diff --git a/src/classification/ConvexHull1D.cpp b/src/classification/ConvexHull1D.cpp index 49c8c1a64989bd7c3c5cb9efee3803915ebb13c5..67623e00dc6467fcf2c6f13d4a68813e2cce5746 100644 --- a/src/classification/ConvexHull1D.cpp +++ b/src/classification/ConvexHull1D.cpp @@ -32,30 +32,27 @@ ConvexHull1D::ConvexHull1D() : _n_class(0) {} -ConvexHull1D::ConvexHull1D(std::vector<int> sizes, const double* prop) : - _sorted_value(std::accumulate(sizes.begin(), sizes.end(), 0), 0.0), +ConvexHull1D::ConvexHull1D(std::vector<int> task_sizes, const double* prop) : + _sorted_value(std::accumulate(task_sizes.begin(), task_sizes.end(), 0), 0.0), _cls_max(), _cls_min(), - _sorted_prop_inds(std::accumulate(sizes.begin(), sizes.end(), 0), 0), + _sorted_prop_inds(std::accumulate(task_sizes.begin(), task_sizes.end(), 0), 0), _cls_start(), _cls_sz(), - _n_task(sizes.size()), + _n_task(task_sizes.size()), _n_class(0) { - initialize_prop(sizes, prop); + initialize_prop(task_sizes, prop); } -void ConvexHull1D::initialize_prop(std::vector<int> sizes, const double* prop) +void ConvexHull1D::initialize_prop(std::vector<int> task_sizes, const double* prop) { // Set the number of tasks and samples - _n_task = sizes.size(); + _n_task = task_sizes.size(); _task_scores.resize(_n_task, 0.0); - int n_samp = std::accumulate(sizes.begin(), sizes.end(), 0); + int n_samp = std::accumulate(task_sizes.begin(), task_sizes.end(), 0); // Set number of classes - - - std::vector<double> unique_prop_vals; for(int pp = 0; pp < n_samp; ++pp) { @@ -74,6 +71,9 @@ void ConvexHull1D::initialize_prop(std::vector<int> sizes, const double* prop) _cls_sz.resize(_n_class * _n_task, 0); _cls_start.resize(_n_class * _n_task, 0); + std::fill_n(_cls_sz.data(), _cls_sz.size(), 0); + std::fill_n(_cls_start.data(), _cls_start.size(), 0); + // Set the values of the cls vectors and sorted inds _sorted_value.resize(n_samp, 0.0); _sorted_prop_inds.resize(n_samp, 0); @@ -87,15 +87,15 @@ void ConvexHull1D::initialize_prop(std::vector<int> sizes, const double* prop) int start = 0; - for(int tt = 0; tt < sizes.size(); ++tt) + for(int tt = 0; tt < task_sizes.size(); ++tt) { util_funcs::argsort<double>( _sorted_prop_inds.data() + start, - _sorted_prop_inds.data() + start + sizes[tt], + _sorted_prop_inds.data() + start + task_sizes[tt], prop ); - for(int ind = start; ind < start + sizes[tt]; ++ind) + for(int ind = start; ind < start + task_sizes[tt]; ++ind) { ++_cls_sz[tt * _n_class + cl_ind[prop[ind]]]; } @@ -143,7 +143,9 @@ double ConvexHull1D::overlap_1d(double* value, double width) for(int c1 = 0; c1 < _n_class; ++c1) { if(_cls_sz[tt * _n_class + c1] == 0) + { continue; + } double min = _cls_min[tt * _n_class + c1]; double max = _cls_max[tt * _n_class + c1]; diff --git a/src/classification/ConvexHull1D.hpp b/src/classification/ConvexHull1D.hpp index d72b4f37606e704024d021b47aed3c936c3f28bc..7069dce107bf1dfdd490c0b27977e30b88af8064 100644 --- a/src/classification/ConvexHull1D.hpp +++ b/src/classification/ConvexHull1D.hpp @@ -51,10 +51,10 @@ public: /** * @brief Constructor * - * @param sizes The size of each task + * @param task_sizes The size of each task * @param prop The pointer to the property vector */ - ConvexHull1D(std::vector<int> sizes, const double* prop); + ConvexHull1D(std::vector<int> task_sizes, const double* prop); /** * @brief Default constructor @@ -64,10 +64,10 @@ public: /** * @brief Initialize the projection objects * - * @param sizes The