const Unit& unit);
-#endif
\ No newline at end of file
+#endif
diff --git a/src/inputs/InputParser.cpp b/src/inputs/InputParser.cpp
index f04da374..affd8d48 100644
--- a/src/inputs/InputParser.cpp
+++ b/src/inputs/InputParser.cpp
@@ -246,6 +246,7 @@ void InputParser::generate_feature_space(std::shared_ptr<MPI_Interface> comm, st
else
{
_prop_unit = Unit(units[propind]);
+ _prop_label = headers[propind];
_prop_train = std::vector<double>(data[propind].size(), 0.0);
_prop_test = std::vector<double>(test_data[propind].size(), 0.0);
@@ -288,13 +289,16 @@ void stripComments(std::string& filename)
//search for '//', delete everything following, print remainder to new file
std::string line;
- int found, found2;
+ int found, found2, find_py_comment;
while (std::getline(inputfile,line))
{
found = line.find('/');
found2 = line.find('/', found+1);
+ find_py_comment = line.find('#');
if (found != line.npos && found2 == found+1)
inputcopy << line.erase(found, line.length()) << std::endl;
+ else if(find_py_comment != std::string::npos)
+ inputcopy << line.erase(find_py_comment, line.length()) << std::endl;
else
inputcopy << line << std::endl;
}
diff --git a/src/inputs/InputParser.hpp b/src/inputs/InputParser.hpp
index fd1834d3..42cd08b4 100644
--- a/src/inputs/InputParser.hpp
+++ b/src/inputs/InputParser.hpp
@@ -47,6 +47,7 @@ public:
std::string _filename; //!< Name of the input file
std::string _data_file; //!< Name of the data file
std::string _prop_key; //!< Key used to find the property column in the data file
+ std::string _prop_label; //!< label used to describe the property
std::string _task_key; //!< Key used to find the task column in the data file
std::string _calc_type; //!< Type of projection operator to use
diff --git a/src/main.cpp b/src/main.cpp
index b2572680..86126af3 100644
--- a/src/main.cpp
+++ b/src/main.cpp
@@ -34,21 +34,21 @@ int main(int argc, char const *argv[])
mpi_setup::comm->barrier();
duration = omp_get_wtime() - start;
if(mpi_setup::comm->rank() == 0)
- std::cout<< "time input_parsing/Feature space generation: " << duration << std::endl;
+ std::cout<< "time input_parsing/Feature space generation: " << duration << " s" << std::endl;
node_value_arrs::initialize_d_matrix_arr();
if(IP._calc_type.compare("regression") == 0)
{
- SISSORegressor sisso(IP._feat_space, IP._prop_unit, IP._prop_train, IP._prop_test, IP._task_sizes_train, IP._task_sizes_test, IP._leave_out_inds, IP._n_dim, IP._n_residuals, IP._n_models_store, IP._fix_intercept);
+ SISSORegressor sisso(IP._feat_space, IP._prop_label, IP._prop_unit, IP._prop_train, IP._prop_test, IP._task_sizes_train, IP._task_sizes_test, IP._leave_out_inds, IP._n_dim, IP._n_residuals, IP._n_models_store, IP._fix_intercept);
sisso.fit();
if(mpi_setup::comm->rank() == 0)
{
for(int ii = 0; ii < sisso.models().size(); ++ii)
{
- std::cout << "Train RMSE: " << sisso.models()[ii][0].rmse();
+ std::cout << "Train RMSE: " << sisso.models()[ii][0].rmse() << " " << IP._prop_unit;
if(IP._prop_test.size() > 0)
- std::cout << "; Test RMSE: " << sisso.models()[ii][0].test_rmse() << std::endl;
+ std::cout << "; Test RMSE: " << sisso.models()[ii][0].test_rmse() << " " << IP._prop_unit << std::endl;
else
std::cout << std::endl;
std::cout << sisso.models()[ii][0] << "\n" << std::endl;
@@ -57,7 +57,7 @@ int main(int argc, char const *argv[])
}
if(IP._calc_type.compare("log_regression") == 0)
{
- SISSOLogRegressor sisso(IP._feat_space, IP._prop_unit, IP._prop_train, IP._prop_test, IP._task_sizes_train, IP._task_sizes_test, IP._leave_out_inds, IP._n_dim, IP._n_residuals, IP._n_models_store, IP._fix_intercept);
+ SISSOLogRegressor sisso(IP._feat_space, IP._prop_label, IP._prop_unit, IP._prop_train, IP._prop_test, IP._task_sizes_train, IP._task_sizes_test, IP._leave_out_inds, IP._n_dim, IP._n_residuals, IP._n_models_store, IP._fix_intercept);
sisso.fit();
if(mpi_setup::comm->rank() == 0)
@@ -75,16 +75,16 @@ int main(int argc, char const *argv[])
}
else if(IP._calc_type.compare("classification") == 0)
{
- SISSOClassifier sisso(IP._feat_space, IP._prop_unit, IP._prop_train, IP._prop_test, IP._task_sizes_train, IP._task_sizes_test, IP._leave_out_inds, IP._n_dim, IP._n_residuals, IP._n_models_store);
+ SISSOClassifier sisso(IP._feat_space, IP._prop_label, IP._prop_unit, IP._prop_train, IP._prop_test, IP._task_sizes_train, IP._task_sizes_test, IP._leave_out_inds, IP._n_dim, IP._n_residuals, IP._n_models_store);
sisso.fit();
if(mpi_setup::comm->rank() == 0)
{
for(int ii = 0; ii < sisso.models().size(); ++ii)
{
- std::cout << "Train Error: " << sisso.models()[ii][0].percent_train_error();
+ std::cout << "Percent of training data misclassified: " << sisso.models()[ii][0].percent_train_error() << "%";
if(IP._prop_test.size() > 0)
- std::cout << "; Test Error: " << sisso.models()[ii][0].percent_test_error() << std::endl;
+ std::cout << "; Percent of test data misclassified: " << sisso.models()[ii][0].percent_test_error() << "%" << std::endl;
else
std::cout << std::endl;
std::cout << sisso.models()[ii][0] << "\n" << std::endl;
diff --git a/src/python/__init__.py b/src/python/__init__.py
index 06674b9a..46cee816 100644
--- a/src/python/__init__.py
+++ b/src/python/__init__.py
@@ -100,6 +100,7 @@ def generate_phi_0_from_csv(
# Get prop
prop_key = df_cols[prop_ind]
+ prop_label = prop_key.split("(")[0].rstrip()
prop_unit = get_unit(prop_key)
prop = df[prop_key].to_numpy()
df = df.drop([prop_key], axis=1)
@@ -183,6 +184,7 @@ def generate_phi_0_from_csv(
return (
phi_0,
+ prop_label,
Unit(prop_unit),
prop[train_inds].flatten(),
prop[leave_out_inds].flatten(),
@@ -279,6 +281,7 @@ def generate_fs_sr_from_csv(
"""
(
phi_0,
+ prop_label,
prop_unit,
prop,
prop_test,
@@ -301,6 +304,7 @@ def generate_fs_sr_from_csv(
if calc_type.lower() == "regression":
sr = SISSORegressor(
fs,
+ prop_label,
prop_unit,
prop,
prop_test,
@@ -314,6 +318,7 @@ def generate_fs_sr_from_csv(
else:
sr = SISSOClassifier(
fs,
+ prop_label,
prop_unit,
prop,
prop_test,
diff --git a/src/python/bindings_docstring_keyed.cpp b/src/python/bindings_docstring_keyed.cpp
index d11ff0b2..bbbc86c3 100644
--- a/src/python/bindings_docstring_keyed.cpp
+++ b/src/python/bindings_docstring_keyed.cpp
@@ -90,6 +90,7 @@ void sisso::feature_creation::registerUnit()
.def(self == self)
.def(self != self)
.def("__pow__", &Unit::operator^, "@DocString_unit_pow@")
+ .add_property("latex_str", &Unit::toLatexString, "@DocString_unit_latex_str@")
;
}
@@ -97,6 +98,7 @@ void sisso::feature_creation::node::registerNode()
{
void (Node::*reindex_1)(int) = &Node::reindex;
void (Node::*reindex_2)(int, int) = &Node::reindex;
+
class_<sisso::feature_creation::node::NodeWrap, boost::noncopyable>("Node", no_init)
.def("reindex", reindex_1, "@DocString_node_reindex_1@")
.def("reindex", reindex_2, "@DocString_node_reindex_2@")
@@ -112,6 +114,7 @@ void sisso::feature_creation::node::registerNode()
.add_property("test_value", &Node::test_value_py, "@DocString_node_test_value_py@")
.add_property("primary_feat_decomp", &Node::primary_feature_decomp_py, "@DocString_node_primary_feature_decomp@")
.add_property("postfix_expr", &Node::postfix_expr, "@DocString_node_postfix_expr@")
+ .add_property("latex_expr", &Node::latex_expr, "@DocString_node_latex_expr@")
.def("expr", pure_virtual(&Node::expr), "@DocString_node_expr@")
.def("unit", pure_virtual(&Node::unit), "@DocString_node_unit@")
.def("set_value", pure_virtual(&Node::set_value), "@DocString_node_set_value@")
@@ -149,7 +152,7 @@ void sisso::feature_creation::node::registerModelNode()
std::string (ModelNode::*expr_const)() const = &ModelNode::expr;
using namespace boost::python;
- class_<ModelNode, bases<FeatureNode>>("ModelNode", init<int, int, std::string, std::string, std::vector<double>, std::vector<double>, Unit>())
+ class_<ModelNode, bases<FeatureNode>>("ModelNode", init<int, int, std::string, std::string, std::string, std::vector<double>, std::vector<double>, Unit>())
.def("is_nan", &ModelNode::is_nan, "@DocString_model_node_is_nan@")
.def("is_const", &ModelNode::is_const, "@DocString_model_node_is_const@")
.def("set_value", &ModelNode::set_value, "@DocString_model_node_set_value@")
@@ -356,6 +359,7 @@ void sisso::descriptor_identifier::registerModel()
.add_property("feats", &Model::feats, "@DocString_model_feats@")
.add_property("coefs", &Model::coefs, "@DocString_model_coefs@")
.add_property("prop_unit", &Model::prop_unit, "@DocString_model_prop_unit@")
+ .add_property("prop_label", &Model::prop_label, "@DocString_model_prop_label@")
.add_property("task_size_train", &Model::task_sizes_train, "@DocString_model_task_sizes_train")
.add_property("task_size_test", &Model::task_sizes_test, "@DocString_model_task_sizes_test")
.add_property("fix_intercept", &Model::fix_intercept, "@DocString_model_fix_intercept")
@@ -364,15 +368,18 @@ void sisso::descriptor_identifier::registerModel()
void sisso::descriptor_identifier::registerModelRegressor()
{
