Merge branch 'master' into UpdateDocAndVersion

* Add complete classes counts to node and tests

* Implement optimized predict and new predict_proba

* Add predict_proba test

* Add python 3.10 to CI

.coveragerc

@@ -10,5 +10,4 @@ exclude_lines =
     if __name__ == .__main__.:
 ignore_errors = True
 omit =
-    stree/tests/*
     stree/__init__.py

.github/workflows/codeql-analysis.yml

@@ -0,0 +1,56 @@
+name: "CodeQL"
+
+on:
+  push:
+    branches: [ master ]
+  pull_request:
+    # The branches below must be a subset of the branches above
+    branches: [ master ]
+  schedule:
+    - cron: '16 17 * * 3'
+
+jobs:
+  analyze:
+    name: Analyze
+    runs-on: ubuntu-latest
+
+    strategy:
+      fail-fast: false
+      matrix:
+        language: [ 'python' ]
+        # CodeQL supports [ 'cpp', 'csharp', 'go', 'java', 'javascript', 'python' ]
+        # Learn more:
+        # https://docs.github.com/en/free-pro-team@latest/github/finding-security-vulnerabilities-and-errors-in-your-code/configuring-code-scanning#changing-the-languages-that-are-analyzed
+
+    steps:
+    - name: Checkout repository
+      uses: actions/checkout@v2
+
+    # Initializes the CodeQL tools for scanning.
+    - name: Initialize CodeQL
+      uses: github/codeql-action/init@v1
+      with:
+        languages: ${{ matrix.language }}
+        # If you wish to specify custom queries, you can do so here or in a config file.
+        # By default, queries listed here will override any specified in a config file.
+        # Prefix the list here with "+" to use these queries and those in the config file.
+        # queries: ./path/to/local/query, your-org/your-repo/queries@main
+
+    # Autobuild attempts to build any compiled languages  (C/C++, C#, or Java).
+    # If this step fails, then you should remove it and run the build manually (see below)
+    - name: Autobuild
+      uses: github/codeql-action/autobuild@v1
+
+    # ℹ️ Command-line programs to run using the OS shell.
+    # 📚 https://git.io/JvXDl
+
+    # ✏️ If the Autobuild fails above, remove it and uncomment the following three lines
+    #    and modify them (or add more) to build your code if your project
+    #    uses a compiled language
+
+    #- run: |
+    #   make bootstrap
+    #   make release
+
+    - name: Perform CodeQL Analysis
+      uses: github/codeql-action/analyze@v1

.github/workflows/main.yml

@@ -0,0 +1,47 @@
+name: CI
+
+on:
+  push:
+    branches: [master]
+  pull_request:
+    branches: [master]
+  workflow_dispatch:
+
+jobs:
+  build:
+    runs-on: ${{ matrix.os }}
+    strategy:
+      matrix:
+        os: [macos-latest, ubuntu-latest, windows-latest]
+        python: [3.8, "3.10"]
+
+    steps:
+      - uses: actions/checkout@v2
+      - name: Set up Python ${{ matrix.python }}
+        uses: actions/setup-python@v2
+        with:
+          python-version: ${{ matrix.python }}
+      - name: Install dependencies
+        run: |
+          pip install -q --upgrade pip
+          pip install -q -r requirements.txt
+          pip install -q --upgrade codecov coverage black flake8 codacy-coverage
+      - name: Lint
+        run: |
+          black --check --diff stree
+          flake8 --count stree
+      - name: Tests
+        run: |
+          coverage run -m unittest -v stree.tests
+          coverage xml
+      - name: Upload coverage to Codecov
+        uses: codecov/codecov-action@v1
+        with:
+          token: ${{ secrets.CODECOV_TOKEN }}
+          files: ./coverage.xml
+      - name: Run codacy-coverage-reporter
+        if: runner.os == 'Linux'
+        uses: codacy/codacy-coverage-reporter-action@master
+        with:
+          project-token: ${{ secrets.CODACY_PROJECT_TOKEN }}
+          coverage-reports: coverage.xml

.gitignore

@@ -130,4 +130,7 @@ dmypy.json
 
 .idea
 .vscode
-.pre-commit-config.yaml
+.pre-commit-config.yaml
+
+**.csv
+.virtual_documents

CITATION.cff

@@ -0,0 +1,37 @@
+cff-version: 1.2.0
+message: "If you use this software, please cite it as below."
+authors:
+  - family-names: "Montañana"
+    given-names: "Ricardo"
+    orcid: "https://orcid.org/0000-0003-3242-5452"
+  - family-names: "Gámez"
+    given-names: "José A."
+    orcid: "https://orcid.org/0000-0003-1188-1117"
+  - family-names: "Puerta"
+    given-names: "José M."
+    orcid: "https://orcid.org/0000-0002-9164-5191"
+title: "STree"
+version: 1.2.3
+doi: 10.5281/zenodo.5504083
+date-released: 2021-11-02
+url: "https://github.com/Doctorado-ML/STree"
+preferred-citation:
+  type: article
+  authors:
+    - family-names: "Montañana"
+      given-names: "Ricardo"
+      orcid: "https://orcid.org/0000-0003-3242-5452"
+    - family-names: "Gámez"
+      given-names: "José A."
+      orcid: "https://orcid.org/0000-0003-1188-1117"
+    - family-names: "Puerta"
+      given-names: "José M."
+      orcid: "https://orcid.org/0000-0002-9164-5191"
+  doi: "10.1007/978-3-030-85713-4_6"
+  journal: "Lecture Notes in Computer Science"
+  month: 9
+  start: 54
+  end: 64
+  title: "STree: A Single Multi-class Oblique Decision Tree Based on Support Vector Machines"
+  volume: 12882
+  year: 2021

LICENSE

@@ -1,6 +1,6 @@
 MIT License
 
-Copyright (c) 2020 Doctorado-ML
+Copyright (c) 2020-2021, Ricardo Montañana Gómez
 
 Permission is hereby granted, free of charge, to any person obtaining a copy
 of this software and associated documentation files (the "Software"), to deal

Makefile

@@ -0,0 +1,56 @@
+SHELL := /bin/bash
+.DEFAULT_GOAL := help
+.PHONY: coverage deps help lint push test doc build
+
+coverage:  ## Run tests with coverage
+	coverage erase
+	coverage run -m unittest -v stree.tests
+	coverage report -m
+
+deps:  ## Install dependencies
+	pip install -r requirements.txt
+
+devdeps:  ## Install development dependencies
+	pip install black pip-audit flake8 mypy coverage
+
+lint:  ## Lint and static-check
+	black stree
+	flake8 stree
+	mypy stree
+
+push:  ## Push code with tags
+	git push && git push --tags
+
+test:  ## Run tests
+	python -m unittest -v stree.tests
+
+doc:  ## Update documentation
+	make -C docs --makefile=Makefile html
+
+build:  ## Build package
+	rm -fr dist/*
+	rm -fr build/*
+	python setup.py sdist bdist_wheel
+
+doc-clean:  ## Update documentation
+	make -C docs --makefile=Makefile clean
+
+audit: ## Audit pip
+	pip-audit
+
+help: ## Show help message
+	@IFS=$$'\n' ; \
+	help_lines=(`fgrep -h "##" $(MAKEFILE_LIST) | fgrep -v fgrep | sed -e 's/\\$$//' | sed -e 's/##/:/'`); \
+	printf "%s\n\n" "Usage: make [task]"; \
+	printf "%-20s %s\n" "task" "help" ; \
+	printf "%-20s %s\n" "------" "----" ; \
+	for help_line in $${help_lines[@]}; do \
+		IFS=$$':' ; \
+		help_split=($$help_line) ; \
+		help_command=`echo $${help_split[0]} | sed -e 's/^ *//' -e 's/ *$$//'` ; \
+		help_info=`echo $${help_split[2]} | sed -e 's/^ *//' -e 's/ *$$//'` ; \
+		printf '\033[36m'; \
+		printf "%-20s %s" $$help_command ; \
+		printf '\033[0m'; \
+		printf "%s\n" $$help_info; \
+	done

