switching

.gitmodules

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+[submodule "result_table"]
+	path = result_table
+	url = gitea@gitea-s2i2s.isti.cnr.it:moreo/result_table.git

KDEy/constants.py

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+
+DEBUG = False

KDEy/experiments.py

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+import os
+import pickle
+import shutil
+import numpy as np
+from sklearn.linear_model import LogisticRegression
+from os.path import join
+import quapy as qp
+from quapy.method.aggregative import KDEyML
+from quapy.protocol import UPP
+from kdey_devel import KDEyMLauto
+from utils import *
+from constants import *
+import quapy.functional as F
+
+
+qp.environ["SAMPLE_SIZE"] = 100 if DEBUG else 500
+val_repeats  = 100 if DEBUG else 500
+test_repeats = 100 if DEBUG else 500
+if DEBUG:
+    qp.environ["DEFAULT_CLS"] = LogisticRegression()
+
+test_results = {}
+val_choice = {}
+
+bandwidth_range = np.linspace(0.01, 0.20, 20)
+if DEBUG:
+    bandwidth_range = np.linspace(0.01, 0.20, 5)
+
+
+def datasets():
+    dataset_list = qp.datasets.UCI_MULTICLASS_DATASETS[:4]
+    if DEBUG:
+        dataset_list = dataset_list[:4]
+    for dataset_name in dataset_list:
+        dataset = qp.datasets.fetch_UCIMulticlassDataset(dataset_name)
+        if DEBUG:
+            dataset = dataset.reduce(random_state=0)
+        yield dataset
+
+
+@measuretime
+def predict_b_modsel(dataset):
+    # bandwidth chosen during model selection in validation
+    train = dataset.training
+    train_tr, train_va = train.split_stratified(random_state=0)
+    kdey = KDEyML(random_state=0)
+    modsel = qp.model_selection.GridSearchQ(
+        model=kdey,
+        param_grid={'bandwidth': bandwidth_range},
+        protocol=UPP(train_va, repeats=val_repeats),
+        refit=False,
+        n_jobs=-1,
+        verbose=True
+    ).fit(train_tr)
+    chosen_bandwidth = modsel.best_params_['bandwidth']
+    modsel_choice = float(chosen_bandwidth)
+    # kdey.set_params(bandwidth=chosen_bandwidth)
+    # kdey.fit(train)
+    # kdey.qua
+    return modsel_choice
+
+@measuretime
+def predict_b_kdeymlauto(dataset):
+    # bandwidth chosen during model selection in validation
+    train, test = dataset.train_test
+    kdey = KDEyMLauto(random_state=0)
+    print(f'true-prevalence: {F.strprev(test.prevalence())}')
+    chosen_bandwidth, _ = kdey.chose_bandwidth(train, test.X)
+    auto_bandwidth = float(chosen_bandwidth)
+    return auto_bandwidth
+
+
+def in_test_search(dataset, n_jobs=-1):
+    train, test = dataset.train_test
+
+    print(f"generating true tests scores using KDEy in {dataset.name}")
+
+    def experiment_job(bandwidth):
+        kdey = KDEyML(bandwidth=bandwidth, random_state=0)
+        kdey.fit(train)
+        test_gen = UPP(test, repeats=test_repeats)
+        mae = qp.evaluation.evaluate(kdey, protocol=test_gen, error_metric='mae', verbose=True)
+        print(f'{bandwidth=}: {mae:.5f}')
+        return float(mae)
+
+    dataset_results = qp.util.parallel(experiment_job, bandwidth_range, n_jobs=n_jobs)
+    return dataset_results, bandwidth_range
+
+
+
+
+
+
+for dataset in datasets():
+    print('NAME', dataset.name)
+    print(len(dataset.training))
+    print(len(dataset.test))
+
+    result_path = f'./results/{dataset.name}/'
+    if DEBUG:
+        result_path = result_path.replace('results', 'results_debug')
+        if os.path.exists(result_path):
+            shutil.rmtree(result_path)
+
+    dataset_results, bandwidth_range = qp.util.pickled_resource(join(result_path, 'test.pkl'), in_test_search, dataset)
+
+    triplet_list_results = []
+    modsel_choice, modsel_time = qp.util.pickled_resource(join(result_path, 'modsel.pkl'), predict_b_modsel, dataset)
+    triplet_list_results.append(('modsel', modsel_choice, modsel_time,))
+    auto_choice, auto_time = qp.util.pickled_resource(join(result_path, 'auto.pkl'), predict_b_kdeymlauto, dataset)
+    triplet_list_results.append(('auto', auto_choice, auto_time,))
+
+    print(f'Dataset = {dataset.name}')
+    print(modsel_choice)
+    print(dataset_results)
+
+    plot_bandwidth(dataset.name, dataset_results, bandwidth_range, triplet_list_results)
+    error_table(dataset.name, dataset_results, bandwidth_range, triplet_list_results)
+    # time_table(dataset.name, dataset_results, bandwidth_range, triplet_list_results)
+
+
+
+
+