- class_<ModelRegressor, bases<Model>>("ModelRegressor", init<Unit, std::vector<double>, std::vector<double>, std::vector<model_node_ptr>, std::vector<int>, std::vector<int>, bool>())
+ class_<ModelRegressor, bases<Model>>("ModelRegressor", init<std::string, Unit, std::vector<double>, std::vector<double>, std::vector<model_node_ptr>, std::vector<int>, std::vector<int>, bool>())
.def(init<std::string>())
.def(init<std::string, std::string>())
.def("__str__", &ModelRegressor::toString, "@DocString_model_reg_str@")
.def("__repr__", &ModelRegressor::toString, "@DocString_model_reg_str@")
+ .add_property("latex_str", &ModelRegressor::toLatexString, "@DocString_model_reg_latex_str@")
.add_property("fit", &ModelRegressor::prop_train_est, "@DocString_model_reg_prop_train_est@")
.add_property("predict", &ModelRegressor::prop_test_est, "@DocString_model_reg_prop_test_est@")
.add_property("train_error", &ModelRegressor::train_error, "@DocString_model_reg_train_error@")
.add_property("test_error", &ModelRegressor::test_error, "@DocString_model_reg_test_error@")
+ .add_property("r2", &ModelRegressor::r2, "@DocString_model_reg_r2@")
+ .add_property("test_r2", &ModelRegressor::test_r2, "@DocString_model_reg_test_r2@")
.add_property("rmse", &ModelRegressor::rmse, "@DocString_model_reg_rmse@")
.add_property("test_rmse", &ModelRegressor::test_rmse, "@DocString_model_reg_test_rmse@")
.add_property("max_ae", &ModelRegressor::max_ae, "@DocString_model_reg_max_ae@")
@@ -394,17 +401,18 @@ void sisso::descriptor_identifier::registerModelRegressor()
void sisso::descriptor_identifier::registerModelLogRegressor()
{
- class_<ModelLogRegressor, bases<ModelRegressor>>("ModelLogRegressor", init<Unit, std::vector<double>, std::vector<double>, std::vector<model_node_ptr>, std::vector<int>, std::vector<int>, bool>())
+ class_<ModelLogRegressor, bases<ModelRegressor>>("ModelLogRegressor", init<std::string, Unit, std::vector<double>, std::vector<double>, std::vector<model_node_ptr>, std::vector<int>, std::vector<int>, bool>())
.def(init<std::string>())
.def(init<std::string, std::string>())
- .def("__str__", &ModelRegressor::toString, "@DocString_model_reg_str@")
- .def("__repr__", &ModelRegressor::toString, "@DocString_model_reg_str@")
+ .def("__str__", &ModelLogRegressor::toString, "@DocString_model_log_reg_str@")
+ .def("__repr__", &ModelLogRegressor::toString, "@DocString_model_log_reg_str@")
+ .add_property("latex_str", &ModelLogRegressor::toLatexString, "@DocString_model_log_reg_latex_str@")
;
}
void sisso::descriptor_identifier::registerModelClassifier()
{
- class_<ModelClassifier, bases<Model>>("ModelClassifier", init<Unit, std::vector<double>, std::vector<double>, std::vector<model_node_ptr>, std::vector<int>, std::vector<int>, bool>())
+ class_<ModelClassifier, bases<Model>>("ModelClassifier", init<std::string, Unit, std::vector<double>, std::vector<double>, std::vector<model_node_ptr>, std::vector<int>, std::vector<int>, bool>())
.def(init<std::string>())
.def(init<std::string, std::string>())
.def(init<ModelClassifier, py::list, np::ndarray, np::ndarray>())
@@ -412,6 +420,7 @@ void sisso::descriptor_identifier::registerModelClassifier()
.def("__str__", &ModelClassifier::toString, "@DocString_model_class_str@")
.def("__repr__", &ModelClassifier::toString, "@DocString_model_class_str@")
.def("to_file", &ModelClassifier::to_file_py, "@DocString_model_class_to_file@")
+ .add_property("latex_str", &ModelClassifier::toLatexString, "@DocString_model_class_latex_str@")
.add_property("fit", &ModelClassifier::prop_train_est, "@DocString_model_class_prop_train_est@")
.add_property("predict", &ModelClassifier::prop_test_est, "@DocString_model_class_prop_test_est@")
.add_property("train_error", &ModelClassifier::train_error, "@DocString_model_class_train_error@")
@@ -442,26 +451,26 @@ void sisso::descriptor_identifier::registerSISSO_DI()
void sisso::descriptor_identifier::registerSISSORegressor()
{
- class_<SISSORegressor, bases<SISSO_DI>>("SISSORegressor", init<std::shared_ptr<FeatureSpace>, Unit, np::ndarray, np::ndarray, py::list, py::list, py::list, int, int, int, optional<bool>>())
+ class_<SISSORegressor, bases<SISSO_DI>>("SISSORegressor", init<std::shared_ptr<FeatureSpace>, std::string, Unit, np::ndarray, np::ndarray, py::list, py::list, py::list, int, int, int, optional<bool>>())
.def("fit", &SISSORegressor::fit, "@DocString_sisso_reg_fit@")
- .def(init<std::shared_ptr<FeatureSpace>, Unit, py::list, py::list, py::list, py::list, py::list, int, int, int, optional<bool>>())
+ .def(init<std::shared_ptr<FeatureSpace>, std::string, Unit, py::list, py::list, py::list, py::list, py::list, int, int, int, optional<bool>>())
.add_property("models", &SISSORegressor::models_py, "@DocString_sisso_reg_models_py@")
;
}
void sisso::descriptor_identifier::registerSISSOLogRegressor()
{
- class_<SISSOLogRegressor, bases<SISSORegressor>>("SISSOLogRegressor", init<std::shared_ptr<FeatureSpace>, Unit, np::ndarray, np::ndarray, py::list, py::list, py::list, int, int, int, optional<bool>>())
+ class_<SISSOLogRegressor, bases<SISSORegressor>>("SISSOLogRegressor", init<std::shared_ptr<FeatureSpace>, std::string, Unit, np::ndarray, np::ndarray, py::list, py::list, py::list, int, int, int, optional<bool>>())
.def("fit", &SISSOLogRegressor::fit, "@DocString_sisso_reg_fit@")
- .def(init<std::shared_ptr<FeatureSpace>, Unit, py::list, py::list, py::list, py::list, py::list, int, int, int, optional<bool>>())
- .add_property("models", &SISSOLogRegressor::models_py, "@DocString_sisso_reg_models_py@")
+ .def(init<std::shared_ptr<FeatureSpace>, std::string, Unit, py::list, py::list, py::list, py::list, py::list, int, int, int, optional<bool>>())
+ .add_property("models", &SISSOLogRegressor::models_log_reg_py, "@DocString_sisso_log_reg_models_py@")
;
}
void sisso::descriptor_identifier::registerSISSOClassifier()
{
- class_<SISSOClassifier, bases<SISSO_DI>>("SISSOClassifier", init<std::shared_ptr<FeatureSpace>, Unit, np::ndarray, np::ndarray, py::list, py::list, py::list, int, int, int>())
- .def(init<std::shared_ptr<FeatureSpace>, Unit, py::list, py::list, py::list, py::list, py::list, int, int, int>())
+ class_<SISSOClassifier, bases<SISSO_DI>>("SISSOClassifier", init<std::shared_ptr<FeatureSpace>, std::string, Unit, np::ndarray, np::ndarray, py::list, py::list, py::list, int, int, int>())
+ .def(init<std::shared_ptr<FeatureSpace>, std::string, Unit, py::list, py::list, py::list, py::list, py::list, int, int, int>())
.def("fit", &SISSOClassifier::fit, "@DocString_sisso_class_fit@")
.add_property("models", &SISSOClassifier::models_py, "@DocString_sisso_class_models_py@")
;
diff --git a/src/python/bindings_docstring_keyed.hpp b/src/python/bindings_docstring_keyed.hpp
index aab68b43..cee1f5b8 100644
--- a/src/python/bindings_docstring_keyed.hpp
+++ b/src/python/bindings_docstring_keyed.hpp
@@ -38,6 +38,7 @@ namespace sisso
{
public:
inline std::string expr(){return this->get_override("expr")();}
+ inline std::string get_latex_expr(std::string cap){return this->get_override("latex_expr")();}
inline Unit unit(){return this->get_override("unit")();}
inline std::vector<double> value(){return this->get_override("value")();}
inline std::vector<double> test_value(){return this->get_override("test_value")();}
@@ -69,6 +70,7 @@ namespace sisso
inline NODE_TYPE type(){return this->get_override("type")();}
inline int rung(int cur_rung = 0){return this->get_override("rung")();}
inline std::string expr(){return this->get_override("expr")();}
+ inline std::string get_latex_expr(std::string cap){return this->get_override("latex_expr")();}
inline Unit unit(){return this->get_override("unit")();}
inline std::string get_postfix_term(){return this->get_override("get_postfix_term")();}
inline void update_add_sub_leaves(std::map<std::string, int>& add_sub_leaves, int pl_mn, int& expected_abs_tot){this->get_override("update_add_sub_leaves")();}
@@ -103,6 +105,7 @@ namespace sisso
.def("set_test_value", py::pure_virtual(&OperatorNode<N>::set_test_value), "@DocString_op_node_set_test_value@")
.def("rung", py::pure_virtual(&OperatorNode<N>::rung), "@DocString_op_node_rung@")
.def("expr", py::pure_virtual(&OperatorNode<N>::expr), "@DocString_op_node_expr@")
+ .def("latex_expr", py::pure_virtual(&OperatorNode<N>::latex_expr), "@DocString_op_node_latex_expr@")
.def("unit", py::pure_virtual(&OperatorNode<N>::unit), "@DocString_op_node_unit@")
.add_property("n_feats", &OperatorNode<N>::n_feats, "@DocString_op_node_n_feats@")
.add_property("feat", &OperatorNode<N>::feat, "@DocString_op_node_feat@")
@@ -252,4 +255,4 @@ namespace sisso
}
}
-#endif
\ No newline at end of file
+#endif
diff --git a/src/python/descriptor_identifier/SISSOClassifier.cpp b/src/python/descriptor_identifier/SISSOClassifier.cpp
index b89ccbaa..ce949e2a 100644
--- a/src/python/descriptor_identifier/SISSOClassifier.cpp
+++ b/src/python/descriptor_identifier/SISSOClassifier.cpp
@@ -2,6 +2,7 @@
SISSOClassifier::SISSOClassifier(
std::shared_ptr<FeatureSpace> feat_space,
+ std::string prop_label,
Unit prop_unit,
np::ndarray prop,