README.md

@@ -1,8 +1,12 @@
-[![Codeship Status for Doctorado-ML/STree](https://app.codeship.com/projects/8b2bd350-8a1b-0138-5f2c-3ad36f3eb318/status?branch=master)](https://app.codeship.com/projects/399170)
+![CI](https://github.com/Doctorado-ML/STree/workflows/CI/badge.svg)
 [![codecov](https://codecov.io/gh/doctorado-ml/stree/branch/master/graph/badge.svg)](https://codecov.io/gh/doctorado-ml/stree)
-[![Codacy Badge](https://app.codacy.com/project/badge/Grade/35fa3dfd53a24a339344b33d9f9f2f3d)](https://www.codacy.com/gh/Doctorado-ML/STree?utm_source=github.com&utm_medium=referral&utm_content=Doctorado-ML/STree&utm_campaign=Badge_Grade)
+[![Codacy Badge](https://app.codacy.com/project/badge/Grade/35fa3dfd53a24a339344b33d9f9f2f3d)](https://www.codacy.com/gh/Doctorado-ML/STree?utm_source=github.com&utm_medium=referral&utm_content=Doctorado-ML/STree&utm_campaign=Badge_Grade)
+[![Language grade: Python](https://img.shields.io/lgtm/grade/python/g/Doctorado-ML/STree.svg?logo=lgtm&logoWidth=18)](https://lgtm.com/projects/g/Doctorado-ML/STree/context:python)
+[![PyPI version](https://badge.fury.io/py/STree.svg)](https://badge.fury.io/py/STree)
+![https://img.shields.io/badge/python-3.8%2B-blue](https://img.shields.io/badge/python-3.8%2B-brightgreen)
+[![DOI](https://zenodo.org/badge/262658230.svg)](https://zenodo.org/badge/latestdoi/262658230)
 
-# Stree
+# STree
 
 Oblique Tree classifier based on SVM nodes. The nodes are built and splitted with sklearn SVC models. Stree is a sklearn estimator and can be integrated in pipelines, grid searches, etc.
 
@@ -14,30 +18,63 @@ Oblique Tree classifier based on SVM nodes. The nodes are built and splitted wit
 pip install git+https://github.com/doctorado-ml/stree
 ```
 
+## Documentation
+
+Can be found in [stree.readthedocs.io](https://stree.readthedocs.io/en/stable/)
+
 ## Examples
 
 ### Jupyter notebooks
 
-* [![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/Doctorado-ML/STree/master?urlpath=lab/tree/notebooks/benchmark.ipynb) Benchmark
+- [![benchmark](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/Doctorado-ML/STree/blob/master/notebooks/benchmark.ipynb) Benchmark
 
-* [![Test](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/Doctorado-ML/STree/blob/master/notebooks/benchmark.ipynb) Benchmark
+- [![features](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/Doctorado-ML/STree/blob/master/notebooks/features.ipynb) Some features
 
-* [![Test2](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/Doctorado-ML/STree/blob/master/notebooks/features.ipynb) Test features
+- [![Gridsearch](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/Doctorado-ML/STree/blob/master/notebooks/gridsearch.ipynb) Gridsearch
 
-* [![Adaboost](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/Doctorado-ML/STree/blob/master/notebooks/adaboost.ipynb) Adaboost
+- [![Ensemble](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/Doctorado-ML/STree/blob/master/notebooks/ensemble.ipynb) Ensembles
 
-* [![Gridsearch](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/Doctorado-ML/STree/blob/master/notebooks/gridsearch.ipynb) Gridsearch
+## Hyperparameters
 
-* [![Test Graphics](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/Doctorado-ML/STree/blob/master/notebooks/test_graphs.ipynb) Test Graphics
+|     | **Hyperparameter**  | **Type/Values**                                                | **Default** | **Meaning**                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                             |
+| --- | ------------------- | -------------------------------------------------------------- | ----------- | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
+| \*  | C                   | \<float\>                                                      | 1.0         | Regularization parameter. The strength of the regularization is inversely proportional to C. Must be strictly positive.                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                 |
+| \*  | kernel              | {"liblinear", "linear", "poly", "rbf", "sigmoid"}              | linear      | Specifies the kernel type to be used in the algorithm. It must be one of ‘liblinear’, ‘linear’, ‘poly’ or ‘rbf’. liblinear uses [liblinear](https://www.csie.ntu.edu.tw/~cjlin/liblinear/) library and the rest uses [libsvm](https://www.csie.ntu.edu.tw/~cjlin/libsvm/) library through scikit-learn library                                                                                                                                                                                                                                                                                                                          |
+| \*  | max_iter            | \<int\>                                                        | 1e5         | Hard limit on iterations within solver, or -1 for no limit.                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                             |
+| \*  | random_state        | \<int\>                                                        | None        | Controls the pseudo random number generation for shuffling the data for probability estimates. Ignored when probability is False.<br>Pass an int for reproducible output across multiple function calls                                                                                                                                                                                                                                                                                                                                                                                                                                 |
+|     | max_depth           | \<int\>                                                        | None        | Specifies the maximum depth of the tree                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                 |
+| \*  | tol                 | \<float\>                                                      | 1e-4        | Tolerance for stopping criterion.                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                       |
+| \*  | degree              | \<int\>                                                        | 3           | Degree of the polynomial kernel function (‘poly’). Ignored by all other kernels.                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                        |
+| \*  | gamma               | {"scale", "auto"} or \<float\>                                 | scale       | Kernel coefficient for ‘rbf’, ‘poly’ and ‘sigmoid’.<br>if gamma='scale' (default) is passed then it uses 1 / (n_features \* X.var()) as value of gamma,<br>if ‘auto’, uses 1 / n_features.                                                                                                                                                                                                                                                                                                                                                                                                                                              |
+|     | split_criteria      | {"impurity", "max_samples"}                                    | impurity    | Decides (just in case of a multi class classification) which column (class) use to split the dataset in a node\*\*. max_samples is incompatible with 'ovo' multiclass_strategy                                                                                                                                                                                                                                                                                                                                                                                                                                                          |
+|     | criterion           | {“gini”, “entropy”}                                            | entropy     | The function to measure the quality of a split (only used if max_features != num_features). <br>Supported criteria are “gini” for the Gini impurity and “entropy” for the information gain.                                                                                                                                                                                                                                                                                                                                                                                                                                             |
+|     | min_samples_split   | \<int\>                                                        | 0           | The minimum number of samples required to split an internal node. 0 (default) for any                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                   |
+|     | max_features        | \<int\>, \<float\> <br><br>or {“auto”, “sqrt”, “log2”}         | None        | The number of features to consider when looking for the split:<br>If int, then consider max_features features at each split.<br>If float, then max_features is a fraction and int(max_features \* n_features) features are considered at each split.<br>If “auto”, then max_features=sqrt(n_features).<br>If “sqrt”, then max_features=sqrt(n_features).<br>If “log2”, then max_features=log2(n_features).<br>If None, then max_features=n_features.                                                                                                                                                                                    |
+|     | splitter            | {"best", "random", "trandom", "mutual", "cfs", "fcbf", "iwss"} | "random"    | The strategy used to choose the feature set at each node (only used if max_features < num_features).
+Supported strategies are: **“best”**: sklearn SelectKBest algorithm is used in every node to choose the max_features best features. **“random”**: The algorithm generates 5 candidates and choose the best (max. info. gain) of them. **“trandom”**: The algorithm generates only one random combination. **"mutual"**: Chooses the best features w.r.t. their mutual info with the label. **"cfs"**: Apply Correlation-based Feature Selection. **"fcbf"**: Apply Fast Correlation-Based Filter. **"iwss"**: IWSS based algorithm |
+|     | normalize           | \<bool\>                                                       | False       | If standardization of features should be applied on each node with the samples that reach it                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                            |
+| \*  | multiclass_strategy | {"ovo", "ovr"}                                                 | "ovo"       | Strategy to use with multiclass datasets, **"ovo"**: one versus one. **"ovr"**: one versus rest                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                         |
 
-### Command line
+\* Hyperparameter used by the support vector classifier of every node
 
-```bash
-python main.py
-```
+\*\* **Splitting in a STree node**
+
+The decision function is applied to the dataset and distances from samples to hyperplanes are computed in a matrix. This matrix has as many columns as classes the samples belongs to (if more than two, i.e. multiclass classification) or 1 column if it's a binary class dataset. In binary classification only one hyperplane is computed and therefore only one column is needed to store the distances of the samples to it. If three or more classes are present in the dataset we need as many hyperplanes as classes are there, and therefore one column per hyperplane is needed.
+
+In case of multiclass classification we have to decide which column take into account to make the split, that depends on hyperparameter _split_criteria_, if "impurity" is chosen then STree computes information gain of every split candidate using each column and chooses the one that maximize the information gain, otherwise STree choses the column with more samples with a predicted class (the column with more positive numbers in it).
+
+Once we have the column to take into account for the split, the algorithm splits samples with positive distances to hyperplane from the rest.
 
 ## Tests
 