size of each task + * @param task_sizes The size of each task * @param prop The pointer to the property vector */ - void initialize_prop(std::vector<int> sizes, const double* prop); + void initialize_prop(std::vector<int> task_sizes, const double* prop); /** * @brief Calculate the projection scores of a set of features to a vector via Pearson correlation diff --git a/src/classification/SVMWrapper.cpp b/src/classification/SVMWrapper.cpp index f947de1c646b6c8f486f83cb1d9769b209322ee0..c7adb537e09a529a6a2c30ef0f8b4b54ab616221 100644 --- a/src/classification/SVMWrapper.cpp +++ b/src/classification/SVMWrapper.cpp @@ -22,27 +22,8 @@ #include "classification/SVMWrapper.hpp" SVMWrapper::SVMWrapper(const int n_class, const int n_dim, const int n_samp, const double* prop) : - _model(nullptr), - _y(prop, prop + n_samp), - _y_est(n_samp), - _x_space(n_samp * (n_dim + 1)), - _x(n_samp), - _coefs(n_class * (n_class - 1) / 2, std::vector<double>(n_dim, 0.0)), - _C(1000.0), - _intercept(n_class * (n_class - 1) / 2, 0.0), - _w_remap(n_dim, 1.0), - _b_remap(n_dim, 0.0), - _n_dim(n_dim), - _n_samp(n_samp), - _n_class(n_class) -{ - setup_parameter_obj(_C); - setup_x_space(); - - _prob.l = _n_samp; - _prob.y = _y.data(); - _prob.x = _x.data(); -} + SVMWrapper(1000.0, n_class, n_dim, n_samp, prop) +{} SVMWrapper::SVMWrapper(const int n_class, const int n_dim, const std::vector<double> prop) : SVMWrapper(n_class, n_dim, prop.size(), prop.data()) @@ -63,6 +44,14 @@ SVMWrapper::SVMWrapper(const double C, const int n_class, const int n_dim, const _n_samp(n_samp), _n_class(n_class) { + std::vector<double> unique_prop_vals = vector_utils::unique(_y); + std::map<double, double> rep_map; + for(int cc = 0; cc < _n_class; ++cc) + { + _map_prop_vals[static_cast<double>(cc)] = unique_prop_vals[cc]; + rep_map[unique_prop_vals[cc]] = static_cast<double>(cc); + } + std::transform(_y.begin(), _y.end(), _y.begin(), [&](double val){return rep_map[val];}); setup_parameter_obj(_C); setup_x_space(); @@ -210,7 +199,10 @@ void SVMWrapper::train(const bool remap_coefs) std::transform(_x.begin(), _x.end(), _y_est.begin(), [this](svm_node* sn){return svm_predict(_model, sn);}); _n_misclassified = 0; for(int ss = 0; ss < _n_samp; ++ss) + { _n_misclassified += _y[ss] != _y_est[ss]; + } + std::transform(_y_est.begin(), _y_est.end(), _y_est.begin(), [this](double val){return _map_prop_vals[val];}); } void SVMWrapper::train(const std::vector<int> inds, const int task, const bool remap_coefs) @@ -251,6 +243,6 @@ std::vector<double> SVMWrapper::predict(const int n_samp_test, const std::vector x_test[ss] = &x_space_test[ss * (val_ptrs.size() + 1)]; } std::transform(x_test.begin(), x_test.end(), y_est_test.begin(), [this](svm_node* sn){return svm_predict(_model, sn);}); - + std::transform(y_est_test.begin(), y_est_test.end(), y_est_test.begin(), [this](double val){return _map_prop_vals[val];}); return y_est_test; } diff --git a/src/classification/SVMWrapper.hpp b/src/classification/SVMWrapper.hpp index b616a44876ec3856852573c59091129b62ba3804..8f412797b51625c2d954182fe192e0025162c150 100644 --- a/src/classification/SVMWrapper.hpp +++ b/src/classification/SVMWrapper.hpp @@ -22,11 +22,13 @@ #ifndef LIBSVM_WRAPPER #define LIBSVM_WRAPPER +#include <map> #include <algorithm> #include <iostream> #include "external/libsvm/svm.h" #include "feature_creation/node/value_storage/nodes_value_containers.hpp" +#include "utils/vector_utils.hpp" // DocString: cls_svm_wrapper /** @@ -50,6 +52,7 @@ protected: std::vector<double> _w_remap; //!