np::ndarray prop_test,
@@ -12,7 +13,7 @@ SISSOClassifier::SISSOClassifier(
int n_residual,
int n_models_store
) :
- SISSO_DI(feat_space, prop_unit, prop, prop_test, task_sizes_train, task_sizes_test, leave_out_inds, n_dim, n_residual, n_models_store, false),
+ SISSO_DI(feat_space, prop_label, prop_unit, prop, prop_test, task_sizes_train, task_sizes_test, leave_out_inds, n_dim, n_residual, n_models_store, false),
_c(100.0),
_width(1.0e-5),
_n_class(1)
@@ -26,6 +27,7 @@ SISSOClassifier::SISSOClassifier(
SISSOClassifier::SISSOClassifier(
std::shared_ptr<FeatureSpace> feat_space,
+ std::string prop_label,
Unit prop_unit,
py::list prop,
py::list prop_test,
@@ -36,7 +38,7 @@ SISSOClassifier::SISSOClassifier(
int n_residual,
int n_models_store
) :
- SISSO_DI(feat_space, prop_unit, prop, prop_test, task_sizes_train, task_sizes_test, leave_out_inds, n_dim, n_residual, n_models_store, false),
+ SISSO_DI(feat_space, prop_label, prop_unit, prop, prop_test, task_sizes_train, task_sizes_test, leave_out_inds, n_dim, n_residual, n_models_store, false),
_c(100.0),
_width(1.0e-5),
_n_class(1)
diff --git a/src/python/descriptor_identifier/SISSOLogRegressor.cpp b/src/python/descriptor_identifier/SISSOLogRegressor.cpp
index c20a0351..3d3f02bd 100644
--- a/src/python/descriptor_identifier/SISSOLogRegressor.cpp
+++ b/src/python/descriptor_identifier/SISSOLogRegressor.cpp
@@ -2,6 +2,7 @@
SISSOLogRegressor::SISSOLogRegressor(
std::shared_ptr<FeatureSpace> feat_space,
+ std::string prop_label,
Unit prop_unit,
np::ndarray prop,
np::ndarray prop_test,
@@ -13,7 +14,7 @@ SISSOLogRegressor::SISSOLogRegressor(
int n_models_store,
bool fix_intercept
) :
- SISSORegressor(feat_space, prop_unit, prop, prop_test, task_sizes_train, task_sizes_test, leave_out_inds, n_dim, n_residual, n_models_store, fix_intercept),
+ SISSORegressor(feat_space, prop_label, prop_unit, prop, prop_test, task_sizes_train, task_sizes_test, leave_out_inds, n_dim, n_residual, n_models_store, fix_intercept),
_prop_no_log(_prop)
{
if(*std::min_element(_prop.begin(), _prop.end()) <= 0.0)
@@ -24,6 +25,7 @@ SISSOLogRegressor::SISSOLogRegressor(
SISSOLogRegressor::SISSOLogRegressor(
std::shared_ptr<FeatureSpace> feat_space,
+ std::string prop_label,
Unit prop_unit,
py::list prop,
py::list prop_test,
@@ -35,7 +37,7 @@ SISSOLogRegressor::SISSOLogRegressor(
int n_models_store,
bool fix_intercept
) :
- SISSORegressor(feat_space, prop_unit, prop, prop_test, task_sizes_train, task_sizes_test, leave_out_inds, n_dim, n_residual, n_models_store, fix_intercept),
+ SISSORegressor(feat_space, prop_label, prop_unit, prop, prop_test, task_sizes_train, task_sizes_test, leave_out_inds, n_dim, n_residual, n_models_store, fix_intercept),
_prop_no_log(_prop)
{
if(*std::min_element(_prop.begin(), _prop.end()) <= 0.0)
@@ -43,7 +45,7 @@ SISSOLogRegressor::SISSOLogRegressor(
std::transform(_prop.begin(), _prop.end(), _prop.begin(), [](double p){return std::log(p);});
}
-py::list SISSOLogRegressor::models_py()
+py::list SISSOLogRegressor::models_log_reg_py()
{
py::list model_list;
for(auto& mod_list : _models)
diff --git a/src/python/descriptor_identifier/SISSORegressor.cpp b/src/python/descriptor_identifier/SISSORegressor.cpp
index b4022200..12114787 100644
--- a/src/python/descriptor_identifier/SISSORegressor.cpp
+++ b/src/python/descriptor_identifier/SISSORegressor.cpp
@@ -2,6 +2,7 @@
SISSORegressor::SISSORegressor(
std::shared_ptr<FeatureSpace> feat_space,
+ std::string prop_label,
Unit prop_unit,
np::ndarray prop,
np::ndarray prop_test,
@@ -13,11 +14,12 @@ SISSORegressor::SISSORegressor(
int n_models_store,
bool fix_intercept
) :
- SISSO_DI(feat_space, prop_unit, prop, prop_test, task_sizes_train, task_sizes_test, leave_out_inds, n_dim, n_residual, n_models_store, fix_intercept)
+ SISSO_DI(feat_space, prop_label, prop_unit, prop, prop_test, task_sizes_train, task_sizes_test, leave_out_inds, n_dim, n_residual, n_models_store, fix_intercept)
{}
SISSORegressor::SISSORegressor(
std::shared_ptr<FeatureSpace> feat_space,
+ std::string prop_label,
Unit prop_unit,
py::list prop,
py::list prop_test,
@@ -29,7 +31,7 @@ SISSORegressor::SISSORegressor(
int n_models_store,
bool fix_intercept
) :
- SISSO_DI(feat_space, prop_unit, prop, prop_test, task_sizes_train, task_sizes_test, leave_out_inds, n_dim, n_residual, n_models_store, fix_intercept)
+ SISSO_DI(feat_space, prop_label, prop_unit, prop, prop_test, task_sizes_train, task_sizes_test, leave_out_inds, n_dim, n_residual, n_models_store, fix_intercept)
{}
py::list SISSORegressor::models_py()
diff --git a/src/python/descriptor_identifier/SISSO_DI.cpp b/src/python/descriptor_identifier/SISSO_DI.cpp
index 46989104..c7920cc4 100644
--- a/src/python/descriptor_identifier/SISSO_DI.cpp
+++ b/src/python/descriptor_identifier/SISSO_DI.cpp
@@ -2,6 +2,7 @@
SISSO_DI::SISSO_DI(
std::shared_ptr<FeatureSpace> feat_space,
+ std::string prop_label,
Unit prop_unit,
np::ndarray prop,
np::ndarray prop_test,
@@ -19,6 +20,7 @@ SISSO_DI::SISSO_DI(
_task_sizes_train(python_conv_utils::from_list<int>(task_sizes_train)),
_task_sizes_test(python_conv_utils::from_list<int>(task_sizes_test)),
_leave_out_inds(python_conv_utils::from_list<int>(leave_out_inds)),
+ _prop_label(prop_label),
_prop_unit(prop_unit),
_feat_space(feat_space),
_mpi_comm(feat_space->mpi_comm()),
@@ -34,6 +36,7 @@ SISSO_DI::SISSO_DI(
SISSO_DI::SISSO_DI(
std::shared_ptr<FeatureSpace> feat_space,
+ std::string prop_label,
Unit prop_unit,
py::list prop,
py::list prop_test,
@@ -51,6 +54,7 @@ SISSO_DI::SISSO_DI(
_task_sizes_train(python_conv_utils::from_list<int>(task_sizes_train)),
_task_sizes_test(python_conv_utils::from_list<int>(task_sizes_test)),
_leave_out_inds(python_conv_utils::from_list<int>(leave_out_inds)),
+ _prop_label(prop_label),
_prop_unit(prop_unit),
_feat_space(feat_space),
_mpi_comm(feat_space->mpi_comm()),
diff --git a/src/python/feature_creation/FeatureSpace.cpp b/src/python/feature_creation/FeatureSpace.cpp
index 8371b387..b450a230 100644
--- a/src/python/feature_creation/FeatureSpace.cpp
+++ b/src/python/feature_creation/FeatureSpace.cpp
@@ -95,12 +95,39 @@ FeatureSpace::FeatureSpace(
_n_rung_generate(0)
{
_n_samp = _phi_0[0]->n_samp();
+
if(project_type.compare("regression") == 0)
+ {
_project = project_funcs::project_r2;
+ _project_no_omp = project_funcs::project_r2_no_omp;
+ }
else if(project_type.compare("classification") == 0)
+ {
_project = project_funcs::project_classify;
+ _project_no_omp = project_funcs::project_classify_no_omp;
+ }
+ else if(project_type.compare("log_regression") == 0)
+ {
+ if(_task_sizes.size() > 1)
+ throw std::logic_error("Log Regression can not be done using multiple tasks.");
+ _project = project_funcs::project_log_r2;
+ _project_no_omp = project_funcs::project_log_r2_no_omp;
+ }
else
+ {
throw std::logic_error("Wrong projection type passed to FeatureSpace constructor.");
+ }
+
+ if(_cross_cor_max < 0.99999)
+ {
+ _is_valid = comp_feats::valid_feature_against_selected;
+ _is_valid_feat_list = comp_feats::valid_feature_against_selected_feat_list;
+ }
+ else
+ {
+ _is_valid = comp_feats::valid_feature_against_selected_max_corr_1;
+ _is_valid_feat_list = comp_feats::valid_feature_against_selected_max_corr_1_feat_list;
+ }
std::vector<node_ptr> phi_temp = str2node::phi_from_file(feature_file, _phi_0);
@@ -153,7 +180,7 @@ py::list FeatureSpace::phi_py()
{
py::list feat_lst;
for(auto& feat : _phi)
- feat_lst.append<ModelNode>(ModelNode(feat->feat_ind(), feat->rung(), feat->expr(), feat->postfix_expr(), feat->value(), feat->test_value(), feat->unit()));
+ feat_lst.append<ModelNode>(ModelNode(feat->feat_ind(), feat->rung(), feat->expr(), feat->latex_expr(), feat->postfix_expr(), feat->value(), feat->test_value(), feat->unit()));
return feat_lst;
}
@@ -161,6 +188,6 @@ py::list FeatureSpace::phi_selected_py()
{
py::list feat_lst;
for(auto& feat : _phi_selected)
- feat_lst.append<ModelNode>(ModelNode(feat->feat_ind(), feat->rung(), feat->expr(), feat->postfix_expr(), feat->value(), feat->test_value(), feat->unit()));
+ feat_lst.append<ModelNode>(ModelNode(feat->feat_ind(), feat->rung(), feat->expr(), feat->latex_expr(), feat->postfix_expr(), feat->value(), feat->test_value(), feat->unit()));
return feat_lst;
}
diff --git a/src/python/feature_creation/node_utils.cpp b/src/python/feature_creation/node_utils.cpp
index d89a3225..22dd2722 100644
--- a/src/python/feature_creation/node_utils.cpp
+++ b/src/python/feature_creation/node_utils.cpp
@@ -5,6 +5,6 @@ py::list str2node::phi_selected_from_file_py(std::string filename, py::list phi_
std::vector<node_ptr> phi_selected = phi_selected_from_file(filename, python_conv_utils::shared_ptr_vec_from_list<Node, FeatureNode>(phi_0));
py::list feat_lst;
for(auto& feat : phi_selected)
- feat_lst.append<ModelNode>(ModelNode(feat->d_mat_ind(), feat->rung(), feat->expr(), feat->postfix_expr(), feat->value(), feat->test_value(), feat->unit()));
+ feat_lst.append<ModelNode>(ModelNode(feat->d_mat_ind(), feat->rung(), feat->expr(), feat->latex_expr(), feat->postfix_expr(), feat->value(), feat->test_value(), feat->unit()));