KDEy/kdey_devel.py

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+from typing import Union, Callable
+import numpy as np
+from sklearn.base import BaseEstimator
+from sklearn.neighbors import KernelDensity
+
+import quapy as qp
+from quapy.protocol import UPP
+from quapy.method._kdey import KDEBase
+from quapy.data import LabelledCollection
+from quapy.method.aggregative import AggregativeSoftQuantifier, KDEyML
+import quapy.functional as F
+
+from sklearn.metrics.pairwise import rbf_kernel
+from scipy import optimize
+from tqdm import tqdm
+import quapy.functional as F
+
+epsilon = 1e-10
+
+class KDEyMLauto(KDEyML):
+    def __init__(self, classifier: BaseEstimator = None, val_split=5, random_state=None, optim='two_steps'):
+        self.classifier = qp._get_classifier(classifier)
+        self.val_split = val_split
+        self.bandwidth = None
+        self.random_state = random_state
+        self.optim = optim
+
+    def chose_bandwidth(self, train, test_instances):
+        classif_predictions = self.classifier_fit_predict(train, fit_classifier=True, predict_on=self.val_split)
+        te_posteriors = self.classify(test_instances)
+        return self.transduce(classif_predictions, te_posteriors)
+
+    def transduce(self, classif_predictions, te_posteriors):
+        tr_posteriors, tr_y = classif_predictions.Xy
+        classes = classif_predictions.classes_
+        n_classes = len(classes)
+
+        current_bandwidth = 0.05
+        if self.optim == 'both_fine':
+            current_bandwidth = np.full(fill_value=current_bandwidth, shape=(n_classes,))
+        current_prevalence = np.full(fill_value=1 / n_classes, shape=(n_classes,))
+
+        if self.optim == 'max_likelihood':
+            current_prevalence, current_bandwidth = self.optim_minimize_like(tr_posteriors, tr_y, te_posteriors, classes, grid=True)
+        elif self.optim == 'max_likelihood2':
+            current_prevalence, current_bandwidth = self.optim_minimize_like(tr_posteriors, tr_y, te_posteriors, classes, grid=False)
+        else:
+
+            iterations = 0
+            convergence = False
+            with qp.util.temp_seed(self.random_state):
+
+                while not convergence:
+                    previous_bandwidth = current_bandwidth
+                    previous_prevalence = current_prevalence
+
+                    iterations += 1
+                    print(f'{iterations}:')
+
+                    if self.optim == 'two_steps':
+                        current_prevalence = self.optim_minimize_prevalence(current_bandwidth, current_prevalence, tr_posteriors, tr_y, te_posteriors, classes)
+                        print(f'\testim-prev={F.strprev(current_prevalence)}')
+                        current_bandwidth = self.optim_minimize_bandwidth(current_bandwidth, current_prevalence, tr_posteriors, tr_y, te_posteriors, classes)
+                        print(f'\tbandwidth={current_bandwidth}')
+                    elif self.optim == 'both':
+                        current_prevalence, current_bandwidth = self.optim_minimize_both(current_bandwidth, current_prevalence, tr_posteriors, tr_y, te_posteriors, classes)
+                    elif self.optim == 'both_fine':
+                        current_prevalence, current_bandwidth = self.optim_minimize_both_fine(current_bandwidth, current_prevalence, tr_posteriors, tr_y, te_posteriors, classes)
+
+                    # check converngece
+                    prev_convergence = all(np.isclose(previous_prevalence, current_prevalence, atol=0.01))
+                    if isinstance(current_bandwidth, float):
+                        band_convergence = np.isclose(previous_bandwidth, current_bandwidth, atol=0.001)
+                    else:
+                        band_convergence = all(np.isclose(previous_bandwidth, current_bandwidth, atol=0.001))
+
+                    convergence = band_convergence and prev_convergence
+
+        self.bandwidth = current_bandwidth
+        print('bandwidth=', current_bandwidth)
+        print('prevalence=', current_prevalence)
+        return current_prevalence
+
+    def optim_minimize_prevalence(self, current_bandwidth, current_prev, tr_posteriors, tr_y, te_posteriors, classes):
+        mix_densities = self.get_mixture_components(tr_posteriors, tr_y, classes, current_bandwidth)
+        test_densities = [self.pdf(kde_i, te_posteriors) for kde_i in mix_densities]
+
+        def neg_loglikelihood_prev(prev):
+            test_mixture_likelihood = sum(prev_i * dens_i for prev_i, dens_i in zip(prev, test_densities))
+            test_loglikelihood = np.log(test_mixture_likelihood + epsilon)
+            return -np.sum(test_loglikelihood)
+
+        return optim_minimize(neg_loglikelihood_prev, current_prev)
+
+    def optim_minimize_bandwidth(self, current_bandwidth, current_prev, tr_posteriors, tr_y, te_posteriors, classes):
+        def neg_loglikelihood_bandwidth(bandwidth):
+            # bandwidth = bandwidth[0]
+            mix_densities = self.get_mixture_components(tr_posteriors, tr_y, classes, bandwidth)
+            test_densities = [self.pdf(kde_i, te_posteriors) for kde_i in mix_densities]
+            test_mixture_likelihood = sum(prev_i * dens_i for prev_i, dens_i in zip(current_prev, test_densities))
+            test_loglikelihood = np.log(test_mixture_likelihood + epsilon)
+            nll = -np.sum(test_loglikelihood)
+            # print(f'\t{bandwidth=:.10f}\t{nll=:.10f}')
+            return nll
+
+        # bounds = [(0.00001, 0.2)]
+        # r = optimize.minimize(neg_loglikelihood_bandwidth, x0=[current_bandwidth], method='SLSQP', bounds=bounds)
+        r = optimize.minimize_scalar(neg_loglikelihood_bandwidth, bounds=(0.00001, 0.2))
+        # print(f'iterations-bandwidth={r.nit}')
+        assert r.success, f'Process did not converge! {r.message}'
+        return r.x
+
+    def optim_minimize_both(self, current_bandwidth, current_prev, tr_posteriors, tr_y, te_posteriors, classes):
+        n_classes = len(current_prev)
+        def neg_loglikelihood_bandwidth(prevalence_bandwidth):
+            bandwidth = prevalence_bandwidth[-1]
+            prevalence = prevalence_bandwidth[:-1]
+            mix_densities = self.get_mixture_components(tr_posteriors, tr_y, classes, bandwidth)
+            test_densities = [self.pdf(kde_i, te_posteriors) for kde_i in mix_densities]
+            test_mixture_likelihood = sum(prev_i * dens_i for prev_i, dens_i in zip(prevalence, test_densities))
+            test_loglikelihood = np.log(test_mixture_likelihood + epsilon)