 ```bash
 python -m unittest -v stree.tests
 ```
+
+## License
+
+STree is [MIT](https://github.com/doctorado-ml/stree/blob/master/LICENSE) licensed
+
+## Reference
+
+R. Montañana, J. A. Gámez, J. M. Puerta, "STree: a single multi-class oblique decision tree based on support vector machines.", 2021 LNAI 12882, pg. 54-64

codecov.yml

@@ -1,12 +1,12 @@
-overage:
+coverage:
   status:
     project:
       default:
-        target: 90%
+        target: 100%
 comment:
   layout: "reach, diff, flags, files"
   behavior: default
-  require_changes: false  
+  require_changes: false
   require_base: yes
-  require_head: yes       
-  branches: null
+  require_head: yes
+  branches: null

docs/Makefile

@@ -0,0 +1,20 @@
+# Minimal makefile for Sphinx documentation
+#
+
+# You can set these variables from the command line, and also
+# from the environment for the first two.
+SPHINXOPTS    ?=
+SPHINXBUILD   ?= sphinx-build
+SOURCEDIR     = source
+BUILDDIR      = build
+
+# Put it first so that "make" without argument is like "make help".
+help:
+	@$(SPHINXBUILD) -M help "$(SOURCEDIR)" "$(BUILDDIR)" $(SPHINXOPTS) $(O)
+
+.PHONY: help Makefile
+
+# Catch-all target: route all unknown targets to Sphinx using the new
+# "make mode" option.  $(O) is meant as a shortcut for $(SPHINXOPTS).
+%: Makefile
+	@$(SPHINXBUILD) -M $@ "$(SOURCEDIR)" "$(BUILDDIR)" $(SPHINXOPTS) $(O)

docs/requirements.txt

@@ -0,0 +1,4 @@
+sphinx
+sphinx-rtd-theme
+myst-parser
+mufs

docs/source/api/Siterator.rst

@@ -0,0 +1,9 @@
+Siterator
+=========
+
+.. automodule:: Splitter
+.. autoclass:: Siterator
+    :members:
+    :undoc-members:
+    :private-members:
+    :show-inheritance:

docs/source/api/Snode.rst

@@ -0,0 +1,9 @@
+Snode
+=====
+
+.. automodule:: Splitter
+.. autoclass:: Snode
+    :members:
+    :undoc-members:
+    :private-members:
+    :show-inheritance:

docs/source/api/Splitter.rst

@@ -0,0 +1,9 @@
+Splitter
+========
+
+.. automodule:: Splitter
+.. autoclass:: Splitter
+    :members:
+    :undoc-members:
+    :private-members:
+    :show-inheritance:

docs/source/api/Stree.rst

@@ -0,0 +1,9 @@
+Stree
+=====
+
+.. automodule:: stree
+.. autoclass:: Stree
+    :members:
+    :undoc-members:
+    :private-members:
+    :show-inheritance:

docs/source/api/index.rst

@@ -0,0 +1,11 @@
+API index
+=========
+
+.. toctree::
+   :maxdepth: 2
+   :caption: Contents:
+
+   Stree
+   Siterator
+   Snode
+   Splitter

docs/source/conf.py

@@ -0,0 +1,56 @@
+# Configuration file for the Sphinx documentation builder.
+#
+# This file only contains a selection of the most common options. For a full
+# list see the documentation:
+# https://www.sphinx-doc.org/en/master/usage/configuration.html
+
+# -- Path setup --------------------------------------------------------------
+
+# If extensions (or modules to document with autodoc) are in another directory,
+# add these directories to sys.path here. If the directory is relative to the
+# documentation root, use os.path.abspath to make it absolute, like shown here.
+#
+import os
+import sys
+from stree._version import __version__
+
+sys.path.insert(0, os.path.abspath("../../stree/"))
+
+# -- Project information -----------------------------------------------------
+
+project = "STree"
+copyright = "2020 - 2022, Ricardo Montañana Gómez"
+author = "Ricardo Montañana Gómez"
+
+# The full version, including alpha/beta/rc tags
+version = __version__
+release = version
+
+
+# -- General configuration ---------------------------------------------------
+
+# Add any Sphinx extension module names here, as strings. They can be
+# extensions coming with Sphinx (named 'sphinx.ext.*') or your custom
+# ones.
+extensions = ["myst_parser", "sphinx.ext.autodoc", "sphinx.ext.viewcode"]
+
+# Add any paths that contain templates here, relative to this directory.
+templates_path = ["_templates"]
+
+# List of patterns, relative to source directory, that match files and
+# directories to ignore when looking for source files.
+# This pattern also affects html_static_path and html_extra_path.
+exclude_patterns = []
+
+
+# -- Options for HTML output -------------------------------------------------
+
+# The theme to use for HTML and HTML Help pages.  See the documentation for
+# a list of builtin themes.
+#
+html_theme = "sphinx_rtd_theme"
+
+# Add any paths that contain custom static files (such as style sheets) here,
+# relative to this directory. They are copied after the builtin static files,
+# so a file named "default.css" will overwrite the builtin "default.css".
+html_static_path = []

docs/source/example.md

@@ -0,0 +1,42 @@
+# Examples
+
+## Notebooks
+
+- [![benchmark](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/Doctorado-ML/STree/blob/master/notebooks/benchmark.ipynb) Benchmark
+
+- [![features](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/Doctorado-ML/STree/blob/master/notebooks/features.ipynb) Some features
+
+- [![Gridsearch](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/Doctorado-ML/STree/blob/master/notebooks/gridsearch.ipynb) Gridsearch
+
+- [![Ensemble](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/Doctorado-ML/STree/blob/master/notebooks/ensemble.ipynb) Ensembles
+
+## Sample Code
+
+```python
+import time
+from sklearn.model_selection import train_test_split
+from sklearn.datasets import load_iris
+from stree import Stree
+
+random_state = 1
+X, y = load_iris(return_X_y=True)
+Xtrain, Xtest, ytrain, ytest = train_test_split(
+    X, y, test_size=0.2, random_state=random_state
+)
+now = time.time()
+print("Predicting with max_features=sqrt(n_features)")
+clf = Stree(random_state=random_state, max_features="auto")
+clf.fit(Xtrain, ytrain)
+print(f"Took {time.time() - now:.2f} seconds to train")
+print(clf)
+print(f"Classifier's accuracy (train): {clf.score(Xtrain, ytrain):.4f}")
+print(f"Classifier's accuracy (test) : {clf.score(Xtest, ytest):.4f}")
+print("=" * 40)
+print("Predicting with max_features=n_features")
+clf = Stree(random_state=random_state)
+clf.fit(Xtrain, ytrain)
+print(f"Took {time.time() - now:.2f} seconds to train")
+print(clf)
+print(f"Classifier's accuracy (train): {clf.score(Xtrain, ytrain):.4f}")
+print(f"Classifier's accuracy (test) : {clf.score(Xtest, ytest):.4f}")
+```

docs/source/hyperparameters.md

@@ -0,0 +1,29 @@
+# Hyperparameters
+
+|     | **Hyperparameter**  | **Type/Values**                                                | **Default** | **Meaning**                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                             |
+| --- | ------------------- | -------------------------------------------------------------- | ----------- | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
+| \*  | C                   | \<float\>                                                      | 1.0         | Regularization parameter. The strength of the regularization is inversely proportional to C. Must be strictly positive.                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                 |
+| \*  | kernel              | {"liblinear", "linear", "poly", "rbf", "sigmoid"}              | linear      | Specifies the kernel type to be used in the algorithm. It must be one of ‘liblinear’, ‘linear’, ‘poly’ or ‘rbf’.<br>liblinear uses [liblinear](https://www.csie.ntu.edu.tw/~cjlin/liblinear/) library and the rest uses [libsvm](https://www.csie.ntu.edu.tw/~cjlin/libsvm/) library through scikit-learn library                                                                                                                                                                                                                                                                                                                          |