return feat_lst;
-}
\ No newline at end of file
+}
diff --git a/src/python/postprocess/__init__.py b/src/python/postprocess/__init__.py
index fd104116..3bcb73ba 100644
--- a/src/python/postprocess/__init__.py
+++ b/src/python/postprocess/__init__.py
@@ -1,20 +1,185 @@
from cpp_sisso.postprocess.check_cv_convergence import jackknife_cv_conv_est
from cpp_sisso.postprocess.plotting import plt, config
from cpp_sisso.postprocess.plotting.utils import adjust_box_widths, latexify
-from cpp_sisso.postprocess.utils import get_models
-from cpp_sisso import ModelRegressor, ModelClassifier
+from cpp_sisso.postprocess.utils import get_models, load_model
+from cpp_sisso import ModelRegressor, ModelLogRegressor, ModelClassifier
import toml
import numpy as np
import pandas as pd
+from scipy.stats import linregress
+
from copy import deepcopy
from glob import glob
import seaborn as sns
-def generate_plot(dir_expr, filename, fig_settings=None):
+def plot_model_ml_plot(model, filename=None, fig_settings=None):
+ """Wrapper to plot_model for a set of training and testing data
+
+ Args:
+ model: The model to plot
+ filename (str): Name of the file to store the plot in
+ fig_settings (adict): non-default plot settings
+
+ Rerturns:
+ matplotlib.pyplot.Figure: The machine learning plot of the given model
+ """
+
+ if isinstance(model, ModelClassifier):
+ raise ValueError(
+ "Machine learning plots are designed for regression type plots"
+ )
+
+ if isinstance(fig_settings, str):
+ fig_settings = toml.load(fig_settings)
+
+ fig_config = deepcopy(config)
+ if fig_settings:
+ fig_config.update(fig_settings)
+
+ fig, ax = plt.subplots(
+ nrows=1,
+ ncols=1,
+ figsize=[fig_config["size"]["width"], fig_config["size"]["height"]],
+ )
+ fig.subplots_adjust(**fig_config["subplots_adjust_single_axis"])
+
+ ax.set_xlabel(model.prop_label + " (" + model.prop_unit.latex_str + ")")
+ ax.set_ylabel(
+ f"Estimated {model.prop_label}" + " (" + model.prop_unit.latex_str + ")"
+ )
+ if len(model.prop_test) > 0:
+ lims = [
+ min(
+ min(model.prop_train.min(), model.prop_test.min()),
+ min(model.fit.min(), model.predict.min()),
+ ),
+ max(
+ max(model.prop_train.max(), model.prop_test.max()),
+ max(model.fit.max(), model.predict.max()),
+ ),
+ ]
+ else:
+ lims = [
+ min(model.prop_train.min(), model.fit.min()),
+ max(model.prop_train.max(), model.fit.max()),
+ ]
+ lim_range = lims[1] - lims[0]
+ lims[0] -= lim_range * 0.1
+ lims[1] += lim_range * 0.1
+
+ ax.set_xlim(lims)
+ ax.set_ylim(lims)
+
+ xx = ax.plot(lims, lims, "--", color="#555555")
+ error_label = f"Training $R^2$: {model.r2: .2f}"
+ ax.plot(
+ model.prop_train,
+ model.fit,
+ "o",
+ color=fig_config["colors"]["train"],
+ label="train",
+ )
+ if len(model.prop_test) > 0:
+ ax.plot(
+ model.prop_test,
+ model.predict,
+ "s",
+ color=fig_config["colors"]["box_test_edge"],
+ label="test",
+ )
+ ax.legend(loc="upper left")
+ error_label += f"\nTesting $R^2$: {model.test_r2 :.2f}"
+
+ ax.text(
+ 0.99,
+ 0.01,
+ error_label,
+ horizontalalignment="right",
+ verticalalignment="bottom",
+ transform=ax.transAxes,
+ )
+ if filename:
+ fig.savefig(filename)
+
+ return fig
+
+
+def plot_model_ml_plot_from_file(
+ train_file, test_file=None, filename=None, fig_settings=None
+):
+ """Wrapper to plot_model for a set of training and testing data
+
+ Args:
+ tarin_file (str): The filename of the training file
+ test_file (str): The filename of the testing file
+ filename (str): Name of the file to store the plot in
+ fig_settings (adict): non-default plot settings
+
+ Rerturns:
+ matplotlib.pyplot.Figure: The machine learning plot of the given model
+ """
+ return plot_model_ml_plot(load_model(train_file, test_file), filename, fig_settings)
+
+
+def plot_validation_rmse(models, filename=None, fig_settings=None):
+ """Plots the mean validation rmses/standard deviation using jack-knife resampling
+
+ Args:
+ models (list of Models or str): The list of models to plot
+ filename (str): Name of the file to store the plot in
+ fig_settings (adict): non-default plot settings
+
+ Returns:
+ matplotlib.pyplot.Figure: The resulting plot
+ """
+ if isinstance(models, str):
+ models = get_models(models)
+
+ if isinstance(fig_settings, str):
+ fig_settings = toml.load(fig_settings)
+
+ fig_config = deepcopy(config)
+ if fig_settings:
+ fig_config.update(fig_settings)
+
+ fig, ax = plt.subplots(
+ nrows=1,
+ ncols=1,
+ figsize=[fig_config["size"]["width"], fig_config["size"]["height"]],
+ )
+ fig.subplots_adjust(**fig_config["subplots_adjust_single_axis"])
+
+ n_dim = np.max([model_list[0].n_dim for model_list in models])
+ mean_val_rmse, var_val_rmse = jackknife_cv_conv_est(models)
+
+ ax.set_xlabel("Model Dimension")
+ ax.set_ylabel("Validation RMSE (" + str(models[0][0].prop_unit.latex_str) + ")")
+
+ ax.plot(
+ np.arange(1, n_dim + 1, dtype=np.int64),
+ mean_val_rmse,
+ "o",
+ color=fig_config["colors"]["box_test_edge"],
+ )
+ ax.errorbar(
+ np.arange(1, n_dim + 1, dtype=np.int64),
+ mean_val_rmse,
+ yerr=np.sqrt(var_val_rmse),
+ capsize=5.0,
+ capthick=1.5,
+ linewidth=1.5,
+ color=fig_config["colors"]["box_test_edge"],
+ )
+ if filename:
+ fig.savefig(filename)
+ return fig
+
+
+def generate_plot(dir_expr, filename=None, fig_settings=None):
"""Generate a plot a plot from a set of plot settings (defaults stored in config)
Args:
@@ -36,7 +201,7 @@ def generate_plot(dir_expr, filename, fig_settings=None):
ncols=1,
figsize=[fig_config["size"]["width"], fig_config["size"]["height"]],
)
- fig.subplots_adjust(**fig_config["subplots_adjust"])
+ fig.subplots_adjust(**fig_config["subplots_adjust_single_axis"])
ax.set_xlabel("Model Dimension")
models = get_models(dir_expr)
@@ -56,7 +221,7 @@ def generate_plot(dir_expr, filename, fig_settings=None):
if fig_config["plot_options"]["type"] == "split":
# Set yaxis label
- ax.set_ylabel("Absolute Error (" + latexify(str(models[0][0].prop_unit)) + ")")
+ ax.set_ylabel("Absolute Error (" + str(models[0][0].prop_unit.latex_str) + ")")
# Populate data
for nn in range(len(models)):
@@ -112,7 +277,9 @@ def generate_plot(dir_expr, filename, fig_settings=None):
]
elif fig_config["plot_options"]["type"] == "train":
# Set yaxis label
- ax.set_ylabel("Absolute Training Error (" + latexify(str(models[0][0].prop_unit)) + ")")
+ ax.set_ylabel(
+ "Absolute Training Error (" + latexify(str(models[0][0].prop_unit)) + ")"
+ )
# Populate data
for nn in range(len(models)):
train_error = np.array(
@@ -140,7 +307,9 @@ def generate_plot(dir_expr, filename, fig_settings=None):
plot_settings["box_edge_colors"] = [fig_config["colors"]["box_train_edge"]]
elif fig_config["plot_options"]["type"] == "test":
# Set yaxis label
- ax.set_ylabel("Absolute Test Error (" + latexify(str(models[0][0].prop_unit)) + ")")
+ ax.set_ylabel(
+ "Absolute Test Error (" + latexify(str(models[0][0].prop_unit)) + ")"
+ )
# Populate data
for nn in range(len(models)):
@@ -235,7 +404,9 @@ def generate_plot(dir_expr, filename, fig_settings=None):
zorder=0,
)
- fig.savefig(filename)
+ if filename:
+ fig.savefig(filename)
+
return fig
@@ -318,45 +489,3 @@ def add_pointplot(ax, data, plot_settings):
zorder=4,
scale=0.75,
)
-
-
-def jackknife_cv_conv_est(dir_expr):
- """Get the jackknife variance of the CV test error
-
- Args:
- dir_expr (str): Regular expression for the directory list
-
- Returns:
- avg_error: The average rmse of the test error
- variance: The jackknife estimate of the variance of the test RMSE
- """
- train_model_list = sorted(
- glob(dir_expr + "/models/train_*_model_0.dat"),
- key=lambda s: int(s.split("/")[-1].split("_")[2]),
- )
- test_model_list = sorted(
- glob(dir_expr + "/models/test_*_model_0.dat"),
- key=lambda s: int(s.split("/")[-1].split("_")[2]),
- )
- n_dim = int(train_model_list[-1].split("/")[-1].split("_")[2])
-
- models = [
- ModelRegressor(train_file, test_file)
- for train_file, test_file in zip(train_model_list, test_model_list)
- ]
-
- test_rmse = np.array([model.test_rmse for model in models]).reshape(n_dim, -1)
- x_bar_i = []
- for dim_error in test_rmse:
- x_bar_i.append([])
- for ii in range(len(dim_error)):
- x_bar_i[-1].append(np.delete(dim_error, ii).mean())
-
- x_bar_i = np.array(x_bar_i)
- avg_error = x_bar_i.mean(axis=1)
- variance = (
- (test_rmse.shape[1] - 1.0)
- / test_rmse.shape[1]
- * np.sum((x_bar_i - avg_error.reshape(n_dim, 1)) ** 2.0, axis=1)
- )
- return avg_error, variance
diff --git a/src/python/postprocess/check_cv_convergence.py b/src/python/postprocess/check_cv_convergence.py
index 12073daa..c260228f 100644
--- a/src/python/postprocess/check_cv_convergence.py
+++ b/src/python/postprocess/check_cv_convergence.py
@@ -1,33 +1,26 @@
import numpy as np
from glob import glob
+from cpp_sisso.postprocess.utils import get_models
-def jackknife_cv_conv_est(dir_expr):
+
+def jackknife_cv_conv_est(models):
"""Get the jackknife variance of the CV test error
Args:
- dir_expr (str): Regular expression for the directory list