< Prefactors to convert the data to/from the preferred SVM range (0 to 1) std::vector<double> _b_remap; //!< Prefactors to map the minimum of the features to 0.0 + std::map<double, double> _map_prop_vals; //!< Map of the property values to the values used for SVM const double _C; //!< The C parameter for the SVM calculation const int _n_dim; //!< The number of dimensions for the SVM problem diff --git a/src/descriptor_identifier/model/ModelClassifier.cpp b/src/descriptor_identifier/model/ModelClassifier.cpp index 2b6a1459a7a53b0817174ad866d62741bf47c2ca..6876a4c2bf4189e25fa5d30bc2ade1ea7a3ecfc4 100644 --- a/src/descriptor_identifier/model/ModelClassifier.cpp +++ b/src/descriptor_identifier/model/ModelClassifier.cpp @@ -220,8 +220,8 @@ std::string ModelClassifier::write_coefs() const { std::stringstream coef_head_stream; coef_head_stream << "# Decision Boundaries" << std::endl; - int n_db = _n_class * (_n_class - 1) / 2; - int task_header_w = 1 + static_cast<int>(std::floor(std::log10(n_db))) + std::max( + int n_db = _loss->n_class() * (_loss->n_class() - 1) / 2; + int task_header_w = 2 + static_cast<int>(std::floor(std::log10(_n_class))) * 3 + std::max( 6, static_cast<int>(std::max_element(_task_names.begin(), _task_names.end(), [](std::string s1, std::string s2){return s1.size() <= s2.size();})->size()) ); @@ -233,16 +233,19 @@ std::string ModelClassifier::write_coefs() const } coef_head_stream << " b" << std::endl; + int start_coefs = 0; for(int tt = 0; tt < _task_names.size(); ++tt) { + n_db = _loss->n_class(tt) * (_loss->n_class(tt) - 1) / 2; for(int db = 0; db < n_db; ++db) { - coef_head_stream << std::setw(task_header_w) << std::left << "# " + _task_names[tt] + "_" + std::to_string(db) << std::setw(2) << ", "; - for(auto& coeff : _coefs[tt * n_db + db]) + coef_head_stream << std::setw(task_header_w) << std::left << "# " + _task_names[tt] + "_" + _loss->coef_labels()[start_coefs] << std::setw(2) << ", "; + for(auto& coeff : _coefs[start_coefs]) { coef_head_stream << std::setprecision(15) << std::scientific << std::right << std::setw(22) << coeff << std::setw(2) << ", "; } coef_head_stream << "\n"; + ++start_coefs; } } return coef_head_stream.str(); diff --git a/src/descriptor_identifier/solver/SISSOClassifier.cpp b/src/descriptor_identifier/solver/SISSOClassifier.cpp index 589d068f4cb90b781842b82b8afe6bd6f20f063a..2c17f4d015ef94fb5578a247cf8969c18744f579 100644 --- a/src/descriptor_identifier/solver/SISSOClassifier.cpp +++ b/src/descriptor_identifier/solver/SISSOClassifier.cpp @@ -45,7 +45,7 @@ void SISSOClassifier::setup_d_mat_transfer() std::vector<int> inds(_task_sizes_train[tt]); std::iota(inds.begin(), inds.end(), task_start); - util_funcs::argsort<double>(inds.data(), inds.data() + inds.size(), _loss->prop_pointer() + task_start); + util_funcs::argsort<double>(inds.data(), inds.data() + inds.size(), _loss->prop_pointer()); _sample_inds_to_sorted_dmat_inds[inds[0]] = task_start; int cls_start = 0; @@ -70,7 +70,7 @@ std::array<double, 2> SISSOClassifier::svm_error(std::vector<SVMWrapper>& svm, c dist_error += 1.0 / util_funcs::norm(coefs.data(), feat_inds.size()); } } - dist_error /= static_cast<double>(_n_task * svm[0].n_class()); + dist_error /= static_cast<double>(_n_task * _n_class); return {error, dist_error}; } @@ -85,8 +85,7 @@ int SISSOClassifier::get_max_error_ind( scores, [this](int