+| \*  | max_iter            | \<int\>                                                        | 1e5         | Hard limit on iterations within solver, or -1 for no limit.                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                             |
+| \*  | random_state        | \<int\>                                                        | None        | Controls the pseudo random number generation for shuffling the data for probability estimates. Ignored when probability is False.<br>Pass an int for reproducible output across multiple function calls                                                                                                                                                                                                                                                                                                                                                                                                                                 |
+|     | max_depth           | \<int\>                                                        | None        | Specifies the maximum depth of the tree                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                 |
+| \*  | tol                 | \<float\>                                                      | 1e-4        | Tolerance for stopping criterion.                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                       |
+| \*  | degree              | \<int\>                                                        | 3           | Degree of the polynomial kernel function (‘poly’). Ignored by all other kernels.                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                        |
+| \*  | gamma               | {"scale", "auto"} or \<float\>                                 | scale       | Kernel coefficient for ‘rbf’, ‘poly’ and ‘sigmoid’.<br>if gamma='scale' (default) is passed then it uses 1 / (n_features \* X.var()) as value of gamma,<br>if ‘auto’, uses 1 / n_features.                                                                                                                                                                                                                                                                                                                                                                                                                                              |
+|     | split_criteria      | {"impurity", "max_samples"}                                    | impurity    | Decides (just in case of a multi class classification) which column (class) use to split the dataset in a node\*\*.<br>max_samples is incompatible with 'ovo' multiclass_strategy                                                                                                                                                                                                                                                                                                                                                                                                                                                          |
+|     | criterion           | {“gini”, “entropy”}                                            | entropy     | The function to measure the quality of a split (only used if max_features != num_features).<br>Supported criteria are “gini” for the Gini impurity and “entropy” for the information gain.                                                                                                                                                                                                                                                                                                                                                                                                                                             |
+|     | min_samples_split   | \<int\>                                                        | 0           | The minimum number of samples required to split an internal node. 0 (default) for any                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                   |
+|     | max_features        | \<int\>, \<float\> <br><br>or {“auto”, “sqrt”, “log2”}         | None        | The number of features to consider when looking for the split:<br>If int, then consider max_features features at each split.<br>If float, then max_features is a fraction and int(max_features \* n_features) features are considered at each split.<br>If “auto”, then max_features=sqrt(n_features).<br>If “sqrt”, then max_features=sqrt(n_features).<br>If “log2”, then max_features=log2(n_features).<br>If None, then max_features=n_features.                                                                                                                                                                                    |
+|     | splitter            | {"best", "random", "trandom", "mutual", "cfs", "fcbf", "iwss"} | "random"    | The strategy used to choose the feature set at each node (only used if max_features < num_features).<br>Supported strategies are:<br>**“best”**: sklearn SelectKBest algorithm is used in every node to choose the max_features best features.<br>**“random”**: The algorithm generates 5 candidates and choose the best (max. info. gain) of them.<br>**“trandom”**: The algorithm generates only one random combination.<br>**"mutual"**: Chooses the best features w.r.t. their mutual info with the label.<br>**"cfs"**: Apply Correlation-based Feature Selection.<br>**"fcbf"**: Apply Fast Correlation-Based Filter.<br>**"iwss"**: IWSS based algorithm |
+|     | normalize           | \<bool\>                                                       | False       | If standardization of features should be applied on each node with the samples that reach it                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                            |
+| \*  | multiclass_strategy | {"ovo", "ovr"}                                                 | "ovo"       | Strategy to use with multiclass datasets:<br>**"ovo"**: one versus one.<br>**"ovr"**: one versus rest                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                         |
+
+\* Hyperparameter used by the support vector classifier of every node
+
+\*\* **Splitting in a STree node**
+
+The decision function is applied to the dataset and distances from samples to hyperplanes are computed in a matrix. This matrix has as many columns as classes the samples belongs to (if more than two, i.e. multiclass classification) or 1 column if it's a binary class dataset. In binary classification only one hyperplane is computed and therefore only one column is needed to store the distances of the samples to it. If three or more classes are present in the dataset we need as many hyperplanes as classes are there, and therefore one column per hyperplane is needed.
+
+In case of multiclass classification we have to decide which column take into account to make the split, that depends on hyperparameter _split_criteria_, if "impurity" is chosen then STree computes information gain of every split candidate using each column and chooses the one that maximize the information gain, otherwise STree choses the column with more samples with a predicted class (the column with more positive numbers in it).
+
+Once we have the column to take into account for the split, the algorithm splits samples with positive distances to hyperplane from the rest.

docs/source/index.rst

@@ -0,0 +1,15 @@
+Welcome to STree's documentation!
+=================================
+
+.. toctree::
+   :caption: Contents:
+   :titlesonly:
+
+
+   stree
+   install
+   hyperparameters