+ models (str or list ofModelRegressor or ModelLogRegressor): Models to evaluate
Returns:
avg_error: The average rmse of the test error
variance: The jackknife estimate of the variance of the test RMSE
"""
- train_model_list = sorted(
- glob(dir_expr + "/models/train_*_model_0.dat"),
- key=lambda s: int(s.split("/")[-1].split("_")[2]),
- )
- test_model_list = sorted(
- glob(dir_expr + "/models/test_*_model_0.dat"),
- key=lambda s: int(s.split("/")[-1].split("_")[2]),
- )
- n_dim = int(train_model_list[-1].split("/")[-1].split("_")[2])
+ if isinstance(models, str):
+ models = get_models(models)
- models = [
- Model(train_file, test_file)
- for train_file, test_file in zip(train_model_list, test_model_list)
- ]
-
- test_rmse = np.array([model.test_rmse for model in models]).reshape(n_dim, -1)
+ n_dim = np.max([model_list[0].n_dim for model_list in models])
+ test_rmse = np.array([model.test_rmse for model in models.flatten()]).reshape(
+ n_dim, -1
+ )
x_bar_i = []
for dim_error in test_rmse:
x_bar_i.append([])
diff --git a/src/python/postprocess/plotting/config.py b/src/python/postprocess/plotting/config.py
index 721c0073..ad26105b 100644
--- a/src/python/postprocess/plotting/config.py
+++ b/src/python/postprocess/plotting/config.py
@@ -4,7 +4,7 @@ import toml
from pathlib import Path
-mpl.use("pdf")
+# mpl.use("pdf")
parent = Path(__file__).parent
diff --git a/src/python/postprocess/plotting/config.toml b/src/python/postprocess/plotting/config.toml
index 2027a549..7c3111c7 100644
--- a/src/python/postprocess/plotting/config.toml
+++ b/src/python/postprocess/plotting/config.toml
@@ -1,6 +1,6 @@
[size]
-width = 3.24
-ratio = 1.33333333
+width = 3.25
+height = 2.5
[colors]
train = "#619365"
@@ -16,6 +16,12 @@ right = 0.835
bottom = 0.165
top = 0.95
+[subplots_adjust_single_axis]
+left = 0.165
+right = 0.95
+bottom = 0.165
+top = 0.95
+
[save.kw]
transparent = true
@@ -48,4 +54,4 @@ mean_marker_type = "o"
median_marker_type = "_"
show_box_outliers = false
show_box_caps = false
-show_means = true
\ No newline at end of file
+show_means = true
diff --git a/src/python/postprocess/utils.py b/src/python/postprocess/utils.py
index d3d42488..c08b7e43 100644
--- a/src/python/postprocess/utils.py
+++ b/src/python/postprocess/utils.py
@@ -1,7 +1,8 @@
-from cpp_sisso import ModelRegressor, ModelClassifier
+from cpp_sisso import ModelRegressor, ModelLogRegressor, ModelClassifier
from glob import glob
import numpy as np
+
def sort_model_file_key(s):
"""Function to determine the order of model files to import
@@ -14,6 +15,36 @@ def sort_model_file_key(s):
return s.split("/")[-1].split("_")[2]
+def load_model(train_file, test_file=None):
+ """Loads the correct model from a training and test file
+
+ Args:
+ tarin_file (str): The filename of the training file
+ test_file (str): The filename of the testing file
+
+ Returns:
+ model: The model from the files
+ """
+ model_line = open(train_file, "r").readline()[2:]
+ if model_line[0] == "[":
+ if test_file:
+ return ModelClassifier(train_file, test_file)
+ else:
+ return ModelClassifier(train_file)
+ elif model_line[:4] == "c0 +":
+ if test_file:
+ return ModelRegressor(train_file, test_file)
+ else:
+ return ModelRegressor(train_file)
+ elif model_line[:4] == "c0 *":
+ if test_file:
+ return ModelLogRegressor(train_file, test_file)
+ else:
+ return ModelLogRegressor(train_file)
+ else:
+ raise ValueError("Model type is not defind.")
+
+
def get_models(dir_expr):
"""From a regular expression generate a list of models
@@ -23,19 +54,24 @@ def get_models(dir_expr):
Return:
list of Models: Models represented by the expression
"""
- train_model_list = sorted(
- glob(dir_expr + "/models/train_*_model_0.dat"), key=sort_model_file_key
- )
- test_model_list = sorted(
- glob(dir_expr + "/models/test_*_model_0.dat"), key=sort_model_file_key
- )
+ dir_list = sorted(glob(dir_expr))
+ train_model_list = []
+ test_model_list = []
+ for direc in dir_list:
+ train_model_list += list(glob(direc + "/models/train_*_model_0.dat"))
+ test_model_list += list(glob(direc + "/models/test_*_model_0.dat"))
+
+ train_model_list = sorted(train_model_list, key=sort_model_file_key)
+ test_model_list = sorted(test_model_list, key=sort_model_file_key)
+
n_dim = int(train_model_list[-1].split("/")[-1].split("_")[2])
+
if len(test_model_list) > 0:
- models = [
- ModelRegressor(train_file, test_file)
+ models = [
+ load_model(train_file, test_file)
for train_file, test_file in zip(train_model_list, test_model_list)
]
else:
- models = [ModelRegressor(train_file) for train_file in train_model_list]
+ models = [load_model(train_file) for train_file in train_model_list]
return np.array(models).reshape((n_dim, len(models) // n_dim))
diff --git a/src/utils/string_utils.cpp b/src/utils/string_utils.cpp
index 9691d2fb..04e63b3b 100644
--- a/src/utils/string_utils.cpp
+++ b/src/utils/string_utils.cpp
@@ -9,3 +9,23 @@ std::vector<std::string> str_utils::split_string_trim(std::string str, std::stri
return split_str;
}
+
+std::string str_utils::latexify(std::string str)
+{
+ std::string to_ret = "";
+ std::vector<std::string> split_str = split_string_trim(str, " ");
+ for(auto& term_str : split_str)
+ {
+ std::vector<std::string> split_term_str = split_string_trim(term_str, "_");
+ to_ret += split_term_str[0];
+ if(split_term_str.size() > 1)
+ {
+ to_ret += "_{" + split_term_str[1];
+ for(int ii = 2; ii < split_term_str.size(); ++ii)
+ to_ret += ", " + split_term_str[ii];
+ to_ret += "}";
+ }
+ to_ret += " ";
+ }
+ return to_ret.substr(0, to_ret.size() - 1);
+}
diff --git a/src/utils/string_utils.hpp b/src/utils/string_utils.hpp
index e34fd167..0db946eb 100644
--- a/src/utils/string_utils.hpp
+++ b/src/utils/string_utils.hpp
@@ -25,7 +25,9 @@ namespace str_utils
* @return The vector with the string split along the split tokens
*/
std::vector<std::string> split_string_trim(std::string str, std::string split_tokens = ",;:");
+
+ std::string latexify(std::string str);
}
-#endif
\ No newline at end of file
+#endif
diff --git a/tests/exec_test/check_model.py b/tests/exec_test/check_model.py
index 86bb8946..0380ccc9 100644
--- a/tests/exec_test/check_model.py
+++ b/tests/exec_test/check_model.py
@@ -1,4 +1,4 @@
-from cpp_sisso import ModelRegressor
+from sissopp import ModelRegressor
from pathlib import Path
import numpy as np
diff --git a/tests/exec_test/classification/check_model.py b/tests/exec_test/classification/check_model.py
new file mode 100644
index 00000000..5958c75a
--- /dev/null
+++ b/tests/exec_test/classification/check_model.py
@@ -0,0 +1,10 @@
+from sissopp import ModelClassifier
+from pathlib import Path
+
+import numpy as np
+
+model = ModelClassifier(
+ str("models/train_dim_2_model_0.dat"), str("models/test_dim_2_model_0.dat")
+)
+assert model.percent_error < 1e-7
+assert model.percent_test_error < 1e-7
diff --git a/tests/exec_test/classification/data.csv b/tests/exec_test/classification/data.csv
new file mode 100644
index 00000000..6c0ead3c
--- /dev/null
+++ b/tests/exec_test/classification/data.csv
@@ -0,0 +1,101 @@
+index,prop,A,B,C,D,E,F,G,H,I,J
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diff --git a/tests/exec_test/classification/sisso.json b/tests/exec_test/classification/sisso.json
new file mode 100644
index 00000000..d08faba2
--- /dev/null
+++ b/tests/exec_test/classification/sisso.json
@@ -0,0 +1,14 @@
+{
+ "desc_dim": 2,
+ "n_sis_select": 1,
+ "max_rung": 1,
+ "n_residual": 1,
+ "data_file": "data.csv",
+ "property_key": "prop",
+ "leave_out_frac": 0.2,
+ "n_models_store": 1,
+ "calc_type": "classification",
+ "leave_out_inds": [80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95 ,96 ,97, 98 , 99],
+ "opset": ["add", "sub", "abs_diff", "mult", "div", "inv", "abs", "exp", "log", "sin", "cos", "sq", "cb", "six_pow", "sqrt", "cbrt", "neg_exp"],
+ "fix_intercept": false
+}
diff --git a/tests/data.csv b/tests/exec_test/default/data.csv
similarity index 99%
rename from tests/data.csv
rename to tests/exec_test/default/data.csv
index 57be8572..00650540 100644
--- a/tests/data.csv
+++ b/tests/exec_test/default/data.csv
@@ -1,4 +1,4 @@
-Sample,Task,Prop,A (m),B (s),C ,D (Unitless)
+Sample,Task,Prop,A (m),B (s),C,D (Unitless)
1,X,1031303.34310437,40047.7725031033,81.6019767547866,12535.2818525271,-683.666065848847
2,X,207179.181972689,8273.93114052335,47.4359192293739,2518.19019867913,-1407.86160002623
3,X,594547.990034924,-24495.5390890833,46.3994727792424,7226.59341895378,-154.449699580799
diff --git a/tests/exec_test/default/sisso.json b/tests/exec_test/default/sisso.json
new file mode 100644
index 00000000..14446f06
--- /dev/null
+++ b/tests/exec_test/default/sisso.json
@@ -0,0 +1,14 @@
+{
+ "desc_dim": 2,
+ "n_sis_select": 1,
+ "max_rung": 2,
+ "n_residual": 1,
+ "data_file": "data.csv",
+ "property_key": "Prop",
+ "task_key": "Task",
+ "leave_out_frac": 0.05,
+ "n_models_store": 1,
+ "leave_out_inds": [0, 1, 2, 60, 61],
+ "opset": ["add", "sub", "abs_diff", "mult", "div", "inv", "abs", "exp", "log", "sin", "cos", "sq", "cb", "six_pow", "sqrt", "cbrt", "neg_exp"],