n_overlap, double score){return static_cast<double>(n_overlap * _n_samp * _n_class) + score;} ); - - double max_dist = *std::max_element(svm_margin, svm_margin + n_models) + 0.01; + double max_dist = std::abs(*std::max_element(svm_margin, svm_margin + n_models, [](double v1, double v2){return std::abs(v1) < std::abs(v2);})) + 0.01; std::transform( svm_margin, svm_margin + n_models, @@ -121,8 +120,8 @@ void SISSOClassifier::l0_regularization(const int n_dim) std::vector<int> inds(n_dim, 0); std::vector<int> min_inds(n_get_models * n_dim, -1); - std::vector<int> min_n_convex_overlap(n_get_models, std::numeric_limits<int>::max()); - std::vector<double> min_svm_score(n_get_models, std::numeric_limits<double>::max()); + std::vector<int> min_n_convex_overlap(n_get_models, _n_samp * _n_class * _n_class); + std::vector<double> min_svm_score(n_get_models, _n_samp * _n_class * _n_class); std::vector<double> min_svm_margin(n_get_models, -1.0); unsigned long long int n_interactions = 1; @@ -161,17 +160,17 @@ void SISSOClassifier::l0_regularization(const int n_dim) int start = 0; for(int tt = 0; tt < _n_task; ++tt) { - svm_vec.push_back(SVMWrapper(_c, _n_class, _n_dim, _task_sizes_train[tt], loss_copy->prop_pointer() + start)); + svm_vec.push_back(SVMWrapper(_c, _loss->n_class(tt), _n_dim, _task_sizes_train[tt], loss_copy->prop_pointer() + start)); start += _task_sizes_train[tt]; } unsigned long long int ii_prev = 0; -#ifdef OMP45 + #ifdef OMP45 #pragma omp for schedule(monotonic: dynamic) -#else + #else #pragma omp for schedule(dynamic) -#endif + #endif for(unsigned long long int ii = _mpi_comm->rank(); ii < n_interactions; ii += static_cast<unsigned long long int>(_mpi_comm->size())) { util_funcs::iterate(inds, inds.size(), ii - ii_prev); @@ -301,8 +300,13 @@ void SISSOClassifier::l0_regularization(const int n_dim) void SISSOClassifier::fit() { - for(int dd = 1; dd <= _n_dim; ++dd) + int dd = 1; + while( + (dd <= _n_dim) && + (*std::max_element(_loss->prop_project_pointer(), _loss->prop_project_pointer() + _loss->n_prop_project() * _n_samp) > 0.0) + ) { + double start = omp_get_wtime(); _feat_space->sis(_loss); @@ -330,6 +334,11 @@ void SISSOClassifier::fit() } } } + ++dd; + } + if(dd <= _n_dim) + { + std::cerr << "WARNING: All points sperated before reaching the requested dimension." << std::endl; } } diff --git a/src/loss_function/LossFunction.hpp b/src/loss_function/LossFunction.hpp index 198acd015401a2398f331e62cf2854eacc4e22dc..dcee589bc5854bd37af14b5242557236103367b2 100644 --- a/src/loss_function/LossFunction.hpp +++ b/src/loss_function/LossFunction.hpp @@ -309,6 +309,11 @@ public: */ inline int n_task() const {return _n_task;} + /** + * @brief Number of properties to project over + */ + inline int n_prop_project(){return _n_project_prop;} + /** * @brief Set the number of features and linear model constants to those for the new n_feat * @@ -317,9 +322,26 @@ public: virtual inline void set_nfeat(int n_feat){_n_feat = n_feat; _n_dim = n_feat + (!