+   example
+   api/index
+
+* :ref:`genindex`

docs/source/install.rst

@@ -0,0 +1,16 @@
+Install
+=======
+
+The main stable release
+
+``pip install stree``
+
+or the last development branch
+
+``pip install git+https://github.com/doctorado-ml/stree``
+
+Tests
+*****
+
+
+``python -m unittest -v stree.tests``

docs/source/stree.md

@@ -0,0 +1,17 @@
+# STree
+
+![CI](https://github.com/Doctorado-ML/STree/workflows/CI/badge.svg)
+[![codecov](https://codecov.io/gh/doctorado-ml/stree/branch/master/graph/badge.svg)](https://codecov.io/gh/doctorado-ml/stree)
+[![Codacy Badge](https://app.codacy.com/project/badge/Grade/35fa3dfd53a24a339344b33d9f9f2f3d)](https://www.codacy.com/gh/Doctorado-ML/STree?utm_source=github.com&utm_medium=referral&utm_content=Doctorado-ML/STree&utm_campaign=Badge_Grade)
+[![Language grade: Python](https://img.shields.io/lgtm/grade/python/g/Doctorado-ML/STree.svg?logo=lgtm&logoWidth=18)](https://lgtm.com/projects/g/Doctorado-ML/STree/context:python)
+[![PyPI version](https://badge.fury.io/py/STree.svg)](https://badge.fury.io/py/STree)
+![https://img.shields.io/badge/python-3.8%2B-blue](https://img.shields.io/badge/python-3.8%2B-brightgreen)
+[![DOI](https://zenodo.org/badge/262658230.svg)](https://zenodo.org/badge/latestdoi/262658230)
+
+Oblique Tree classifier based on SVM nodes. The nodes are built and splitted with sklearn SVC models. Stree is a sklearn estimator and can be integrated in pipelines, grid searches, etc.
+
+![Stree](./example.png)
+
+## License
+
+STree is [MIT](https://github.com/doctorado-ml/stree/blob/master/LICENSE) licensed

main.py

@@ -1,29 +0,0 @@
-import time
-from sklearn.model_selection import train_test_split
-from sklearn.datasets import load_iris
-from stree import Stree
-
-random_state = 1
-
-X, y = load_iris(return_X_y=True)
-
-Xtrain, Xtest, ytrain, ytest = train_test_split(
-    X, y, test_size=0.2, random_state=random_state
-)
-
-now = time.time()
-print("Predicting with max_features=sqrt(n_features)")
-clf = Stree(C=0.01, random_state=random_state, max_features="auto")
-clf.fit(Xtrain, ytrain)
-print(f"Took {time.time() - now:.2f} seconds to train")
-print(clf)
-print(f"Classifier's accuracy (train): {clf.score(Xtrain, ytrain):.4f}")
-print(f"Classifier's accuracy (test) : {clf.score(Xtest, ytest):.4f}")
-print("=" * 40)
-print("Predicting with max_features=n_features")
-clf = Stree(C=0.01, random_state=random_state)
-clf.fit(Xtrain, ytrain)
-print(f"Took {time.time() - now:.2f} seconds to train")
-print(clf)
-print(f"Classifier's accuracy (train): {clf.score(Xtrain, ytrain):.4f}")
-print(f"Classifier's accuracy (test) : {clf.score(Xtest, ytest):.4f}")

notebooks/benchmark.ipynb

@@ -17,39 +17,42 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 3,
+   "execution_count": null,
    "metadata": {},
    "outputs": [],
    "source": [
     "#\n",
     "# Google Colab setup\n",
     "#\n",
-    "#!pip install git+https://github.com/doctorado-ml/stree"
+    "#!pip install git+https://github.com/doctorado-ml/stree\n",
+    "!pip install pandas"
    ]
   },
   {
    "cell_type": "code",
-   "execution_count": 4,
+   "execution_count": null,
    "metadata": {},
    "outputs": [],
    "source": [
     "import datetime, time\n",
+    "import os\n",
     "import numpy as np\n",
     "import pandas as pd\n",
     "from sklearn.model_selection import train_test_split\n",
-    "from sklearn import tree\n",
     "from sklearn.metrics import classification_report, confusion_matrix, f1_score\n",
-    "from sklearn.ensemble import RandomForestClassifier, AdaBoostClassifier, GradientBoostingClassifier\n",
+    "from sklearn.tree import DecisionTreeClassifier\n",
+    "from sklearn.naive_bayes import GaussianNB\n",
+    "from sklearn.neural_network import MLPClassifier\n",
+    "from sklearn.svm import LinearSVC\n",
     "from stree import Stree"
    ]
   },
   {
    "cell_type": "code",
-   "execution_count": 5,
+   "execution_count": null,
    "metadata": {},
    "outputs": [],
    "source": [
-    "import os\n",
     "if not os.path.isfile('data/creditcard.csv'):\n",
     "    !wget --no-check-certificate --content-disposition http://nube.jccm.es/index.php/s/Zs7SYtZQJ3RQ2H2/download\n",
     "    !tar xzf creditcard.tgz"
@@ -64,15 +67,11 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 6,
-   "metadata": {},
-   "outputs": [
-    {
-     "output_type": "stream",
-     "name": "stdout",
-     "text": "2020-06-15 10:17:17\n"
-    }
-   ],
+   "execution_count": null,
+   "metadata": {
+    "tags": []
+   },
+   "outputs": [],
    "source": [
     "print(datetime.date.today(), time.strftime(\"%H:%M:%S\"))"
    ]
@@ -86,7 +85,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 7,
+   "execution_count": null,
    "metadata": {},
    "outputs": [],
    "source": [
@@ -98,15 +97,11 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 8,
-   "metadata": {},
-   "outputs": [
-    {
-     "output_type": "stream",
-     "name": "stdout",
-     "text": "Fraud: 0.173% 492\nValid: 99.827% 284,315\n"
-    }
-   ],
+   "execution_count": null,
+   "metadata": {
+    "tags": []
+   },
+   "outputs": [],
    "source": [
     "print(\"Fraud: {0:.3f}% {1}\".format(df.Class[df.Class == 1].count()*100/df.shape[0], df.Class[df.Class == 1].count()))\n",
     "print(\"Valid: {0:.3f}% {1:,}\".format(df.Class[df.Class == 0].count()*100/df.shape[0], df.Class[df.Class == 0].count()))"
@@ -114,7 +109,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 9,
+   "execution_count": null,
    "metadata": {},
    "outputs": [],
    "source": [
@@ -126,15 +121,11 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 10,
-   "metadata": {},
-   "outputs": [
-    {
-     "output_type": "stream",
-     "name": "stdout",
-     "text": "X shape: (284807, 29)\ny shape: (284807,)\n"
-    }
-   ],
+   "execution_count": null,
+   "metadata": {
+    "tags": []
+   },
+   "outputs": [],
    "source": [
     "# Remove unneeded features\n",
     "y = df.Class.values\n",
@@ -151,7 +142,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 11,
+   "execution_count": null,
    "metadata": {},
    "outputs": [],
    "source": [
@@ -162,52 +153,52 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 12,
+   "execution_count": null,
    "metadata": {},
    "outputs": [],
    "source": [
     "# Linear Tree\n",
-    "linear_tree = tree.DecisionTreeClassifier(random_state=random_state)"
+    "linear_tree = DecisionTreeClassifier(random_state=random_state)"
    ]
   },
   {
    "cell_type": "code",
-   "execution_count": 13,
+   "execution_count": null,
    "metadata": {},
    "outputs": [],
    "source": [
-    "# Random Forest\n",
-    "random_forest = RandomForestClassifier(random_state=random_state)"
+    "# Naive Bayes\n",
+    "naive_bayes = GaussianNB()"
    ]
   },
   {
    "cell_type": "code",
-   "execution_count": 14,
+   "execution_count": null,
    "metadata": {},
    "outputs": [],
    "source": [
     "# Stree\n",
-    "stree = Stree(random_state=random_state, C=.01)"
+    "stree = Stree(random_state=random_state, C=.01, max_iter=1e3, kernel=\"liblinear\", multiclass_strategy=\"ovr\")"
    ]
   },
   {
    "cell_type": "code",
-   "execution_count": 15,
+   "execution_count": null,
    "metadata": {},
    "outputs": [],
    "source": [
-    "# AdaBoost\n",
-    "adaboost = AdaBoostClassifier(random_state=random_state)"
+    "# Neural Network\n",
+    "mlp = MLPClassifier(random_state=random_state, alpha=1)"
    ]
   },
   {
    "cell_type": "code",
-   "execution_count": 16,
+   "execution_count": null,
    "metadata": {},
    "outputs": [],
    "source": [
-    "# Gradient Boosting\n",
-    "gradient = GradientBoostingClassifier(random_state=random_state)"
+    "# SVC (linear)\n",