+ "fix_intercept": false
+}
diff --git a/tests/exec_test/gen_proj/sisso.json b/tests/exec_test/gen_proj/sisso.json
new file mode 100644
index 00000000..82a1a850
--- /dev/null
+++ b/tests/exec_test/gen_proj/sisso.json
@@ -0,0 +1,15 @@
+{
+ "desc_dim": 2,
+ "n_sis_select": 1,
+ "max_rung": 2,
+ "n_residual": 1,
+ "data_file": "../data.csv",
+ "property_key": "Prop",
+ "task_key": "Task",
+ "leave_out_frac": 0.05,
+ "n_models_store": 1,
+ "n_rung_generate": 1,
+ "leave_out_inds": [0, 1, 2, 60, 61],
+ "opset": ["add", "sub", "abs_diff", "mult", "div", "inv", "abs", "exp", "log", "sin", "cos", "sq", "cb", "six_pow", "sqrt", "cbrt", "neg_exp"],
+ "fix_intercept": false
+}
diff --git a/tests/exec_test/log_reg/data.csv b/tests/exec_test/log_reg/data.csv
new file mode 100644
index 00000000..ca8bf5a5
--- /dev/null
+++ b/tests/exec_test/log_reg/data.csv
@@ -0,0 +1,101 @@
+Sample,Prop,A,B,C,D
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+2,0.051286552544473,207.151687934325,385.803129282962,232.077642053051,152.451146796233
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+9,0.084392098447046,262.904172099227,476.075762264071,95.6336322308505,269.096484900607
+10,0.044467510536784,447.85350715457,423.476173355266,422.140647530134,105.30966798588
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diff --git a/tests/exec_test/log_reg/sisso.json b/tests/exec_test/log_reg/sisso.json
new file mode 100644
index 00000000..02f6a552
--- /dev/null
+++ b/tests/exec_test/log_reg/sisso.json
@@ -0,0 +1,14 @@
+{
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+ "max_rung": 1,
+ "n_residual": 1,
+ "data_file": "data.csv",
+ "property_key": "Prop",
+ "leave_out_frac": 0.05,
+ "n_models_store": 1,
+ "calc_type": "log_regression",
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+ "fix_intercept": false
+}
diff --git a/tests/exec_test/max_corr/sisso.json b/tests/exec_test/max_corr/sisso.json
new file mode 100644
index 00000000..124243f9
--- /dev/null
+++ b/tests/exec_test/max_corr/sisso.json
@@ -0,0 +1,15 @@
+{
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+ "n_sis_select": 1,
+ "max_rung": 2,
+ "n_residual": 1,
+ "data_file": "../data.csv",
+ "property_key": "Prop",
+ "task_key": "Task",
+ "leave_out_frac": 0.05,
+ "n_models_store": 1,
+ "max_feat_cross_correlation": 0.9,
+ "leave_out_inds": [0, 1, 2, 60, 61],
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+ "fix_intercept": false
+}
diff --git a/tests/pytest/data.csv b/tests/pytest/data.csv
new file mode 100644
index 00000000..9f314329
--- /dev/null
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diff --git a/tests/test_classification/test_classification.py b/tests/pytest/test_classification/test_classification.py
similarity index 93%
rename from tests/test_classification/test_classification.py
rename to tests/pytest/test_classification/test_classification.py
index 5de1e0aa..c1c33104 100644
--- a/tests/test_classification/test_classification.py
+++ b/tests/pytest/test_classification/test_classification.py
@@ -76,7 +76,17 @@ def test_sisso_classifier():
feat_space = generate_fs(phi_0, prop, [80], op_set, "classification", 1, 10)
sisso = SISSOClassifier(
- feat_space, Unit("m"), prop, prop_test, [80], [20], list(range(10)), 2, 1, 1
+ feat_space,
+ "class",
+ Unit("m"),
+ prop,
+ prop_test,
+ [80],
+ [20],
+ list(range(10)),
+ 2,
+ 1,
+ 1,
)
sisso.fit()
diff --git a/tests/pytest/test_descriptor_identifier/model_files/test.dat b/tests/pytest/test_descriptor_identifier/model_files/test.dat
new file mode 100644
index 00000000..ebd30213
--- /dev/null
+++ b/tests/pytest/test_descriptor_identifier/model_files/test.dat
@@ -0,0 +1,22 @@
+# c0 + a0 * [(B) / ((A)^2)] + a1 * C
+# Property Label: $Prop$; Unit of the Property: Unitless
+# RMSE: 1.85169904965289e-09; Max AE: 3.25962901115417e-09
+# Coefficients
+# Task a0 a1 c0
+# 0, -7.215479542045696e+00, 8.227180000000007e+01, 3.141589999622815e+00,
+# 1, 9.914521341156421e+01, -1.423659000000001e+02, -5.254860000136937e+00,
+# Feature Rung, Units, and Expressions
+# 0; 2; m^-2 * s; 1|0|sq|div; [(B) / ((A)^2)]; $\left(\frac{B}{\left(A^2\right)}\right)$
+# 1; 0; Unitless; 2; C; $$
+# Number of Samples Per Task
+# Task; n_mats_test
+# 0, 3
+# 1, 2
+# Test Indexes: [ 0, 1, 2, 60, 61 ]
+
+#Property Value Property Value (EST) Feature 0 Value Feature 1 Value
+ 1.031303343104370e+06, 1.031303343104372e+06, 5.087963053254981e-08, 1.253528185252710e+04
+ 2.071791819726890e+05, 2.071791819726897e+05, 6.929206698600502e-07, 2.518190198679130e+03
+ 5.945479900349240e+05, 5.945479900349238e+05, 7.732840323401594e-08, 7.226593418953780e+03
+-1.747903770607640e+06, -1.747903770607637e+06, 3.089720438913970e-07, 1.227750827816400e+04
+-6.020310027164250e+05, -6.020310027164250e+05, 7.913240374082342e-08, 4.228721539808830e+03
diff --git a/tests/pytest/test_descriptor_identifier/model_files/train.dat b/tests/pytest/test_descriptor_identifier/model_files/train.dat
new file mode 100644
index 00000000..ca807201
--- /dev/null
+++ b/tests/pytest/test_descriptor_identifier/model_files/train.dat
@@ -0,0 +1,111 @@
+# c0 + a0 * [(B) / ((A)^2)] + a1 * C
+# Property Label: $Prop$; Unit of the Property: Unitless
+# RMSE: 2.74896402033522e-09; Max AE: 9.31322574615479e-09
+# Coefficients
+# Task a0 a1 c0
+# 0, -7.215479542045696e+00, 8.227180000000007e+01, 3.141589999622815e+00,
+# 1, 9.914521341156421e+01, -1.423659000000001e+02, -5.254860000136937e+00,
+# Feature Rung, Units, and Expressions
+# 0; 2; m^-2 * s; 1|0|sq|div; [(B) / ((A)^2)]; $\left(\frac{B}{\left(A^2\right)}\right)$
+# 1; 0; Unitless; 2; C; $$
+# Number of Samples Per Task
+# Task; n_mats_train
+# 0, 57
+# 1, 38
+
+#Property Value Property Value (EST) Feature 0 Value Feature 1 Value
+ 1.431871750857350e+06, 1.431871750857357e+06, 2.697060006837511e-06, 1.740412400466280e+04
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diff --git a/tests/pytest/test_descriptor_identifier/test_log_regressor.py b/tests/pytest/test_descriptor_identifier/test_log_regressor.py
new file mode 100644
index 00000000..bfb78239
--- /dev/null
+++ b/tests/pytest/test_descriptor_identifier/test_log_regressor.py
@@ -0,0 +1,60 @@
+import shutil
+import numpy as np
+from cpp_sisso import (
+ FeatureNode,
+ generate_fs,
+ Unit,
+ initialize_values_arr,
+ SISSOLogRegressor,
+)
+
+
+def test_sisso_log_regressor():
+ initialize_values_arr(90, 10, 10)
+ phi_0 = [
+ FeatureNode(
+ ff,
+ f"feat_{ff}",
+ np.random.random(90) * 1e2,
+ np.random.random(10) * 1e2,
+ Unit(),
+ )
+ for ff in range(10)
+ ]
+
+ a0 = 0.95
+ a1 = 1.01
+ c0 = np.random.random() * 100.0
+ prop = c0 * np.power(phi_0[0].value, a0) * np.power(phi_0[2].value, a1)
+ prop_test = (
+ c0 * np.power(phi_0[0].test_value, a0) * np.power(phi_0[2].test_value, a1)
+ )
+
+ op_set = ["add", "sub", "mult", "sq", "cb", "sqrt", "cbrt"]
+
+ feat_space = generate_fs(phi_0, prop, [90], op_set, "log_regression", 0, 5)
+
+ sisso = SISSOLogRegressor(
+ feat_space,
+ "prop",
+ Unit("m"),
+ prop,
+ prop_test,
+ [90],
+ [10],
+ list(range(10)),
+ 2,
+ 1,
+ 1,
+ False,
+ )
+ sisso.fit()
+ shutil.rmtree("models/")
+ shutil.rmtree("feature_space/")
+
+ assert sisso.models[1][0].rmse < 1e-7
+ assert sisso.models[1][0].test_rmse < 1e-7
+
+
+if __name__ == "__main__":
+ test_sisso_log_regressor()
diff --git a/tests/test_descriptor_identifier/test_model.py b/tests/pytest/test_descriptor_identifier/test_model.py
similarity index 88%
rename from tests/test_descriptor_identifier/test_model.py
rename to tests/pytest/test_descriptor_identifier/test_model.py
index 0f156dba..165eb1f9 100644
--- a/tests/test_descriptor_identifier/test_model.py
+++ b/tests/pytest/test_descriptor_identifier/test_model.py
@@ -21,12 +21,12 @@ def test_model():
assert np.all(np.abs(model.train_error - (model.fit - model.prop_train)) < 1e-12)
assert np.all(np.abs(model.test_error - (model.predict - model.prop_test)) < 1e-12)
- assert model.feats[0].postfix_expr == "1|0|div|0|div"
+ assert model.feats[0].postfix_expr == "1|0|sq|div"
assert model.feats[1].postfix_expr == "2"
actual_coefs = [
- [-7.215479313269452e00, 8.227180000000008e01, 3.141589999289981e0],
- [9.914521078639838e01, -1.423659000000000e02, -5.254859999998278e00],
+ [-7.215479542045696e0, 8.227180000000007e1, 3.141589999622815e0],
+ [9.914521341156421e1, -1.423659000000001e2, -5.254860000136937e0],
]
assert np.all(
[
diff --git a/tests/test_descriptor_identifier/test_regressor.py b/tests/pytest/test_descriptor_identifier/test_regressor.py
similarity index 98%
rename from tests/test_descriptor_identifier/test_regressor.py
rename to tests/pytest/test_descriptor_identifier/test_regressor.py
index 9b13f8a7..662aa945 100644
--- a/tests/test_descriptor_identifier/test_regressor.py
+++ b/tests/pytest/test_descriptor_identifier/test_regressor.py
@@ -40,6 +40,7 @@ def test_sisso_regressor():
sisso = SISSORegressor(
feat_space,
+ "prop",
Unit("m"),
prop,
prop_test,