+            return -np.sum(test_loglikelihood)
+
+        bounds = [(0, 1) for _ in range(n_classes)] + [(0.00001, 0.2)]
+        constraints = ({'type': 'eq', 'fun': lambda x: 1 - sum(x[:n_classes])})
+        prevalence_bandwidth = np.append(current_prev, current_bandwidth)
+        r = optimize.minimize(neg_loglikelihood_bandwidth, x0=prevalence_bandwidth, method='SLSQP', bounds=bounds, constraints=constraints)
+        print(f'iterations-both={r.nit}')
+        assert r.success, 'Process did not converge!'
+        prev_band = r.x
+        current_prevalence = prev_band[:-1]
+        current_bandwidth = prev_band[-1]
+        return current_prevalence, current_bandwidth
+
+    def optim_minimize_both_fine(self, current_bandwidth, current_prev, tr_posteriors, tr_y, te_posteriors, classes):
+        n_classes = len(current_bandwidth)
+        def neg_loglikelihood_bandwidth(prevalence_bandwidth):
+            prevalence = prevalence_bandwidth[:n_classes]
+            bandwidth = prevalence_bandwidth[n_classes:]
+            mix_densities = self.get_mixture_components(tr_posteriors, tr_y, classes, bandwidth)
+            test_densities = [self.pdf(kde_i, te_posteriors) for kde_i in mix_densities]
+            test_mixture_likelihood = sum(prev_i * dens_i for prev_i, dens_i in zip(prevalence, test_densities))
+            test_loglikelihood = np.log(test_mixture_likelihood + epsilon)
+            return -np.sum(test_loglikelihood)
+
+        bounds = [(0, 1) for _ in range(n_classes)] + [(0.00001, 1) for _ in range(n_classes)]
+        constraints = ({'type': 'eq', 'fun': lambda x: 1 - sum(x[:n_classes])})
+        prevalence_bandwidth = np.concatenate((current_prev, current_bandwidth))
+        r = optimize.minimize(neg_loglikelihood_bandwidth, x0=prevalence_bandwidth, method='SLSQP', bounds=bounds, constraints=constraints)
+        print(f'iterations-both-fine={r.nit}')
+        assert r.success, 'Process did not converge!'
+        prev_band = r.x
+        current_prevalence = prev_band[:n_classes]
+        current_bandwidth = prev_band[n_classes:]
+        return current_prevalence, current_bandwidth
+
+    def optim_minimize_like(self, tr_posteriors, tr_y, te_posteriors, classes, reduction=100, grid=True):
+        n_classes = len(classes)
+
+        # reduce samples to speed up computation
+        posteriors_subsample = LabelledCollection(tr_posteriors, tr_y)
+        posteriors_subsample = posteriors_subsample.sampling(reduction*n_classes)
+        n_test = te_posteriors.shape[0]
+        subsample_index = np.random.choice(np.arange(n_test), size=reduction)
+        te_posterior_subsample = te_posteriors[subsample_index]
+
+        if grid:
+            _, best_band = self.choose_bandwidth_maxlikelihood_grid(*posteriors_subsample.Xy, te_posterior_subsample, classes)
+        else:
+            best_band = self.choose_bandwidth_maxlikelihood_search(*posteriors_subsample.Xy, te_posterior_subsample, classes)
+
+        mix_densities = self.get_mixture_components(tr_posteriors, tr_y, classes, best_band)
+        test_densities = [self.pdf(kde_i, te_posteriors) for kde_i in mix_densities]
+
+        def neg_loglikelihood_prev(prev):
+            test_mixture_likelihood = sum(prev_i * dens_i for prev_i, dens_i in zip(prev, test_densities))
+            test_loglikelihood = np.log(test_mixture_likelihood + epsilon)
+            return -np.sum(test_loglikelihood)
+
+        init_prev = np.full(fill_value=1 / n_classes, shape=(n_classes,))
+        pred_prev, neglikelihood = optim_minimize(neg_loglikelihood_prev, init_prev, return_loss=True)
+
+        return pred_prev, best_band
+
+
+    def aggregation_fit(self, classif_predictions: LabelledCollection, data: LabelledCollection):
+        self.classif_predictions = classif_predictions
+        return self
+
+    def aggregate(self, posteriors: np.ndarray):
+        return self.transduce(self.classif_predictions, posteriors)
+
+    def choose_bandwidth_maxlikelihood_grid(self, tr_posteriors, tr_y, te_posteriors, classes):
+        n_classes = len(classes)
+        best_band = None
+        best_like = None
+        best_prev = None
+        init_prev = np.full(fill_value=1 / n_classes, shape=(n_classes,))
+        for bandwidth in np.logspace(-4, 0.5, 50):
+            mix_densities = self.get_mixture_components(tr_posteriors, tr_y, classes, bandwidth)
+            test_densities = [self.pdf(kde_i, te_posteriors) for kde_i in mix_densities]
+
+            def neg_loglikelihood_prev(prev):
+                test_mixture_likelihood = sum(prev_i * dens_i for prev_i, dens_i in zip(prev, test_densities))
+                test_loglikelihood = np.log(test_mixture_likelihood + epsilon)
+                return -np.sum(test_loglikelihood)
+
+            pred_prev, neglikelihood = optim_minimize(neg_loglikelihood_prev, init_prev, return_loss=True)
+
+            if best_like is None or neglikelihood < best_like:
+                best_like = neglikelihood
+                best_band = bandwidth
+                best_prev = pred_prev
+
+        print(f'best-like={best_like:.4f}')
+        print(f'best-band={best_band:.4f}')
+        return best_prev, best_band
+
+    def choose_bandwidth_maxlikelihood_search(self, tr_posteriors, tr_y, te_posteriors, classes):
+        n_classes = len(classes)
+        init_prev = np.full(fill_value=1 / n_classes, shape=(n_classes,))
+
+        def neglikelihood_band(bandwidth):
+            mix_densities = self.get_mixture_components(tr_posteriors, tr_y, classes, bandwidth[0])
+            test_densities = [self.pdf(kde_i, te_posteriors) for kde_i in mix_densities]
+
+            def neg_loglikelihood_prev(prev):
+                test_mixture_likelihood = sum(prev_i * dens_i for prev_i, dens_i in zip(prev, test_densities))
+                test_loglikelihood = np.log(test_mixture_likelihood + epsilon)
+                return -np.sum(test_loglikelihood)
+
+            pred_prev, neglikelihood = optim_minimize(neg_loglikelihood_prev, init_prev, return_loss=True)
+
+            return neglikelihood
+
+        bounds = [(0.0001, 0.2)]
+        r = optimize.minimize(neglikelihood_band, x0=[0.001], method='SLSQP', bounds=bounds)
+
+        best_band = r.x[0]
+        assert r.success, 'Process did not converge!'
+        print(f'solved in nit={r.nit}')
+        return best_band
+
+
+def optim_minimize(loss: Callable, init_prev: np.ndarray, return_loss=False):
+    """
+    Searches for the optimal prevalence values, i.e., an `n_classes`-dimensional vector of the (`n_classes`-1)-simplex