+    "svc = LinearSVC(random_state=random_state, C=.01, max_iter=1e3)"
    ]
   },
   {
@@ -219,7 +210,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 17,
+   "execution_count": null,
    "metadata": {},
    "outputs": [],
    "source": [
@@ -244,20 +235,16 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 18,
-   "metadata": {},
-   "outputs": [
-    {
-     "output_type": "stream",
-     "name": "stdout",
-     "text": "************************** Linear Tree **********************\nTrain Model Linear Tree took: 13.91 seconds\n=========== Linear Tree - Train 199,364 samples =============\n              precision    recall  f1-score   support\n\n           0   1.000000  1.000000  1.000000    199020\n           1   1.000000  1.000000  1.000000       344\n\n    accuracy                       1.000000    199364\n   macro avg   1.000000  1.000000  1.000000    199364\nweighted avg   1.000000  1.000000  1.000000    199364\n\n=========== Linear Tree - Test 85,443 samples =============\n              precision    recall  f1-score   support\n\n           0   0.999578  0.999613  0.999596     85295\n           1   0.772414  0.756757  0.764505       148\n\n    accuracy                       0.999192     85443\n   macro avg   0.885996  0.878185  0.882050     85443\nweighted avg   0.999184  0.999192  0.999188     85443\n\nConfusion Matrix in Train\n[[199020      0]\n [     0    344]]\nConfusion Matrix in Test\n[[85262    33]\n [   36   112]]\n************************** Random Forest **********************\nTrain Model Random Forest took: 173.1 seconds\n=========== Random Forest - Train 199,364 samples =============\n              precision    recall  f1-score   support\n\n           0   1.000000  1.000000  1.000000    199020\n           1   1.000000  1.000000  1.000000       344\n\n    accuracy                       1.000000    199364\n   macro avg   1.000000  1.000000  1.000000    199364\nweighted avg   1.000000  1.000000  1.000000    199364\n\n=========== Random Forest - Test 85,443 samples =============\n              precision    recall  f1-score   support\n\n           0   0.999660  0.999965  0.999812     85295\n           1   0.975410  0.804054  0.881481       148\n\n    accuracy                       0.999625     85443\n   macro avg   0.987535  0.902009  0.940647     85443\nweighted avg   0.999618  0.999625  0.999607     85443\n\nConfusion Matrix in Train\n[[199020      0]\n [     0    344]]\nConfusion Matrix in Test\n[[85292     3]\n [   29   119]]\n************************** Stree (SVM Tree) **********************\nTrain Model Stree (SVM Tree) took: 38.4 seconds\n=========== Stree (SVM Tree) - Train 199,364 samples =============\n              precision    recall  f1-score   support\n\n           0   0.999623  0.999864  0.999744    199020\n           1   0.908784  0.781977  0.840625       344\n\n    accuracy                       0.999488    199364\n   macro avg   0.954204  0.890921  0.920184    199364\nweighted avg   0.999467  0.999488  0.999469    199364\n\n=========== Stree (SVM Tree) - Test 85,443 samples =============\n              precision    recall  f1-score   support\n\n           0   0.999637  0.999918  0.999777     85295\n           1   0.943548  0.790541  0.860294       148\n\n    accuracy                       0.999555     85443\n   macro avg   0.971593  0.895229  0.930036     85443\nweighted avg   0.999540  0.999555  0.999536     85443\n\nConfusion Matrix in Train\n[[198993     27]\n [    75    269]]\nConfusion Matrix in Test\n[[85288     7]\n [   31   117]]\n************************** AdaBoost model **********************\nTrain Model AdaBoost model took: 47.21 seconds\n=========== AdaBoost model - Train 199,364 samples =============\n              precision    recall  f1-score   support\n\n           0   0.999392  0.999678  0.999535    199020\n           1   0.777003  0.648256  0.706815       344\n\n    accuracy                       0.999072    199364\n   macro avg   0.888198  0.823967  0.853175    199364\nweighted avg   0.999008  0.999072  0.999030    199364\n\n=========== AdaBoost model - Test 85,443 samples =============\n              precision    recall  f1-score   support\n\n           0   0.999484  0.999707  0.999596     85295\n           1   0.806202  0.702703  0.750903       148\n\n    accuracy                       0.999192     85443\n   macro avg   0.902843  0.851205  0.875249     85443\nweighted avg   0.999149  0.999192  0.999165     85443\n\nConfusion Matrix in Train\n[[198956     64]\n [   121    223]]\nConfusion Matrix in Test\n[[85270    25]\n [   44   104]]\n"
-    }
-   ],
+   "execution_count": null,
+   "metadata": {
+    "tags": []
+   },
+   "outputs": [],
    "source": [
     "# Train & Test models\n",
     "models = {\n",
-    "    'Linear Tree':linear_tree, 'Random Forest': random_forest, 'Stree (SVM Tree)': stree,  \n",
-    "    'AdaBoost model': adaboost\n",
+    "    'Linear Tree':linear_tree, 'Naive Bayes': naive_bayes, 'Stree    ': stree,  \n",
+    "    'Neural Network': mlp, 'SVC (linear)': svc\n",
     "}\n",
     "\n",
     "best_f1 = 0\n",
@@ -273,15 +260,11 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 19,
-   "metadata": {},
-   "outputs": [
-    {
-     "output_type": "stream",
-     "name": "stdout",
-     "text": "**************************************************************************************************************\n*The best f1 model is Random Forest, with a f1 score: 0.8815 in 173.095 seconds with 0.7 samples in train dataset\n**************************************************************************************************************\nModel: Linear Tree\t Time:  13.91 seconds\t f1: 0.7645\nModel: Random Forest\t Time: 173.09 seconds\t f1: 0.8815\nModel: Stree (SVM Tree)\t Time:  38.40 seconds\t f1: 0.8603\nModel: AdaBoost model\t Time:  47.21 seconds\t f1: 0.7509\n"
-    }
-   ],
+   "execution_count": null,
+   "metadata": {
+    "tags": []
+   },
+   "outputs": [],
    "source": [
     "print(\"*\"*110)\n",
     "print(f\"*The best f1 model is {best_model}, with a f1 score: {best_f1:.4} in {best_time:.6} seconds with {train_size:,} samples in train dataset\")\n",
@@ -295,39 +278,31 @@
    "metadata": {},
    "source": [
     "**************************************************************************************************************\n",
-    "*The best f1 model is Random Forest, with a f1 score: 0.8815 in 152.54 seconds with 0.7 samples in train dataset\n",
+    "*The best f1 model is Stree (SVM Tree), with a f1 score: 0.8603 in 28.4743 seconds with 0.7 samples in train dataset\n",
     "**************************************************************************************************************\n",
-    "Model: Linear Tree\t Time:  13.52 seconds\t f1: 0.7645\n",
-    "Model: Random Forest\t Time: 152.54 seconds\t f1: 0.8815\n",
-    "Model: Stree (SVM Tree)\t Time:  32.55 seconds\t f1: 0.8603\n",
-    "Model: AdaBoost model\t Time:  47.34 seconds\t f1: 0.7509\n",
-    "Model: Gradient Boost.\t Time: 244.12 seconds\t f1: 0.5259"
+    "Model: Linear Tree\t Time:  10.25 seconds\t f1: 0.7645\n",
+    "Model: Naive Bayes\t Time:   0.10 seconds\t f1: 0.1154\n",
+    "Model: Stree (SVM Tree)\t Time:  28.47 seconds\t f1: 0.8603\n",
+    "Model: Neural Network\t Time:   9.76 seconds\t f1: 0.7381\n",
+    "Model: SVC (linear)\t Time:   8.21 seconds\t f1: 0.739"
    ]
   },
   {
-   "cell_type": "markdown",
+   "cell_type": "code",
+   "execution_count": null,
    "metadata": {},
+   "outputs": [],
    "source": [
-    "```\n",
-    "******************************************************************************************************************\n",
-    "*The best f1 model is Random Forest, with a f1 score: 0.8815 in 218.966 seconds with 0.7 samples in train dataset\n",