diff --git a/tests/test_feature_creation/test_feat_generation/test_abs_diff_node.py b/tests/pytest/test_feature_creation/test_feat_generation/test_abs_diff_node.py
similarity index 100%
rename from tests/test_feature_creation/test_feat_generation/test_abs_diff_node.py
rename to tests/pytest/test_feature_creation/test_feat_generation/test_abs_diff_node.py
diff --git a/tests/test_feature_creation/test_feat_generation/test_abs_node.py b/tests/pytest/test_feature_creation/test_feat_generation/test_abs_node.py
similarity index 100%
rename from tests/test_feature_creation/test_feat_generation/test_abs_node.py
rename to tests/pytest/test_feature_creation/test_feat_generation/test_abs_node.py
diff --git a/tests/test_feature_creation/test_feat_generation/test_add_node.py b/tests/pytest/test_feature_creation/test_feat_generation/test_add_node.py
similarity index 100%
rename from tests/test_feature_creation/test_feat_generation/test_add_node.py
rename to tests/pytest/test_feature_creation/test_feat_generation/test_add_node.py
diff --git a/tests/test_feature_creation/test_feat_generation/test_cb_node.py b/tests/pytest/test_feature_creation/test_feat_generation/test_cb_node.py
similarity index 100%
rename from tests/test_feature_creation/test_feat_generation/test_cb_node.py
rename to tests/pytest/test_feature_creation/test_feat_generation/test_cb_node.py
diff --git a/tests/test_feature_creation/test_feat_generation/test_cbrt_node.py b/tests/pytest/test_feature_creation/test_feat_generation/test_cbrt_node.py
similarity index 100%
rename from tests/test_feature_creation/test_feat_generation/test_cbrt_node.py
rename to tests/pytest/test_feature_creation/test_feat_generation/test_cbrt_node.py
diff --git a/tests/test_feature_creation/test_feat_generation/test_cos_node.py b/tests/pytest/test_feature_creation/test_feat_generation/test_cos_node.py
similarity index 100%
rename from tests/test_feature_creation/test_feat_generation/test_cos_node.py
rename to tests/pytest/test_feature_creation/test_feat_generation/test_cos_node.py
diff --git a/tests/test_feature_creation/test_feat_generation/test_div_node.py b/tests/pytest/test_feature_creation/test_feat_generation/test_div_node.py
similarity index 100%
rename from tests/test_feature_creation/test_feat_generation/test_div_node.py
rename to tests/pytest/test_feature_creation/test_feat_generation/test_div_node.py
diff --git a/tests/test_feature_creation/test_feat_generation/test_exp_node.py b/tests/pytest/test_feature_creation/test_feat_generation/test_exp_node.py
similarity index 100%
rename from tests/test_feature_creation/test_feat_generation/test_exp_node.py
rename to tests/pytest/test_feature_creation/test_feat_generation/test_exp_node.py
diff --git a/tests/test_feature_creation/test_feat_generation/test_inv_node.py b/tests/pytest/test_feature_creation/test_feat_generation/test_inv_node.py
similarity index 100%
rename from tests/test_feature_creation/test_feat_generation/test_inv_node.py
rename to tests/pytest/test_feature_creation/test_feat_generation/test_inv_node.py
diff --git a/tests/test_feature_creation/test_feat_generation/test_log_node.py b/tests/pytest/test_feature_creation/test_feat_generation/test_log_node.py
similarity index 100%
rename from tests/test_feature_creation/test_feat_generation/test_log_node.py
rename to tests/pytest/test_feature_creation/test_feat_generation/test_log_node.py
diff --git a/tests/test_feature_creation/test_feat_generation/test_mult_node.py b/tests/pytest/test_feature_creation/test_feat_generation/test_mult_node.py
similarity index 100%
rename from tests/test_feature_creation/test_feat_generation/test_mult_node.py
rename to tests/pytest/test_feature_creation/test_feat_generation/test_mult_node.py
diff --git a/tests/test_feature_creation/test_feat_generation/test_neg_exp_node.py b/tests/pytest/test_feature_creation/test_feat_generation/test_neg_exp_node.py
similarity index 100%
rename from tests/test_feature_creation/test_feat_generation/test_neg_exp_node.py
rename to tests/pytest/test_feature_creation/test_feat_generation/test_neg_exp_node.py
diff --git a/tests/test_feature_creation/test_feat_generation/test_sin_node.py b/tests/pytest/test_feature_creation/test_feat_generation/test_sin_node.py
similarity index 100%
rename from tests/test_feature_creation/test_feat_generation/test_sin_node.py
rename to tests/pytest/test_feature_creation/test_feat_generation/test_sin_node.py
diff --git a/tests/test_feature_creation/test_feat_generation/test_six_pow_node.py b/tests/pytest/test_feature_creation/test_feat_generation/test_six_pow_node.py
similarity index 100%
rename from tests/test_feature_creation/test_feat_generation/test_six_pow_node.py
rename to tests/pytest/test_feature_creation/test_feat_generation/test_six_pow_node.py
diff --git a/tests/test_feature_creation/test_feat_generation/test_sq_node.py b/tests/pytest/test_feature_creation/test_feat_generation/test_sq_node.py
similarity index 100%
rename from tests/test_feature_creation/test_feat_generation/test_sq_node.py
rename to tests/pytest/test_feature_creation/test_feat_generation/test_sq_node.py
diff --git a/tests/test_feature_creation/test_feat_generation/test_sqrt_node.py b/tests/pytest/test_feature_creation/test_feat_generation/test_sqrt_node.py
similarity index 100%
rename from tests/test_feature_creation/test_feat_generation/test_sqrt_node.py
rename to tests/pytest/test_feature_creation/test_feat_generation/test_sqrt_node.py
diff --git a/tests/test_feature_creation/test_feat_generation/test_sub_node.py b/tests/pytest/test_feature_creation/test_feat_generation/test_sub_node.py
similarity index 100%
rename from tests/test_feature_creation/test_feat_generation/test_sub_node.py
rename to tests/pytest/test_feature_creation/test_feat_generation/test_sub_node.py
diff --git a/tests/test_feature_creation/test_feature_space/test_feature_space.py b/tests/pytest/test_feature_creation/test_feature_space/test_feature_space.py
similarity index 100%
rename from tests/test_feature_creation/test_feature_space/test_feature_space.py
rename to tests/pytest/test_feature_creation/test_feature_space/test_feature_space.py
diff --git a/tests/test_feature_creation/test_feature_space/test_units.py b/tests/pytest/test_feature_creation/test_feature_space/test_units.py
similarity index 100%
rename from tests/test_feature_creation/test_feature_space/test_units.py
rename to tests/pytest/test_feature_creation/test_feature_space/test_units.py
diff --git a/tests/test_sisso.py b/tests/pytest/test_sisso.py
similarity index 100%
rename from tests/test_sisso.py
rename to tests/pytest/test_sisso.py
diff --git a/tests/sisso.json b/tests/sisso.json
deleted file mode 100644
index 830a1079..00000000
--- a/tests/sisso.json
+++ /dev/null
@@ -1,15 +0,0 @@
-{
- "desc_dim": 2,
- "n_sis_select": 10,
- "max_rung": 2,
- "n_residual": 1,
- "data_file": "data.csv",
- "property_key": "Prop",
- "task_key": "Task",
- "leave_out_frac": 0.2,
- "n_rung_generate": 0,
- "n_models_store": 10,
- "leave_out_inds": [],
- "fix_intercept": false,
- "opset": ["add", "sub", "mult", "div", "exp", "inv", "sq", "cb", "sqrt", "cbrt", "abs_diff"]
-}
diff --git a/tests/test_descriptor_identifier/model_files/test.dat b/tests/test_descriptor_identifier/model_files/test.dat
deleted file mode 100644
index 5c328f39..00000000
--- a/tests/test_descriptor_identifier/model_files/test.dat
+++ /dev/null
@@ -1,36 +0,0 @@
-# c0 + a0 * [([(B) / (A)]) / (A)] + a1 * C
-# RMSE: 2.40529777281224e-09; Max AE: 1.02445483207703e-08
-# Coefficients
-# Task; a0 a1 c0
-# 0, -7.215479313269452e+00, 8.227180000000008e+01, 3.141589999289981e+00,
-# 1, 9.914521078639838e+01, -1.423659000000000e+02, -5.254859999998278e+00,
-# Feature Rung, Units, and Expressions
-# 0, 2, 1 / m^2 * s, 1|0|div|0|div,[([(B) / (A)]) / (A)]
-# 1, 0, , 2,C
-# Number of Samples Per Task
-# Task; n_mats_test
-# 0, 12
-# 1, 8
-# Test Indexes: [ 2, 4, 8, 11, 16, 32, 40, 42, 47, 50, 51, 57, 62, 64, 68, 71, 84, 86, 88, 93 ]
-
-#Property Value Property Value (EST) Feature 0 Value Feature 1 Value
- 5.945479900349240e+05, 5.945479900349235e+05, 7.732840323401594e-08, 7.226593418953780e+03
- 2.132341513916110e+06, 2.132341513916109e+06, 2.065168448030928e-08, 2.591821708442330e+04
- 2.030615002138700e+06, 2.030615002138702e+06, 2.033750916695687e-08, 2.468174830924870e+04
--2.374423038913250e+05, -2.374423038913259e+05, 9.522984388019029e-08, -2.886109766416170e+03
- 6.432185312889291e+05, 6.432185312889281e+05, 2.623773234135730e-08, 7.818175726058230e+03
- 1.435243993088210e+06, 1.435243993088208e+06, 3.530173492054727e-08, 1.744511304600680e+04
- 9.487534028084230e+04, 9.487534028084150e+04, 6.018658340475335e-07, 1.153155743464770e+03
- 6.736173787551570e+05, 6.736173787551571e+05, 9.033100765464530e-08, 8.187668644247590e+03
- 7.504118855811940e+05, 7.504118855811938e+05, 2.948893254754258e-08, 9.121093059728930e+03
- 4.478266872045060e+05, 4.478266872045055e+05, 3.922258820073917e-06, 5.443220467314520e+03
- 3.368902807230350e+05, 3.368902807230345e+05, 3.974555365702647e-08, 4.094806958560790e+03