+    that yields the smallest lost. This optimization is carried out by means of a constrained search using scipy's
+    SLSQP routine.
+
+    :param loss: (callable) the function to minimize
+    :return: (ndarray) the best prevalence vector found
+    """
+
+    n_classes = len(init_prev)
+    # solutions are bounded to those contained in the unit-simplex
+    bounds = tuple((0, 1) for _ in range(n_classes))  # values in [0,1]
+    constraints = ({'type': 'eq', 'fun': lambda x: 1 - sum(x)})  # values summing up to 1
+    r = optimize.minimize(loss, x0=init_prev, method='SLSQP', bounds=bounds, constraints=constraints)
+    # print(f'iterations-prevalence={r.nit}')
+    assert r.success, 'Process did not converge!'
+    if return_loss:
+        return r.x, r.fun
+    else:
+        return r.x
+
+
+
+class KDEyMLauto2(KDEyML):
+
+    def __init__(self, classifier: BaseEstimator=None, val_split=5, bandwidth=0.1, random_state=None, reduction=100, max_reduced=500, target='likelihood'):
+        """
+        reduction: number of examples per class for automatically setting the bandwidth
+        """
+        self.classifier = qp._get_classifier(classifier)
+        self.val_split = val_split
+        if bandwidth == 'auto':
+            self.bandwidth = bandwidth
+        else:
+            self.bandwidth = KDEBase._check_bandwidth(bandwidth)
+        self.reduction = reduction
+        self.max_reduced = max_reduced
+        self.random_state = random_state
+        assert target in ['likelihood', 'likelihood+'] or target in qp.error.QUANTIFICATION_ERROR_NAMES, 'unknown target for auto'
+        self.target = target
+
+    def aggregation_fit(self, classif_predictions: LabelledCollection, data: LabelledCollection):
+        if self.bandwidth == 'auto':
+            self.auto_bandwidth_likelihood(classif_predictions)
+        else:
+            self.bandwidth_ = self.bandwidth
+        self.mix_densities = self.get_mixture_components(*classif_predictions.Xy, data.classes_, self.bandwidth_)
+        return self
+
+    def auto_bandwidth_likelihood(self, classif_predictions: LabelledCollection):
+        n_classes = classif_predictions.n_classes
+
+        train, val = classif_predictions.split_stratified(train_prop=0.5, random_state=self.random_state)
+
+        if self.reduction is not None:
+            # reduce samples to speed up computation
+            tr_length = min(self.reduction * n_classes, self.max_reduced)
+            if len(train) > tr_length:
+                train = train.sampling(tr_length)
+
+        init_prev = np.full(fill_value=1 / n_classes, shape=(n_classes,))
+        repeats = 25
+        prot = UPP(val, sample_size=self.reduction, repeats=repeats, random_state=self.random_state)
+
+        if self.target == 'likelihood+':
+
+            def neg_loglikelihood_bandwidth(bandwidth):
+                mix_densities = self.get_mixture_components(*train.Xy, train.classes_, bandwidth)
+
+                loss_accum = 0
+                for (sample, prevtrue) in prot():
+                    test_densities = [self.pdf(kde_i, sample) for kde_i in mix_densities]
+
+                    def neg_loglikelihood_prev(prev):
+                        test_mixture_likelihood = sum(prev_i * dens_i for prev_i, dens_i in zip(prev, test_densities))
+                        test_loglikelihood = np.log(test_mixture_likelihood + epsilon)
+                        nll = -np.sum(test_loglikelihood)
+                        return nll
+
+                    pred_prev, neglikelihood = optim_minimize(neg_loglikelihood_prev, init_prev, return_loss=True)
+                    # print(f'\t\tprev={F.strprev(pred_prev)} (true={F.strprev(prev)}) got {neglikelihood=}')
+                    loss_accum += neglikelihood
+                return loss_accum
+
+            r = optimize.minimize_scalar(neg_loglikelihood_bandwidth, bounds=(0.00001, 0.2))
+            best_band = r.x
+            best_loss_value = r.fun
+            nit = r.nit
+            # assert r.success, 'Process did not converge!'
+            #found bandwidth=0.00994664 after nit=3 iterations loss_val=-212247.24305)
+
+        else:
+            best_band = None
+            best_loss_value = None
+            init_prev = np.full(fill_value=1 / n_classes, shape=(n_classes,))
+            for bandwidth in np.logspace(-4, np.log10(0.2), 20):
+                mix_densities = self.get_mixture_components(*train.Xy, train.classes_, bandwidth)
+
+                loss_accum = 0
+                for (sample, prev) in tqdm(prot(), total=repeats):
+                    test_densities = [self.pdf(kde_i, sample) for kde_i in mix_densities]
+
+                    def neg_loglikelihood_prev_(prev):
+                        test_mixture_likelihood = sum(prev_i * dens_i for prev_i, dens_i in zip(prev, test_densities))
+                        test_loglikelihood = np.log(test_mixture_likelihood + epsilon)
+                        return -np.sum(test_loglikelihood)
+
+                    if self.target == 'likelihood':
+                        loss_fn = neg_loglikelihood_prev_
+                    else:
+                        loss_fn = lambda prev_hat: qp.error.from_name(self.target)(prev, prev_hat)
+
+                    pred_prev, loss_val = optim_minimize(loss_fn, init_prev, return_loss=True)
+                    loss_accum += loss_val
+
+                if best_loss_value is None or loss_accum < best_loss_value:
+                    best_loss_value = loss_accum
+                    best_band = bandwidth
+            nit=20
+
+        print(f'found bandwidth={best_band:.8f} after {nit=} iterations loss_val={best_loss_value:.5f})')
+        self.bandwidth_ = best_band
+
+
+class KDEyMLred(KDEyML):
+    def __init__(self, classifier: BaseEstimator=None, val_split=5, bandwidth=0.1, random_state=None, reduction=100, max_reduced=500):
+        self.classifier = qp._get_classifier(classifier)
+        self.val_split = val_split
+        self.bandwidth = KDEBase._check_bandwidth(bandwidth)
+        self.reduction = reduction
+        self.max_reduced = max_reduced
+        self.random_state = random_state
+
+    def aggregation_fit(self, classif_predictions: LabelledCollection, data: LabelledCollection):
+        n_classes = classif_predictions.n_classes
+        tr_length = min(self.reduction * n_classes, self.max_reduced)
+        if len(classif_predictions) > tr_length:
+            classif_predictions = classif_predictions.sampling(tr_length)
+        self.mix_densities = self.get_mixture_components(*classif_predictions.Xy, data.classes_, self.bandwidth)
+        return self
+