-    "******************************************************************************************************************\n",
-    "Model: Linear Tree       Time:  23.05 seconds\t f1: 0.7645\n",
-    "Model: Random Forest\t Time: 218.97 seconds\t f1: 0.8815\n",
-    "Model: Stree (SVM Tree)\t Time:  49.45 seconds\t f1: 0.8467\n",
-    "Model: AdaBoost model\t Time:  73.83 seconds\t f1: 0.7509\n",
-    "Model: Gradient Boost.\t Time: 388.69 seconds\t f1: 0.5259\n",
-    "Model: Neural Network\t Time:  25.47 seconds\t f1: 0.8328\n",
-    "```"
+    "stree.get_params()"
    ]
   }
  ],
  "metadata": {
   "hide_input": false,
   "kernelspec": {
-   "display_name": "Python 3.7.6 64-bit ('general': venv)",
+   "display_name": "Python 3",
    "language": "python",
-   "name": "python37664bitgeneralvenvfbd0a23e74cf4e778460f5ffc6761f39"
+   "name": "python3"
   },
   "language_info": {
    "codemirror_mode": {
@@ -339,7 +314,7 @@
    "name": "python",
    "nbconvert_exporter": "python",
    "pygments_lexer": "ipython3",
-   "version": "3.7.6-final"
+   "version": "3.8.2-final"
   },
   "toc": {
    "base_numbering": 1,
@@ -393,4 +368,4 @@
  },
  "nbformat": 4,
  "nbformat_minor": 4
-}
+}

notebooks/ensemble.ipynb

@@ -4,7 +4,7 @@
    "cell_type": "markdown",
    "metadata": {},
    "source": [
-    "# Test AdaBoost with different configurations"
+    "# Test Stree with AdaBoost and Bagging with different configurations"
    ]
   },
   {
@@ -17,38 +17,43 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 1,
+   "execution_count": null,
    "metadata": {},
    "outputs": [],
    "source": [
     "#\n",
     "# Google Colab setup\n",
     "#\n",
-    "#!pip install git+https://github.com/doctorado-ml/stree"
+    "#!pip install git+https://github.com/doctorado-ml/stree\n",
+    "!pip install pandas"
    ]
   },
   {
    "cell_type": "code",
-   "execution_count": 2,
+   "execution_count": null,
    "metadata": {},
    "outputs": [],
    "source": [
     "import time\n",
-    "from sklearn.ensemble import AdaBoostClassifier\n",
-    "from sklearn.tree import DecisionTreeClassifier\n",
-    "from sklearn.svm import LinearSVC, SVC\n",
-    "from sklearn.model_selection import GridSearchCV, train_test_split\n",
-    "from sklearn.datasets import load_iris\n",
-    "from stree import Stree"
+    "import os\n",
+    "import random\n",
+    "import warnings\n",
+    "import pandas as pd\n",
+    "import numpy as np\n",
+    "from sklearn.ensemble import AdaBoostClassifier, BaggingClassifier\n",
+    "from sklearn.model_selection import train_test_split\n",
+    "from sklearn.exceptions import ConvergenceWarning\n",
+    "from stree import Stree\n",
+    "\n",
+    "warnings.filterwarnings(\"ignore\", category=ConvergenceWarning)"
    ]
   },
   {
    "cell_type": "code",
-   "execution_count": 3,
+   "execution_count": null,
    "metadata": {},
    "outputs": [],
    "source": [
-    "import os\n",
     "if not os.path.isfile('data/creditcard.csv'):\n",
     "    !wget --no-check-certificate --content-disposition http://nube.jccm.es/index.php/s/Zs7SYtZQJ3RQ2H2/download\n",
     "    !tar xzf creditcard.tgz"
@@ -56,22 +61,15 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 4,
-   "metadata": {},
-   "outputs": [
-    {
-     "output_type": "stream",
-     "name": "stdout",
-     "text": "Fraud: 0.173% 492\nValid: 99.827% 284315\nX.shape (100492, 28)  y.shape (100492,)\nFraud: 0.659% 662\nValid: 99.341% 99830\n"
-    }
-   ],
+   "execution_count": null,
+   "metadata": {
+    "tags": []
+   },
+   "outputs": [],
    "source": [
     "random_state=1\n",
     "\n",
     "def load_creditcard(n_examples=0):\n",
-    "    import pandas as pd\n",
-    "    import numpy as np\n",
-    "    import random\n",
     "    df = pd.read_csv('data/creditcard.csv')\n",
     "    print(\"Fraud: {0:.3f}% {1}\".format(df.Class[df.Class == 1].count()*100/df.shape[0], df.Class[df.Class == 1].count()))\n",
     "    print(\"Valid: {0:.3f}% {1}\".format(df.Class[df.Class == 0].count()*100/df.shape[0], df.Class[df.Class == 0].count()))\n",
@@ -117,23 +115,19 @@
    "cell_type": "markdown",
    "metadata": {},
    "source": [
-    "## STree alone on the whole dataset and linear kernel"
+    "## STree alone with 100.000 samples and linear kernel"
    ]
   },
   {
    "cell_type": "code",
-   "execution_count": 5,
-   "metadata": {},
-   "outputs": [
-    {
-     "output_type": "stream",
-     "name": "stdout",
-     "text": "Score Train:  0.9985499829409757\nScore Test:  0.998407854584052\nTook 39.45 seconds\n"
-    }
-   ],
+   "execution_count": null,
+   "metadata": {
+    "tags": []
+   },
+   "outputs": [],
    "source": [
     "now = time.time()\n",
-    "clf = Stree(max_depth=3, random_state=random_state)\n",
+    "clf = Stree(max_depth=3, random_state=random_state, max_iter=1e3)\n",
     "clf.fit(Xtrain, ytrain)\n",
     "print(\"Score Train: \", clf.score(Xtrain, ytrain))\n",
     "print(\"Score Test: \", clf.score(Xtest, ytest))\n",
@@ -144,12 +138,12 @@
    "cell_type": "markdown",
    "metadata": {},
    "source": [
-    "## Different kernels with different configuations"
+    "## Adaboost"
    ]
   },
   {
    "cell_type": "code",
-   "execution_count": 6,
+   "execution_count": null,
    "metadata": {},
    "outputs": [],
    "source": [
@@ -160,19 +154,15 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 7,
-   "metadata": {},
-   "outputs": [
-    {
-     "output_type": "stream",
-     "name": "stdout",
-     "text": "Kernel: linear\tTime: 87.00 seconds\tScore Train: 0.9982372\tScore Test: 0.9981425\nKernel: rbf\tTime: 60.60 seconds\tScore Train: 0.9934181\tScore Test: 0.9933992\nKernel: poly\tTime: 88.08 seconds\tScore Train: 0.9937450\tScore Test: 0.9938968\n"
-    }
-   ],
+   "execution_count": null,
+   "metadata": {
+    "tags": []
+   },
+   "outputs": [],
    "source": [
     "for kernel in ['linear', 'rbf', 'poly']:\n",
     "    now = time.time()\n",
-    "    clf = AdaBoostClassifier(Stree(C=7, kernel=kernel, max_depth=max_depth, random_state=random_state), n_estimators=n_estimators, random_state=random_state)\n",
+    "    clf = AdaBoostClassifier(base_estimator=Stree(C=C, kernel=kernel, max_depth=max_depth, random_state=random_state, max_iter=1e3), algorithm=\"SAMME\", n_estimators=n_estimators, random_state=random_state)\n",
     "    clf.fit(Xtrain, ytrain)\n",
     "    score_train = clf.score(Xtrain, ytrain)\n",
     "    score_test = clf.score(Xtest, ytest)\n",
@@ -183,24 +173,31 @@
    "cell_type": "markdown",
    "metadata": {},
    "source": [
-    "## Test algorithm SAMME in AdaBoost to check speed/accuracy"
+    "## Bagging"
    ]
   },
   {
    "cell_type": "code",
-   "execution_count": 8,
+   "execution_count": null,
    "metadata": {},
-   "outputs": [
-    {
-     "output_type": "stream",
-     "name": "stdout",
-     "text": "Kernel: linear\tTime: 58.75 seconds\tScore Train: 0.9980524\tScore Test: 0.9978771\nKernel: rbf\tTime: 12.49 seconds\tScore Train: 0.9934181\tScore Test: 0.9933992\nKernel: poly\tTime: 97.85 seconds\tScore Train: 0.9972137\tScore Test: 0.9971806\n"
-    }
-   ],
+   "outputs": [],
+   "source": [
+    "n_estimators = 10\n",
+    "C = 7\n",
+    "max_depth = 3"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {
+    "tags": []
+   },
+   "outputs": [],
    "source": [
     "for kernel in ['linear', 'rbf', 'poly']:\n",
     "    now = time.time()\n",
-    "    clf = AdaBoostClassifier(Stree(C=7, kernel=kernel, max_depth=max_depth, random_state=random_state), n_estimators=n_estimators, random_state=random_state, algorithm=\"SAMME\")\n",
+    "    clf = BaggingClassifier(base_estimator=Stree(C=C, kernel=kernel, max_depth=max_depth, random_state=random_state, max_iter=1e3), n_estimators=n_estimators, random_state=random_state)\n",