- 1.550858369653510e+06, 1.550858369653510e+06, 1.829091447530946e-08, 1.885038650015730e+04
--9.149156549019570e+05, -9.149156549019564e+05, 1.052237002617895e-07, 6.426471507941080e+03
--5.569920711895199e+05, -5.569920711895204e+05, 3.136787828168589e-08, 3.912361150617040e+03
--2.235342648617320e+06, -2.235342648617310e+06, 2.123583872053065e-06, 1.570135400378780e+04
--9.888966566957420e+04, -9.888966566957417e+04, 2.468066756691430e-08, 6.945793256111270e+02
--9.640203794275450e+05, -9.640203794275458e+05, 9.425436737159603e-07, 6.771390653667730e+03
--8.906491793373150e+05, -8.906491793373151e+05, 7.320119248823469e-08, 6.256020047529450e+03
--7.494023253802230e+05, -7.494023253802236e+05, 1.997001442624077e-08, 5.263880399184100e+03
--1.588621543140250e+06, -1.588621543140249e+06, 1.563477342062043e-08, 1.115868538942120e+04
diff --git a/tests/test_descriptor_identifier/model_files/train.dat b/tests/test_descriptor_identifier/model_files/train.dat
deleted file mode 100644
index 88812c21..00000000
--- a/tests/test_descriptor_identifier/model_files/train.dat
+++ /dev/null
@@ -1,95 +0,0 @@
-# c0 + a0 * [([(B) / (A)]) / (A)] + a1 * C
-# RMSE: 2.85813215504592e-09; Max AE: 7.91624188423157e-09
-# Coefficients
-# Task; a0 a1 c0
-# 0, -7.215479313269452e+00, 8.227180000000008e+01, 3.141589999289981e+00,
-# 1, 9.914521078639838e+01, -1.423659000000000e+02, -5.254859999998278e+00,
-# Feature Rung, Units, and Expressions
-# 0, 2, 1 / m^2 * s, 1|0|div|0|div,[([(B) / (A)]) / (A)]
-# 1, 0, , 2,C
-# Number of Samples Per Task
-# Task; n_mats_train
-# 0, 48
-# 1, 32
-
-#Property Value Property Value (EST) Feature 0 Value Feature 1 Value
- 1.031303343104370e+06, 1.031303343104372e+06, 5.087963053254981e-08, 1.253528185252710e+04
- 2.071791819726890e+05, 2.071791819726894e+05, 6.929206698600503e-07, 2.518190198679130e+03
- 1.431871750857350e+06, 1.431871750857357e+06, 2.697060006837512e-06, 1.740412400466280e+04
- 1.849456859032140e+06, 1.849456859032137e+06, 1.626134513838345e-08, 2.247980131031840e+04
- 4.163774736839510e+05, 4.163774736839510e+05, 2.378687110561754e-08, 5.060960524677020e+03
- 1.834852243834940e+06, 1.834852243834940e+06, 2.057971012989485e-03, 2.230228483021140e+04
- 4.182049069917290e+05, 4.182049069917285e+05, 5.342688466073691e-08, 5.083172671585090e+03
- 1.600764653367910e+06, 1.600764653367909e+06, 1.574249399443082e-07, 1.945698905067160e+04
- 3.895694030199360e+05, 3.895694030199358e+05, 2.998984401431883e-07, 4.735112899342180e+03
- 1.097874595585220e+06, 1.097874595585217e+06, 8.407905381849565e-08, 1.334444431744320e+04
- 8.965124261335440e+05, 8.965124261335423e+05, 6.976681145109002e-08, 1.089692074980790e+04
- 1.247533441655420e+04, 1.247533441655352e+04, 4.240950437796523e-07, 1.515974225629470e+02
- 8.880982463097370e+05, 8.880982463097401e+05, 5.111909378807165e-08, 1.079464779815330e+04
- 1.636015660236120e+06, 1.636015660236114e+06, 1.749950739140699e-05, 1.988545915820950e+04
- 1.523022284718580e+06, 1.523022284718574e+06, 7.444571741652756e-09, 1.851204353288280e+04
--1.806691656141680e+04, -1.806691656141755e+04, 5.124135740795190e-09, -2.196385414124870e+02
- 7.535749948523890e+05, 7.535749948523891e+05, 2.530373185333834e-04, 9.159540147270080e+03
- 4.846796705070550e+05, 4.846796705070552e+05, 1.516116594933527e-08, 5.891162329220520e+03
- 1.418886295186410e+06, 1.418886295186410e+06, 5.602337173621954e-08, 1.724628795768190e+04
- 7.468643665926130e+05, 7.468643665926136e+05, 7.350449259326487e-08, 9.077973558414231e+03
- 8.266764695919290e+05, 8.266764695919300e+05, 1.227812638317768e-08, 1.004807635182430e+04
- 9.048709052557090e+05, 9.048709052557108e+05, 9.684184878175625e-06, 1.099851666957070e+04
- 1.081673040470480e+06, 1.081673040470486e+06, 3.095754649186858e-08, 1.314751711863250e+04
- 1.602766311029420e+06, 1.602766311029422e+06, 1.942687305315588e-07, 1.948131886552650e+04
- 8.482960813663350e+05, 8.482960813663341e+05, 1.994254893455140e-07, 1.031085912521390e+04
- 8.819870504835790e+05, 8.819870504835779e+05, 5.815040616166881e-08, 1.072036723268480e+04
- 1.384967839241260e+06, 1.384967839241261e+06, 4.585957732720945e-08, 1.683401478576610e+04
- 1.482822441554200e+06, 1.482822441554193e+06, 2.365805697619391e-08, 1.802342114751790e+04
- 1.159462504579730e+06, 1.159462504579731e+06, 3.955375090312369e-09, 1.409303507386200e+04
- 1.385445915520980e+06, 1.385445915520977e+06, 7.215270937489370e-09, 1.683982572316430e+04
- 1.078840903789160e+06, 1.078840903789154e+06, 7.719292312078010e-08, 1.311309296988410e+04
- 3.220723182574270e+05, 3.220723182574273e+05, 6.725877658255970e-08, 3.914697097522030e+03
- 1.547503571926120e+06, 1.547503571926123e+06, 3.349707138495565e-07, 1.880960949363620e+04
- 1.174714507507300e+06, 1.174714507507300e+06, 4.195999687630714e-08, 1.427842062429170e+04
- 3.621603641205080e+05, 3.621603641205073e+05, 3.428967326845969e-09, 4.401960605341470e+03
- 8.823510522257930e+05, 8.823510522257955e+05, 3.039762576167721e-08, 1.072479161311670e+04
- 2.240093900663180e+04, 2.240093900663106e+04, 2.331427770314304e-07, 2.722414900161900e+02
- 1.781136797772570e+06, 1.781136797772572e+06, 7.253817683831682e-08, 2.164938236653500e+04
- 6.214166082804410e+05, 6.214166082804406e+05, 6.796324227463879e-08, 7.553176990061370e+03
- 1.525062498013260e+06, 1.525062498013265e+06, 4.374201765323614e-08, 1.853684198502500e+04
- 6.790682085352920e+05, 6.790682085352915e+05, 3.117208882706876e-08, 8.253922570619779e+03
- 4.680791492170390e+05, 4.680791492170391e+05, 7.178175366749161e-09, 5.689385763130150e+03
- 1.404060535190450e+06, 1.404060535190449e+06, 3.310728859521714e-07, 1.706608331898460e+04
- 1.827150953904310e+06, 1.827150953904310e+06, 5.763294101941985e-08, 2.220867675576230e+04
--3.339445722172610e+04, -3.339445722172679e+04, 1.705876199821157e-07, -4.059422403605510e+02
- 1.443453595965310e+06, 1.443453595965309e+06, 3.511555629631250e-08, 1.754489939901110e+04
- 3.296237786603260e+05, 3.296237786603257e+05, 9.525996048208856e-07, 4.006483838656740e+03
- 5.963622714767930e+05, 5.963622714767933e+05, 1.373023008233051e-06, 7.248645707237480e+03
--1.747903770607640e+06, -1.747903770607635e+06, 3.089720438913970e-07, 1.227750827816400e+04
--6.020310027164250e+05, -6.020310027164243e+05, 7.913240374082342e-08, 4.228721539808830e+03
--1.293976980851750e+06, -1.293976980851751e+06, 1.242384899016401e-08, 9.089056620953350e+03
--2.294033396379730e+06, -2.294033396379731e+06, 2.185232400397477e-08, 1.611360685053020e+04
--1.213629166754780e+06, -1.213629166754776e+06, 2.705431178856616e-08, 8.524681204540260e+03
- 2.928090050997690e+05, 2.928090050997689e+05, 3.294636654535805e-08, -2.056772443095590e+03
--3.732932410426960e+06, -3.732932410426955e+06, 1.584814746579403e-08, 2.622065505551910e+04
--2.522104747768270e+05, -2.522104747768271e+05, 2.866436191254619e-07, 1.771528293961170e+03
--1.370204376681970e+06, -1.370204376681969e+06, 7.268458266839257e-08, 9.624489585140651e+03
--3.104420517264010e+06, -3.104420517264016e+06, 4.422776414490086e-08, 2.180589075339250e+04
--2.388277988221880e+06, -2.388277988221886e+06, 7.983548813793096e-07, 1.677559537389950e+04
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--1.794477913928580e+06, -1.794477913928583e+06, 2.085418494861554e-06, 1.260465223255950e+04
--2.232131158999780e+05, -2.232131158999779e+05, 4.613095030252133e-08, 1.567846380661040e+03
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--2.409342601537700e+06, -2.409342601537696e+06, 3.854824353113469e-08, 1.692355646037090e+04
--7.428145854664950e+05, -7.428145854664948e+05, 8.907502601228917e-09, 5.217607099785680e+03
--5.715794306470060e+05, -5.715794306470063e+05, 4.249579387725456e-08, 4.014825009298010e+03
--2.195610268663400e+06, -2.195610268663392e+06, 1.508229600050627e-09, 1.542226764838730e+04
--2.102214669944520e+06, -2.102214669944520e+06, 2.461775162911713e-05, 1.476624260110920e+04
--2.207063832186290e+06, -2.207063832186286e+06, 1.440749268450898e-07, 1.550271924204160e+04
--2.494089085594850e+06, -2.494089085594850e+06, 7.881977896794234e-04, 1.751882936068880e+04
--7.584800943859300e+05, -7.584800943859298e+05, 4.795308237612606e-08, 5.327644046296790e+03
--2.025827981910110e+06, -2.025827981910112e+06, 5.949481923044429e-06, 1.422969073099650e+04
--2.354065357355290e+06, -2.354065357355289e+06, 1.863267201710832e-08, 1.653528058683390e+04
--3.175419951886790e+06, -3.175419951886786e+06, 1.516968856813277e-08, 2.230460171310890e+04
--2.152215923304610e+06, -2.152215923304608e+06, 3.558510316535865e-10, 1.511745908567040e+04
--5.471576306240950e+05, -5.471576306240940e+05, 2.732675013220533e-05, 3.843282545001370e+03
--2.672876703571220e+06, -2.672876703571216e+06, 9.276119341407247e-09, 1.877466056627420e+04
--2.080211959730500e+06, -2.080211959730499e+06, 5.366932486308832e-08, 1.461169215996120e+04
--2.578377052468330e+06, -2.578377052468331e+06, 1.245275388419069e-05, 1.811088047659560e+04
--
GitLab