KDEy/quantification_evaluation.py

@@ -0,0 +1,163 @@
+import pickle
+import os
+from time import time
+from collections import defaultdict
+
+import numpy as np
+from sklearn.linear_model import LogisticRegression
+
+import quapy as qp
+from KDEy.kdey_devel import KDEyMLauto, KDEyMLauto2, KDEyMLred
+from quapy.method.aggregative import PACC, EMQ, KDEyML
+from quapy.model_selection import GridSearchQ
+from quapy.protocol import UPP
+from pathlib import Path
+
+SEED = 1
+
+
+def newLR():
+    return LogisticRegression(max_iter=3000)
+
+
+# typical hyperparameters explored for Logistic Regression
+logreg_grid = {
+    'C': np.logspace(-3,3,7),
+    'class_weight': [None, 'balanced']
+}
+
+
+def wrap_hyper(classifier_hyper_grid: dict):
+    return {'classifier__' + k: v for k, v in classifier_hyper_grid.items()}
+
+
+METHODS = [
+    ('PACC', PACC(newLR()), wrap_hyper(logreg_grid)),
+    ('EMQ', EMQ(newLR()), wrap_hyper(logreg_grid)),
+    ('KDEy-ML',  KDEyML(newLR()), {**wrap_hyper(logreg_grid), **{'bandwidth': np.logspace(-4, np.log10(0.2), 20)}}),
+    # ('KDEy-MLred',  KDEyMLred(newLR()), {**wrap_hyper(logreg_grid), **{'bandwidth': np.logspace(-4, np.log10(0.2), 20)}}),
+    ('KDEy-ML-scott', KDEyML(newLR(), bandwidth='scott'), wrap_hyper(logreg_grid)),
+    ('KDEy-ML-silver', KDEyML(newLR(), bandwidth='silverman'), wrap_hyper(logreg_grid)),
+    ('KDEy-ML-autoLike',  KDEyMLauto2(newLR(), bandwidth='auto', target='likelihood'), wrap_hyper(logreg_grid)),
+    ('KDEy-ML-autoLike+',  KDEyMLauto2(newLR(), bandwidth='auto', target='likelihood+'), wrap_hyper(logreg_grid)), 
+    ('KDEy-ML-autoAE',  KDEyMLauto2(newLR(), bandwidth='auto', target='mae'), wrap_hyper(logreg_grid)),
+    ('KDEy-ML-autoRAE',  KDEyMLauto2(newLR(), bandwidth='auto', target='mrae'), wrap_hyper(logreg_grid)),
+]
+
+
+"""
+TKDEyML era primero bandwidth (init 0.05) y luego prevalence (init uniform)
+TKDEyML2 era primero prevalence (init uniform) y luego bandwidth (init 0.05)
+TKDEyML3 era primero prevalence (init uniform) y luego bandwidth (init 0.1)
+TKDEyML4 es como ML2 pero max 5 iteraciones por optimización 
+"""
+TRANSDUCTIVE_METHODS = [
+    #('TKDEy-ML',  KDEyMLauto(newLR()), None),
+    # ('TKDEy-MLboth',  KDEyMLauto(newLR(), optim='both'), None),
+    # ('TKDEy-MLbothfine',  KDEyMLauto(newLR(), optim='both_fine'), None),
+    # ('TKDEy-ML2',  KDEyMLauto(newLR(), optim='two_steps'), None),
+    # ('TKDEy-MLike',  KDEyMLauto(newLR(), optim='max_likelihood'), None),
+    # ('TKDEy-MLike2',  KDEyMLauto(newLR(), optim='max_likelihood2'), None),
+    #('TKDEy-ML3',  KDEyMLauto(newLR()), None),
+    #('TKDEy-ML4',  KDEyMLauto(newLR()), None),
+]
+
+def show_results(result_path):
+    import pandas as pd
+    df = pd.read_csv(result_path + '.csv', sep='\t')
+    pd.set_option('display.max_columns', None)
+    pd.set_option('display.max_rows', None)
+    pd.set_option('display.width', 1000)  # Ajustar el ancho máximo
+    pv = df.pivot_table(index='Dataset', columns="Method", values=["MAE"], margins=True)
+    print(pv)
+    pv = df.pivot_table(index='Dataset', columns="Method", values=["MRAE"], margins=True)
+    print(pv)
+    pv = df.pivot_table(index='Dataset', columns="Method", values=["KLD"], margins=True)
+    print(pv)
+    pv = df.pivot_table(index='Dataset', columns="Method", values=["TR-TIME"], margins=True)
+    print(pv)
+    pv = df.pivot_table(index='Dataset', columns="Method", values=["TE-TIME"], margins=True)
+    print(pv)
+
+
+if __name__ == '__main__':
+
+    qp.environ['SAMPLE_SIZE'] = 500
+    qp.environ['N_JOBS'] = -1
+    n_bags_val = 25
+    n_bags_test = 100
+    result_dir = f'results_quantification/ucimulti'
+
+    os.makedirs(result_dir, exist_ok=True)
+
+    global_result_path = f'{result_dir}/allmethods'
+    with open(global_result_path + '.csv', 'wt') as csv:
+        csv.write(f'Method\tDataset\tMAE\tMRAE\tKLD\tTR-TIME\tTE-TIME\n')
+
+    for method_name, quantifier, param_grid in METHODS + TRANSDUCTIVE_METHODS:
+
+        print('Init method', method_name)
+
+        with open(global_result_path + '.csv', 'at') as csv:
+            for dataset in qp.datasets.UCI_MULTICLASS_DATASETS:
+                print('init', dataset)
+
+                # run_experiment(global_result_path, method_name, quantifier, param_grid, dataset)
+                local_result_path = os.path.join(Path(global_result_path).parent, method_name + '_' + dataset + '.dataframe')
+
+                if os.path.exists(local_result_path):
+                    print(f'result file {local_result_path} already exist; skipping')
+                    report = qp.util.load_report(local_result_path)
+
+                else:
+                    with qp.util.temp_seed(SEED):
+
+                        data = qp.datasets.fetch_UCIMulticlassDataset(dataset, verbose=True)
+                        train, test = data.train_test
+
+                        transductive_names = [name for (name, *_) in TRANSDUCTIVE_METHODS]
+
+                        if method_name not in transductive_names:
+                            if len(param_grid) == 0:
+                                t_init = time()
+                                quantifier.fit(train)
+                                train_time = time() - t_init
+                            else:
+                                # model selection (train)
+                                train, val = train.split_stratified(random_state=SEED)
+                                protocol = UPP(val, repeats=n_bags_val)
+                                modsel = GridSearchQ(
+                                    quantifier, param_grid, protocol, refit=True, n_jobs=-1, verbose=1, error='mae'
+                                )
+                                t_init = time()
+                                try:
+                                    modsel.fit(train)
+                                    print(f'best params {modsel.best_params_}')
+                                    print(f'best score {modsel.best_score_}')
+                                    quantifier = modsel.best_model()
+                                except:
+                                    print('something went wrong... trying to fit the default model')
+                                    quantifier.fit(train)
+                                train_time = time() - t_init
+                        else:
+                            # transductive
+                            t_init = time()
+                            quantifier.fit(train)  # <-- nothing actually (proyects the X into posteriors only)
+                            train_time = time() - t_init
+
+                        # test
+                        t_init = time()
+                        protocol = UPP(test, repeats=n_bags_test)
+                        report = qp.evaluation.evaluation_report(
+                            quantifier, protocol, error_metrics=['mae', 'mrae', 'kld'], verbose=True
+                        )
+                        test_time = time() - t_init
+                        report['tr_time'] = train_time
+                        report['te_time'] = test_time
+                        report.to_csv(local_result_path)
+
+                means = report.mean(numeric_only=True)
+                csv.write(f'{method_name}\t{dataset}\t{means["mae"]:.5f}\t{means["mrae"]:.5f}\t{means["kld"]:.5f}\t{means["tr_time"]:.3f}\t{means["te_time"]:.3f}\n')
+                csv.flush()
+
+    show_results(global_result_path)