_fix_intercept);} /** - * @brief The number of classes in the calculation + * @brief Number of classes in the property + */ + virtual inline std::vector<int> n_class_per_task() const {return {};} + + /** + * @brief The number of classes in the calculation for a given task + * + * @param task_num The task to get the number of classes for + */ + virtual inline int n_class(int task_num) const {return 0;} + + /** + * @brief The maximum number of classes in the calculation + */ + virtual inline int n_class() const {return 0;} + + /** + * @brief The labels for each set of coefficients */ - virtual inline int n_class(){return 0;} + virtual inline std::vector<std::string> coef_labels() const {return {};} }; #endif diff --git a/src/loss_function/LossFunctionConvexHull.cpp b/src/loss_function/LossFunctionConvexHull.cpp index 9ffd4addc994a9404f079c834078ba9d9970a3ae..e87f928c0df97991c5ff9e6ab7f89a078124d672 100644 --- a/src/loss_function/LossFunctionConvexHull.cpp +++ b/src/loss_function/LossFunctionConvexHull.cpp @@ -30,6 +30,7 @@ LossFunctionConvexHull::LossFunctionConvexHull( ) : LossFunction(prop_train, prop_test, task_sizes_train, task_sizes_test, false, n_feat), _width(1e-5), + _n_class_per_task(task_sizes_train.size(), 0), _n_class(0) { for(auto& pt : prop_test) @@ -40,7 +41,23 @@ LossFunctionConvexHull::LossFunctionConvexHull( } } - std::vector<double> unique_classes = vector_utils::unique<double>(prop_train); + int start = 0.0; + std::vector<double> unique_classes; + for(int tt = 0; tt < _task_sizes_train.size(); ++tt) + { + unique_classes = vector_utils::unique<double>(prop_train.data() + start, _task_sizes_train[tt]); + _n_class_per_task[tt] = unique_classes.size(); + for(int c1 = 0; c1 < unique_classes.size(); ++c1) + { + for(int c2 = c1 + 1; c2 < unique_classes.size(); ++c2) + { + _coef_labels.push_back(fmt::format("_{:.1f}_{:.1f}", unique_classes[c1], unique_classes[c2])); + } + } + start += _task_sizes_train[tt]; + } + + unique_classes = vector_utils::unique<double>(prop_train); std::map<double, double> class_map; _n_class = unique_classes.size(); for(int cc = 0; cc < _n_class; ++cc) @@ -95,6 +112,8 @@ LossFunctionConvexHull::LossFunctionConvexHull( LossFunctionConvexHull::LossFunctionConvexHull(std::shared_ptr<LossFunction> o) : LossFunction(o), _width(1e-5), + _coef_labels(o->coef_labels()), + _n_class_per_task(o->n_class_per_task()), _n_class(o->n_class()) { set_nfeat(_n_feat); @@ -106,7 +125,8 @@ void LossFunctionConvexHull::set_nfeat(int n_feat, bool initialize_sorted_d_mat) _n_feat = n_feat; _n_dim = n_feat + 1; setup_lp(initialize_sorted_d_mat); - _coefs.resize(_n_class * (_n_class - 1) / 2 * _n_dim * _task_sizes_train.size(), 0.0); + int n_class_combos = std::accumulate(_n_class_per_task.begin(), _n_class_per_task.end(), 0, [](int tot, int nc){return tot + nc * (nc - 1) / 2;}); + _coefs.resize(n_class_combos * _n_dim, 0.0); } void LossFunctionConvexHull::prepare_project() @@ -157,60 +177,44 @@ void LossFunctionConvexHull::setup_lp(bool initialize_sorted_d_mat) int task_start_test = 0; _lp = {}; - std::vector<int> n_samp_per_class; - for(int tt = 0; tt < _n_task; ++tt) + std::map<double, int> rep_map; + std::vector<double> unique_classes = vector_utils::unique(_prop_train); + std::sort(unique_classes.begin(), unique_classes.end()); + + for(int uc = 0; uc < unique_classes.size(); ++uc) { - std::map<double, int> rep_class; + rep_map[unique_classes[uc]] = uc; + } + std::vector<int> n_samp_per_class(_n_class * _n_task); + for(int tt = 0; tt < _n_task; ++tt) + { std::vector<int> inds(_task_sizes_train[tt]); std::iota(inds.begin(), inds.end(), task_start); util_funcs::argsort<double>(inds.data(), inds.data() + inds.size(), _prop_train.data()); - int cls_start = 0; - _sample_inds_to_sorted_dmat_inds[inds[0]] = task_start; - rep_class[_prop_train[inds[0]]] = 0; - for(int ii = 1; ii < inds.size(); ++ii) + for(int ii = 0; ii < inds.size(); ++ii) { _sample_inds_to_sorted_dmat_inds[inds[ii]] = ii + task_start; - if(_prop_train[inds[ii]] != _prop_train[inds[ii - 1]]) - { - n_samp_per_class.push_back(ii - cls_start); - rep_class[_prop_train[inds[ii]]] = n_samp_per_class.size(); - cls_start = ii; - } - } - n_samp_per_class.push_back(inds.size() - cls_start); - if(n_samp_per_class.size() != (tt + 1) * _n_class) - { - throw std::logic_error("A class is not represented in task " + std::to_string(tt) + "."); + ++n_samp_per_class[tt * _n_class + rep_map[_prop_train[inds[ii]]]]; } std::vector<int> samp_per_class(_n_class); std::copy_n(n_samp_per_class.begin() + tt * _n_class, _n_class, samp_per_class.begin()); task_start += _task_sizes_train[tt]; - std::vector<int> n_samp_test_per_class(n_samp_per_class.size(), 0); + std::vector<int> samp_test_per_class(samp_per_class.size(), 0); if(_task_sizes_test[tt] > 0) { inds.resize(_task_sizes_test[tt]); std::iota(inds.begin(), inds.end(), task_start_test); - util_funcs::argsort<double>(inds.data(), inds.data() + inds.size(), &_prop_test[task_start_test]); + util_funcs::argsort<double>(inds.data(), inds.data() + inds.size(), _prop_test.data()); - cls_start = 0; - _test_sample_inds_to_sorted_dmat_inds[inds[0]] = task_start_test; - for(int ii = 1; ii < inds.size(); ++ii) + for(int ii = 0; ii < inds.size(); ++ii) { _test_sample_inds_to_sorted_dmat_inds[inds[ii]] = ii + task_start_test; - if(_prop_test[inds[ii]] != _prop_test[inds[ii - 1]]) - { - n_samp_test_per_class[ - rep_class[_prop_test[inds[ii - 1]]] - ] = ii - cls_start; - cls_start = ii; - } + ++samp_test_per_class[rep_map[_prop_test[inds[ii]]]]; } - n_samp_test_per_class[rep_class[_prop_test[inds.back()]]] = inds.size() - cls_start; - task_start_test += _task_sizes_test[tt]; } LPWrapper lp( @@ -220,8 +224,8 @@ void LossFunctionConvexHull::setup_lp(bool initialize_sorted_d_mat) _n_feat, std::accumulate(n_samp_per_class.begin() + tt * _n_class, n_samp_per_class.end(), 0), _width, - n_samp_test_per_class, - std::accumulate(n_samp_test_per_class.begin(), n_samp_test_per_class.end(), 0) + samp_test_per_class, + std::accumulate(samp_test_per_class.begin(), samp_test_per_class.end(), 0) ); _lp.push_back(lp); } @@ -342,9 +346,10 @@ double LossFunctionConvexHull::operator()(const std::vector<model_node_ptr>& fea // Perform SVM to set estimated prop start = 0; start_test = 0; + int start_coefs = 0; for(int tt = 0; tt < _task_sizes_train.size(); ++tt) { - SVMWrapper svm(_n_class, _n_feat, _task_sizes_train[tt], &_prop_train[start]); + SVMWrapper svm(_n_class_per_task[tt], _n_feat, _task_sizes_train[tt], &_prop_train[start]); std::vector<double*> node_val_ptrs(_n_feat); std::vector<double*> node_test_val_ptrs(_n_feat); @@ -352,19 +357,19 @@ double LossFunctionConvexHull::operator()(const std::vector<model_node_ptr>& fea for(int dd = 0; dd < _n_feat; ++dd) { node_val_ptrs[dd] = feats[dd]->value_ptr() + start; - node_test_val_ptrs[dd] = feats[dd]->test_value_ptr() + start; + node_test_val_ptrs[dd] = feats[dd]->test_value_ptr() + start_test; } svm.train(node_val_ptrs); std::vector<std::vector<double>> coefs = svm.coefs(); for(int cc = 0; cc < coefs.size(); ++cc) { - std::copy_n(coefs[cc].data(), coefs[cc].size(), &_coefs[tt * _n_class * (_n_class - 1) / 2 * _n_dim + cc * _n_dim]); - _coefs[tt * _n_class * (_n_class - 1) / 2 * _n_dim + cc * _n_dim + _n_feat] = svm.intercept()[cc]; + std::copy_n(coefs[cc].data(), coefs[cc].size(), &_coefs[start_coefs * _n_dim]); + _coefs[start_coefs * _n_dim + _n_feat] = svm.intercept()[cc]; + ++start_coefs; } - - std::copy_n(svm.y_estimate().begin() + start, _task_sizes_train[tt], _prop_train_est.begin() + start); - std::copy_n(svm.predict(_task_sizes_test[tt], node_test_val_ptrs).begin() + start_test, _task_sizes_test[tt], _prop_test_est.begin() + start_test); + std::copy_n(svm.y_estimate().begin(), _task_sizes_train[tt], _prop_train_est.begin() + start); + std::copy_n(svm.predict(_task_sizes_test[tt], node_test_val_ptrs).begin(), _task_sizes_test[tt], _prop_test_est.begin() + start_test); start += _task_sizes_train[tt]; start_test += _task_sizes_test[tt]; diff --git a/src/loss_function/LossFunctionConvexHull.hpp b/src/loss_function/LossFunctionConvexHull.hpp index 0a0f39446463bc732c5315dc25f520ad59b7a0b5..9178e4c09f1d79c66c313743e8551b893351a6ed 100644 --- a/src/loss_function/LossFunctionConvexHull.hpp +++ b/src/loss_function/LossFunctionConvexHull.hpp @@ -22,6 +22,8 @@ #ifndef LOSS_FUNCTION_CONVEX_HULL #define LOSS_FUNCTION_CONVEX_HULL +#include <fmt/core.h> + #include "classification/ConvexHull1D.hpp" #include "classification/LPWrapper.hpp" #include "classification/SVMWrapper.hpp" @@ -43,9 +45,11 @@ protected: std::vector<double> _scores; //!< The scores for each of the projection properties std::map<int, int> _sample_inds_to_sorted_dmat_inds; //!< map from input sample inds to the SORTED_D_MATRIX_INDS std::map<int, int> _test_sample_inds_to_sorted_dmat_inds; //!< map from input sample inds to the SORTED_D_MATRIX_INDS + std::vector<std::string> _coef_labels; //!< The labels for each set of coefficients + std::vector<int> _n_class_per_task; //!< Number of classes in the property - const double _width; //!< The width used as the tolerance for the LP optimization int _n_class; //!< Number of classes in the property + const double _width; //!< The width used as the tolerance for the LP optimization public: @@ -159,9 +163,26 @@ public: void set_nfeat(int n_feat, bool initialize_sorted_d_mat=false); /** - * @brief The number of classes in the calculation + * @brief The number of classes in the calculation for a given task + * + * @param task_num The task to get the number of classes for + */ + inline int n_class(int task_num) const {return _n_class_per_task[task_num];} + + /** + * @brief The maximum number of classes in the calculation + */ + inline int n_class() const {return _n_class;} + + /** + * @brief The labels for each set of coefficients + */ + inline std::vector<std::string> coef_labels() const {return _coef_labels;} + + /** + * @brief Number of classes in the property */ - inline int n_class(){return _n_class;} + inline std::vector<int> n_class_per_task() const {return _n_class_per_task;} }; #endif diff --git a/src/utils/vector_utils.hpp b/src/utils/vector_utils.hpp index 33a9dd8d6a83d2656e932dbf4e784fc072bcae04..3008d4bfd6042269e826c6673b6cbbec2c482cac 100644 --- a/src/utils/vector_utils.hpp +++ b/src/utils/vector_utils.hpp @@ -48,6 +48,28 @@ std::vector<T> unique(const std::vector<T> in_vec) return out_vec; } + +/** + * @brief Return a vector of all unique elements of in_vec + * + * @param in_vec Pointer to the input vector + * @param sz The size of the vector + * @tparam T The type of elements of T + * @return The vector of unique elements of in_vec + */ +template<typename T> +std::vector<T> unique(const T* in_vec, int sz) +{ + std::vector<T> out_vec; + for(int ii = 0; ii < sz; ++ii) + { + if(std::find(out_vec.begin(), out_vec.end(), in_vec[ii]) == out_vec.end()) + { + out_vec.push_back(in_vec[ii]); + } + } + return out_vec; +} } diff --git a/tests/exec_test/classification/data.csv b/tests/exec_test/classification/data.csv index 3fa9f64bd0b9d2133040ea4849a71789ac8f078a..3de3e29a3d3a8510a21ace99268501120ce46af4 100644 --- a/tests/exec_test/classification/data.csv +++ b/tests/exec_test/classification/data.csv @@ -1,101 +1,101 @@ -index,prop,A,B,C,D,E,F,G,H,I,J -0,1,0.1,-0.3,10,10,-0.492825179098274,0.173025977694162,0.598942935224295,-0.298754475196825,-0.581254909010269,-0.110656494210556 -1,1,-1.89442810374214,-1.31996134398007,0.955713896876243,0.478117201427488,0.777586191100329,0.655369716778557,0.174914171427966,-0.288498877530604,-0.045316536149489,-0.606586193752411 -2,1,-1.47460150711424,-1.22614964523433,0.330140292484796,-0.389505498689912,0.138935265824808,-0.871869282167555,0.37472462048701,0.16418591189513,0.293560701443717,0.285608940220021 -3,1,-1.30213414336735,-1.82621262418812,-0.71381302228685,0.968769585007681,0.683148179202864,0.799125092538796,0.309479173526504,0.728052031003468,0.725495580994886,-0.676576302804248 -4,1,-1.73938632269334,-1.58349866505488,-0.067783417095816,0.229988549891323,0.582427598044647,0.261947149184825,-0.31573435079735,0.61178122144268,-0.187058216967238,0.871764347690334 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a/tests/exec_test/classification/models/.~lock.train_dim_2_model_0.dat# b/tests/exec_test/classification/models/.~lock.train_dim_2_model_0.dat# new file mode 100644 index 0000000000000000000000000000000000000000..be0b4abffd1980b95df2f29de97ad7d98dd38ffd --- /dev/null +++ b/tests/exec_test/classification/models/.~lock.train_dim_2_model_0.dat# @@ -0,0 +1 @@ +,purcell,theobook,03.09.2021 15:57,file:///home/purcell/.config/libreoffice/4; \ No newline at end of file diff --git a/tests/exec_test/classification/sisso.json b/tests/exec_test/classification/sisso.json index 196884b5f3c963281aa753c06501c6fb2bcd8f39..9613bef7bdf1e740abe91993da1d83a91a50209d 100644 --- a/tests/exec_test/classification/sisso.json +++ b/tests/exec_test/classification/sisso.json @@ -1,15 +1,16 @@ { "desc_dim": 2, - "n_sis_select": 5, + "n_sis_select": 10, "max_rung": 1, - "n_residual": 1, + "n_residual": 5, "data_file": "data.csv", "data_file_relatice_to_json": true, "property_key": "prop", + "task_key": "task", 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a/tests/exec_test/classification_gen_proj/sisso.json b/tests/exec_test/classification_gen_proj/sisso.json index 1be640db39dd72bf93ae0d05470b5dd92684e040..aec732c714c45a368333bbf29d599775e4ebaaac 100644 --- a/tests/exec_test/classification_gen_proj/sisso.json +++ b/tests/exec_test/classification_gen_proj/sisso.json @@ -10,7 +10,7 @@ "n_models_store": 1, "n_rung_generate": 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], + "leave_out_inds": [ 2, 3, 4, 6, 21, 23, 30, 38, 39, 52, 53, 61, 76, 82, 83, 45, 47, 48, 49, 66 ], "opset": ["add", "sub", "abs_diff", "mult", "div", "inv", "abs", "exp", "log", "sin", "cos", "sq", "cb", "six_pow", "sqrt", "cbrt", "neg_exp"], "param_opset" : [], "fix_intercept": false diff --git a/tests/exec_test/classification_max_corr/data.csv b/tests/exec_test/classification_max_corr/data.csv index 3fa9f64bd0b9d2133040ea4849a71789ac8f078a..3de3e29a3d3a8510a21ace99268501120ce46af4 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