KDEy/quantification_evaluation_debug.py

@@ -0,0 +1,188 @@
+import pickle
+import os
+from time import time
+from collections import defaultdict
+from tqdm import tqdm
+import numpy as np
+from sklearn.linear_model import LogisticRegression
+
+import quapy as qp
+from KDEy.kdey_devel import KDEyMLauto, optim_minimize
+from method._kdey import KDEBase
+from quapy.method.aggregative import PACC, EMQ, KDEyML
+from quapy.model_selection import GridSearchQ
+from quapy.protocol import UPP
+from pathlib import Path
+from quapy import functional as F
+import matplotlib.pyplot as plt
+
+
+SEED = 1
+
+
+def newLR():
+    return LogisticRegression(max_iter=1000)#, C=1, class_weight='balanced')
+
+SAMPLE_SIZE=150
+qp.environ['SAMPLE_SIZE'] = SAMPLE_SIZE
+
+show_ae = True
+show_rae = True
+show_mse = False
+show_kld = True
+
+epsilon = 1e-10
+# n_bags_test = 2
+# DATASETS = [qp.datasets.UCI_MULTICLASS_DATASETS[21]]
+DATASETS = qp.datasets.UCI_MULTICLASS_DATASETS
+for i, dataset in enumerate(DATASETS):
+
+    def generate_data():
+        data = qp.datasets.fetch_UCIMulticlassDataset(dataset)
+        n_classes = data.n_classes
+        print(f'{i=}')
+        print(f'{dataset=}')
+        print(f'{n_classes=}')
+        print(len(data.training))
+        print(len(data.test))
+
+        train, test = data.train_test
+        train_prev = train.prevalence()
+        test_prev = test.prevalence()
+
+        print(f'train-prev = {F.strprev(train_prev)}')
+        print(f'test-prev = {F.strprev(test_prev)}')
+
+        repeats = 10
+        prot = UPP(test, sample_size=SAMPLE_SIZE, repeats=repeats)
+        kde = KDEyMLauto(newLR())
+        kde.fit(train)
+        AE_error, RAE_error, MSE_error, KLD_error, LIKE_value = [], [], [], [], []
+        tr_posteriors, tr_y = kde.classif_predictions.Xy
+        for it, (sample, prev) in tqdm(enumerate(prot()), total=repeats):
+            te_posteriors = kde.classifier.predict_proba(sample)
+            classes = train.classes_
+
+            xaxis = []
+            ae_error = []
+            rae_error = []
+            mse_error = []
+            kld_error = []
+            likelihood_value = []
+
+            # for bandwidth in np.linspace(0.01, 0.2, 50):
+            for bandwidth in np.logspace(-5, 0.5, 50):
+                mix_densities = kde.get_mixture_components(tr_posteriors, tr_y, classes, bandwidth)
+                test_densities = [kde.pdf(kde_i, te_posteriors) for kde_i in mix_densities]
+
+                def neg_loglikelihood_prev(prev):
+                    test_mixture_likelihood = sum(prev_i * dens_i for prev_i, dens_i in zip(prev, test_densities))
+                    test_loglikelihood = np.log(test_mixture_likelihood + epsilon)
+                    return -np.sum(test_loglikelihood)
+
+                init_prev = np.full(fill_value=1 / n_classes, shape=(n_classes,))
+                pred_prev, likelihood = optim_minimize(neg_loglikelihood_prev, init_prev, return_loss=True)
+
+                xaxis.append(bandwidth)
+                ae_error.append(qp.error.ae(prev, pred_prev))
+                rae_error.append(qp.error.rae(prev, pred_prev))
+                mse_error.append(qp.error.mse(prev, pred_prev))
+                kld_error.append(qp.error.kld(prev, pred_prev))
+                likelihood_value.append(likelihood)
+
+            AE_error.append(ae_error)
+            RAE_error.append(rae_error)
+            MSE_error.append(mse_error)
+            KLD_error.append(kld_error)
+            LIKE_value.append(likelihood_value)
+
+        return xaxis, AE_error, RAE_error, MSE_error, KLD_error, LIKE_value
+
+    xaxis, AE_error, RAE_error, MSE_error, KLD_error, LIKE_value = qp.util.pickled_resource(
+        f'./plots/likelihood/pickles/{dataset}.pkl', generate_data)
+
+    for row in range(len(AE_error)):
+
+        # Crear la figura
+        # ----------------------------------------------------------------------------------------------------
+        fig, ax1 = plt.subplots(figsize=(8, 6))
+
+        # Pintar las series ae_error, rae_error, y kld_error en el primer eje Y
+        if show_ae:
+            ax1.plot(xaxis, AE_error[row], label='AE', marker='o', color='b')
+        if show_rae:
+            ax1.plot(xaxis, RAE_error[row], label='RAE', marker='s', color='g')
+        if show_kld:
+            ax1.plot(xaxis, KLD_error[row], label='KLD', marker='^', color='r')
+        if show_mse:
+            ax1.plot(xaxis, MSE_error[row], label='MSE', marker='^', color='c')
+        ax1.set_xscale('log')
+
+        # Configurar etiquetas para el primer eje Y
+        ax1.set_xlabel('Bandwidth')
+        ax1.set_ylabel('Error Value')
+        ax1.grid(True)
+        ax1.legend(loc='upper left')
+
+        # Crear un segundo eje Y que comparte el eje X
+        ax2 = ax1.twinx()
+
+        # Pintar likelihood_val en el segundo eje Y
+        ax2.plot(xaxis, LIKE_value[row], label='(neg)Likelihood', marker='x', color='purple')
+
+        # Configurar etiquetas para el segundo eje Y
+        ax2.set_ylabel('Likelihood Value')
+        ax2.legend(loc='upper right')
+
+        # Mostrar el gráfico
+        plt.title('Error Metrics vs Bandwidth')
+        # plt.show()
+        os.makedirs('./plots/likelihood/', exist_ok=True)
+        plt.savefig(f'./plots/likelihood/{dataset}-fig{row}.png')
+        plt.close()
+
+    # Crear la figura con las medias
+    # ----------------------------------------------------------------------------------------------------
+    fig, ax1 = plt.subplots(figsize=(8, 6))
+
+    def add_plot(ax, vals_error, name, color, marker, show):
+        if not show:
+            return
+        vals_error = np.asarray(vals_error)
+        vals_ave = np.mean(vals_error, axis=0)
+        vals_std = np.std(vals_error, axis=0)
+        ax.plot(xaxis, vals_ave, label=name, marker=marker, color=color)
+        ax.fill_between(xaxis, vals_ave - vals_std, vals_ave + vals_std, color=color, alpha=0.2)
+
+    add_plot(ax1, AE_error, 'AE', color='b', marker='o', show=show_ae)
+    add_plot(ax1, RAE_error, 'RAE', color='g', marker='s', show=show_rae)
+    add_plot(ax1, KLD_error, 'KLD', color='r', marker='^', show=show_kld)
+    add_plot(ax1, MSE_error, 'MSE', color='c', marker='^', show=show_mse)
+    ax1.set_xscale('log')
+
+    # Configurar etiquetas para el primer eje Y
+    ax1.set_xlabel('Bandwidth')
+    ax1.set_ylabel('Error Value')
+    ax1.grid(True)
+    ax1.legend(loc='upper left')
+
+    # Crear un segundo eje Y que comparte el eje X
+    ax2 = ax1.twinx()
+
+    # Pintar likelihood_val en el segundo eje Y
+    add_plot(ax2, LIKE_value, '(neg)Likelihood', color='purple', marker='x', show=True)
+
+    # Configurar etiquetas para el segundo eje Y
+    ax2.set_ylabel('Likelihood Value')
+    ax2.legend(loc='upper right')
+
+    # Mostrar el gráfico
+    plt.title('Error Metrics vs Bandwidth')
+    # plt.show()
+    os.makedirs('./plots/likelihood/', exist_ok=True)
+    plt.savefig(f'./plots/likelihood/{dataset}-figAve.png')
+    plt.close()
+
+
+
+

KDEy/utils.py

@@ -0,0 +1,81 @@
+import time
+from functools import wraps
+import os
+from os.path import join
+from result_table.src.table import Table
+import numpy as np
+from constants import *
+
+def measuretime(func):
+    @wraps(func)
+    def wrapper(*args, **kwargs):
+        start_time = time.time()
+        result = func(*args, **kwargs)
+        end_time = time.time()
+        time_it_took = end_time - start_time
+        if isinstance(result, tuple):
+            return (*result, time_it_took)
+        else:
+            return result, time_it_took
+    return wrapper
+
+
+def plot_bandwidth(dataset_name, test_results, bandwidths, triplet_list_results):
+    import matplotlib.pyplot as plt
+
+    print("PLOT", dataset_name)
+    print(dataset_name)
+
+    plt.figure(figsize=(8, 6))
+
+    # show test results
+    plt.plot(bandwidths, test_results, marker='o', color='k')
+
+    colors = plt.cm.tab10(np.linspace(0, 1, len(triplet_list_results)))
+    for i, (method_name, method_choice, method_time) in enumerate(triplet_list_results):
+        plt.axvline(x=method_choice, linestyle='--', label=method_name, color=colors[i])
+
+    # Agregar etiquetas y título
+    plt.xlabel('Bandwidth')
+    plt.ylabel('MAE')
+    plt.title(dataset_name)
+
+    # Mostrar la leyenda
+    plt.legend(loc='center left', bbox_to_anchor=(1, 0.5))
+
+    # Mostrar la gráfica
+    plt.grid(True)
+
+    plotdir = './plots'
+    if DEBUG:
+        plotdir = './plots_debug'
+    os.makedirs(plotdir, exist_ok=True)
+    plt.tight_layout()
+    plt.savefig(f'{plotdir}/{dataset_name}.png')
+    plt.close()
+
+def error_table(dataset_name, test_results, bandwidth_range, triplet_list_results):
+    best_bandwidth = bandwidth_range[np.argmin(test_results)]
+    best_score = np.min(test_results)
+    print(f'Method\tChoice\tAE\tTime')
+    table=Table(name=dataset_name)
+    table.format.with_mean=False
+    table.format.with_rank_mean = False
+    table.format.show_std = False
+    for method_name, method_choice, took in triplet_list_results:
+        if method_choice in bandwidth_range:
+            index = np.where(bandwidth_range == method_choice)[0][0]
+            method_score = test_results[index]
+        else:
+            method_score = 1
+        error = np.abs(best_score-method_score)
+        table.add(benchmark='Choice', method=method_name, v=method_choice)
+        table.add(benchmark='ScoreChoice', method=method_name, v=method_score)
+        table.add(benchmark='Best', method=method_name, v=best_bandwidth)
+        table.add(benchmark='ScoreBest', method=method_name, v=best_score)
+        table.add(benchmark='AE', method=method_name, v=error)
+        table.add(benchmark='Time', method=method_name, v=took)
+    outpath = './tables'
+    if DEBUG:
+        outpath = './tables_debug'
+    table.latexPDF(join(outpath, dataset_name+'.pdf'), transpose=True)

LocalStack/_neural.py

@@ -5,7 +5,7 @@ import torch.nn.functional as F
 
 class DistributionRegressor(nn.Module):
 
-    def __init__(self, n_classes, hidden_dim=64):
+    def __init__(self, n_classes, hidden_dim=256):
         super(DistributionRegressor, self).__init__()
         self.fc1 = nn.Linear(n_classes, hidden_dim)
         self.fc2 = nn.Linear(hidden_dim, n_classes)

LocalStack/method.py

@@ -6,7 +6,7 @@ from sklearn.multioutput import MultiOutputRegressor
 from sklearn.svm import SVR
 
 from LocalStack._neural import DistributionRegressor
-from data import LabelledCollection
+from quapy.data import LabelledCollection
 from quapy.method.base import BaseQuantifier
 from quapy.method.aggregative import AggregativeSoftQuantifier
 from tqdm import tqdm
@@ -41,7 +41,7 @@ class LocalStackingQuantification(BaseQuantifier):
         samples_pred_prevs = []
         samples_distance = []
         for i in range(self.n_samples_gen):
-            sample_i = self.val_data.sampling(test_size, *pred_prevs)
+            sample_i = self.val_data.sampling(test_size, *pred_prevs, random_state=self.random_state)
             pred_prev_sample_i = self.surrogate_quantifier.quantify(sample_i.X)
             err_dist = self.comparison_measure(pred_prevs, pred_prev_sample_i)
 
@@ -53,7 +53,7 @@ class LocalStackingQuantification(BaseQuantifier):
         samples_sel = np.asarray(samples)[ord_distances][:self.n_samples_sel]
         samples_pred_prevs_sel = np.asarray(samples_pred_prevs)[ord_distances][:self.n_samples_sel]
 
-        reg = MultiOutputRegressor(SVR(C=1000))
+        reg = MultiOutputRegressor(SVR())
         reg_X = samples_pred_prevs_sel
         reg_y = [s.prevalence() for s in samples_sel]
         reg.fit(reg_X, reg_y)

quapy/__init__.py

@@ -14,7 +14,7 @@ from . import model_selection
 from . import classification
 import os
 
-__version__ = '0.1.9'
+__version__ = '0.1.10'
 
 environ = {
     'SAMPLE_SIZE': None,

quapy/data/base.py

@@ -502,7 +502,7 @@ class Dataset:
         return len(self.vocabulary)
 
     @property
-    def train_test(self):
+    def train_test(self) -> (LabelledCollection, LabelledCollection):
         """
         Alias to `self.training` and `self.test`
 

quapy/data/datasets.py

@@ -3,6 +3,7 @@ from contextlib import contextmanager
 import zipfile
 from os.path import join
 import pandas as pd
+import sklearn.datasets
 from ucimlrepo import fetch_ucirepo
 from quapy.data.base import Dataset, LabelledCollection
 from quapy.data.preprocessing import text2tfidf, reduce_columns
@@ -1004,3 +1005,49 @@ def fetch_IFCB(single_sample_train=True, for_model_selection=False, data_home=No
         return train, test_gen
     else:
         return train_gen, test_gen
+
+
+def syntheticUniformLabelledCollection(n_samples, n_features, n_classes, n_clusters_per_class=1, **kwargs):
+    """
+    Generates a synthetic labelled collection with uniform priors and
+    of `n_samples` instances, `n_features` features, and `n_classes` classes.
+    The underlying generator relies on the function
+    `sklearn.datasets.make_classification`. Other options can be specified using the `kwargs`;
+    see the `scikit-learn documentation
+    <https://scikit-learn.org/stable/modules/generated/sklearn.datasets.make_classification.html>`_
+    for a full list of optional parameters.
+
+    :param n_samples: number of instances
+    :param n_features: number of features
+    :param n_classes: number of classes
+    """
+    X, y = sklearn.datasets.make_classification(
+        n_samples=n_samples,
+        n_features=n_features,
+        n_classes=n_classes,
+        n_clusters_per_class=n_clusters_per_class,
+        **kwargs
+    )
+
+    return LabelledCollection(X, y)
+
+def syntheticUniformDataset(n_samples, n_features, n_classes, test_split=0.3, **kwargs):
+    """
+    Generates a synthetic Dataset with approximately uniform priors and
+    of `n_samples` instances, `n_features` features, and `n_classes` classes.
+    The underlying generator relies on the function
+    `sklearn.datasets.make_classification`. Other options can be specified using the `kwargs`;
+    see the `scikit-learn documentation
+    <https://scikit-learn.org/stable/modules/generated/sklearn.datasets.make_classification.html>`_
+    for a full list of optional parameters.
+
+    :param n_samples: number of instances
+    :param n_features: number of features
+    :param n_classes: number of classes
+    :param test_split: proportion of test instances
+    """
+    assert 0. < test_split < 1., "invalid proportion of test instances; the value must be in (0, 1)"
+    lc = syntheticUniformLabelledCollection(n_samples, n_features, n_classes, **kwargs)
+    training, test = lc.split_stratified(train_prop=1-test_split, random_state=kwargs.get('random_state', None))
+    dataset = Dataset(training=training, test=test, name=f'synthetic(nF={n_features},nC={n_classes})')
+    return dataset

quapy/method/_kdey.py

@@ -66,11 +66,13 @@ class KDEBase:
         """
         class_cond_X = []
         for cat in classes:
-            selX = X[y==cat]
+            selX = X[y == cat]
-            if selX.size==0:
+            if selX.size == 0:
                 selX = [F.uniform_prevalence(len(classes))]
             class_cond_X.append(selX)
-        return [self.get_kde_function(X_cond_yi, bandwidth) for X_cond_yi in class_cond_X]
+        if isinstance(bandwidth, float) or isinstance(bandwidth, str):
+            bandwidth = np.full(fill_value=bandwidth, shape=(len(classes),))
+        return [self.get_kde_function(X_cond_yi, band_i) for X_cond_yi, band_i in zip(class_cond_X, bandwidth)]
 
 
 class KDEyML(AggregativeSoftQuantifier, KDEBase):
@@ -188,7 +190,7 @@ class KDEyHD(AggregativeSoftQuantifier, KDEBase):
 
     def __init__(self, classifier: BaseEstimator=None, val_split=5, divergence: str='HD',
                  bandwidth=0.1, random_state=None, montecarlo_trials=10000):
-        
+
         self.classifier = qp._get_classifier(classifier)
         self.val_split = val_split
         self.divergence = divergence
@@ -218,7 +220,7 @@ class KDEyHD(AggregativeSoftQuantifier, KDEBase):
 
         def f_squared_hellinger(u):
             return (np.sqrt(u)-1)**2
-        
+
         # todo: this will fail when self.divergence is a callable, and is not the right place to do it anyway
         if self.divergence.lower() == 'hd':
             f = f_squared_hellinger
@@ -283,7 +285,7 @@ class KDEyCS(AggregativeSoftQuantifier):
 
     def gram_matrix_mix_sum(self, X, Y=None):
         # this adapts the output of the rbf_kernel function (pairwise evaluations of Gaussian kernels k(x,y))
-        # to contain pairwise evaluations of N(x|mu,Sigma1+Sigma2) with mu=y and Sigma1 and Sigma2 are 
+        # to contain pairwise evaluations of N(x|mu,Sigma1+Sigma2) with mu=y and Sigma1 and Sigma2 are
         # two "scalar matrices" (h^2)*I each, so Sigma1+Sigma2 has scalar 2(h^2) (h is the bandwidth)
         h = self.bandwidth
         variance = 2 * (h**2)
@@ -342,7 +344,7 @@ class KDEyCS(AggregativeSoftQuantifier):
         # at each iteration of the optimization phase)
         tr_te_sums = np.zeros(shape=n, dtype=float)
         for i in range(n):
-            tr_te_sums[i] = self.gram_matrix_mix_sum(Ptr[y==i], Pte) 
+            tr_te_sums[i] = self.gram_matrix_mix_sum(Ptr[y==i], Pte)
 
         def divergence(alpha):
             # called \overline{r} in the paper

result_table

@@ -0,0 +1 @@
+Subproject commit c223c9f1fe3c9708e8c5a5c56e438cdaaa857be4