     "    clf.fit(Xtrain, ytrain)\n",
     "    score_train = clf.score(Xtrain, ytrain)\n",
     "    score_test = clf.score(Xtest, ytest)\n",
@@ -209,6 +206,11 @@
   }
  ],
  "metadata": {
+  "kernelspec": {
+   "display_name": "Python 3",
+   "language": "python",
+   "name": "python3"
+  },
   "language_info": {
    "codemirror_mode": {
     "name": "ipython",
@@ -219,14 +221,9 @@
    "name": "python",
    "nbconvert_exporter": "python",
    "pygments_lexer": "ipython3",
-   "version": "3.7.6-final"
-  },
-  "orig_nbformat": 2,
-  "kernelspec": {
-   "name": "python37664bitgeneralvenvfbd0a23e74cf4e778460f5ffc6761f39",
-   "display_name": "Python 3.7.6 64-bit ('general': venv)"
+   "version": "3.8.2-final"
   }
  },
  "nbformat": 4,
- "nbformat_minor": 2
+ "nbformat_minor": 4
 }

notebooks/features.ipynb

@@ -4,7 +4,7 @@
    "cell_type": "markdown",
    "metadata": {},
    "source": [
-    "# Test smple_weight, kernels, C, sklearn estimator"
+    "# Test sample_weight, kernels, C, sklearn estimator"
    ]
   },
   {
@@ -17,22 +17,27 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 1,
+   "execution_count": null,
    "metadata": {},
    "outputs": [],
    "source": [
     "#\n",
     "# Google Colab setup\n",
     "#\n",
-    "#!pip install git+https://github.com/doctorado-ml/stree"
+    "#!pip install git+https://github.com/doctorado-ml/stree\n",
+    "!pip install pandas"
    ]
   },
   {
    "cell_type": "code",
-   "execution_count": 2,
+   "execution_count": null,
    "metadata": {},
    "outputs": [],
    "source": [
+    "import time\n",
+    "import random\n",
+    "import warnings\n",
+    "import os\n",
     "import numpy as np\n",
     "import pandas as pd\n",
     "from sklearn.svm import SVC\n",
@@ -40,17 +45,20 @@
     "from sklearn.utils.estimator_checks import check_estimator\n",
     "from sklearn.datasets import make_classification, load_iris, load_wine\n",
     "from sklearn.model_selection import train_test_split\n",
+    "from sklearn.utils.class_weight import compute_sample_weight\n",
+    "from sklearn.exceptions import ConvergenceWarning\n",
     "from stree import Stree\n",
-    "import time"
+    "warnings.filterwarnings(\"ignore\", category=ConvergenceWarning)"
    ]
   },
   {
    "cell_type": "code",
-   "execution_count": 3,
-   "metadata": {},
+   "execution_count": null,
+   "metadata": {
+    "tags": []
+   },
    "outputs": [],
    "source": [
-    "import os\n",
     "if not os.path.isfile('data/creditcard.csv'):\n",
     "    !wget --no-check-certificate --content-disposition http://nube.jccm.es/index.php/s/Zs7SYtZQJ3RQ2H2/download\n",
     "    !tar xzf creditcard.tgz"
@@ -58,22 +66,15 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 4,
-   "metadata": {},
-   "outputs": [
-    {
-     "output_type": "stream",
-     "name": "stdout",
-     "text": "Fraud: 0.173% 492\nValid: 99.827% 284315\nX.shape (1492, 28)  y.shape (1492,)\nFraud: 33.244% 496\nValid: 66.756% 996\n"
-    }
-   ],
+   "execution_count": null,
+   "metadata": {
+    "tags": []
+   },
+   "outputs": [],
    "source": [
     "random_state=1\n",
     "\n",
     "def load_creditcard(n_examples=0):\n",
-    "    import pandas as pd\n",
-    "    import numpy as np\n",
-    "    import random\n",
     "    df = pd.read_csv('data/creditcard.csv')\n",
     "    print(\"Fraud: {0:.3f}% {1}\".format(df.Class[df.Class == 1].count()*100/df.shape[0], df.Class[df.Class == 1].count()))\n",
     "    print(\"Valid: {0:.3f}% {1}\".format(df.Class[df.Class == 0].count()*100/df.shape[0], df.Class[df.Class == 0].count()))\n",
@@ -94,22 +95,20 @@
     "    print(\"X.shape\", X.shape, \" y.shape\", y.shape)\n",
     "    print(\"Fraud: {0:.3f}% {1}\".format(len(y[y == 1])*100/X.shape[0], len(y[y == 1])))\n",
     "    print(\"Valid: {0:.3f}% {1}\".format(len(y[y == 0]) * 100 / X.shape[0], len(y[y == 0])))\n",
-    "    Xtrain, Xtest, ytrain, ytest = train_test_split(X, y, train_size=0.7, shuffle=True, random_state=random_state, stratify=y)\n",
+    "    Xtrain, Xtest, ytrain, ytest = train_test_split(X, y, train_size=0.7, shuffle=True, random_state=random_state)\n",
     "    return Xtrain, Xtest, ytrain, ytest\n",
     "\n",
-    "# data = load_creditcard(-5000) # Take all true samples + 5000 of the others\n",
+    "data = load_creditcard(-5000) # Take all true samples with up to 5000 of the others\n",
     "# data = load_creditcard(5000)  # Take the first 5000 samples\n",
-    "data = load_creditcard(-1000) # Take all the samples\n",
+    "# data = load_creditcard(-1000) # Take 1000 samples\n",
     "\n",
     "Xtrain = data[0]\n",
     "Xtest = data[1]\n",
     "ytrain = data[2]\n",
     "ytest = data[3]\n",
-    "# Set weights inverse to its count class in dataset\n",
-    "weights = np.ones(Xtrain.shape[0],) * 1.00244\n",
-    "weights[ytrain==1] = 1.99755\n",
-    "weights_test = np.ones(Xtest.shape[0],) * 1.00244\n",
-    "weights_test[ytest==1] = 1.99755 "
+    "weights = compute_sample_weight(\"balanced\", ytrain)\n",
+    "weights_test = compute_sample_weight(\"balanced\", ytest)\n",
+    "print(weights[:4], weights_test[:4])"
    ]
   },
   {
@@ -123,21 +122,17 @@
    "cell_type": "markdown",
    "metadata": {},
    "source": [
-    "## Test smple_weights\n",
+    "## Test sample_weights\n",
     "Compute accuracy with weights in samples. The weights are set based on the inverse of the number of samples of each class"
    ]
   },
   {
    "cell_type": "code",
-   "execution_count": 5,
-   "metadata": {},
-   "outputs": [
-    {
-     "output_type": "stream",
-     "name": "stdout",
-     "text": "Accuracy of Train without weights 0.9808429118773946\nAccuracy of Train with    weights 0.9904214559386973\nAccuracy of Tests without weights 0.9441964285714286\nAccuracy of Tests with    weights 0.9375\n"
-    }
-   ],
+   "execution_count": null,
+   "metadata": {
+    "tags": []
+   },
+   "outputs": [],
    "source": [
     "C = 23\n",
     "print(\"Accuracy of Train without weights\", Stree(C=C, random_state=1).fit(Xtrain, ytrain).score(Xtrain, ytrain))\n",
@@ -156,15 +151,11 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 6,
-   "metadata": {},
-   "outputs": [
-    {
-     "output_type": "stream",
-     "name": "stdout",
-     "text": "Time: 0.13s\tKernel: linear\tAccuracy_train: 0.9693486590038314\tAccuracy_test: 0.9598214285714286\nTime: 0.09s\tKernel: rbf\tAccuracy_train: 0.9923371647509579\tAccuracy_test: 0.953125\nTime: 0.09s\tKernel: poly\tAccuracy_train: 0.9913793103448276\tAccuracy_test: 0.9375\n"
-    }
-   ],
+   "execution_count": null,
+   "metadata": {
+    "tags": []
+   },
+   "outputs": [],
    "source": [
     "random_state=1\n",
     "for kernel in ['linear', 'rbf', 'poly']:\n",
@@ -185,19 +176,11 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 7,
+   "execution_count": null,
    "metadata": {
-    "tags": [
-     "outputPrepend"
-    ]
+    "tags": []
    },
-   "outputs": [
-    {
-     "output_type": "stream",
-     "name": "stdout",
-     "text": "************** C=0.001 ****************************\nClassifier's accuracy (train): 0.9588\nClassifier's accuracy (test) : 0.9487\nroot feaures=(0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27) impurity=0.4438\nroot - Down feaures=(0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27) impurity=0.0374\nroot - Down - Down, <cgaf> - Leaf class=1 belief= 0.984076 impurity=0.0313 counts=(array([0, 1]), array([  5, 309]))\nroot - Down - Up, <pure> - Leaf class=0 belief= 1.000000 impurity=0.0000 counts=(array([0]), array([1]))\nroot - Up, <cgaf> - Leaf class=0 belief= 0.947874 impurity=0.0988 counts=(array([0, 1]), array([691,  38]))\n\n**************************************************\n************** C=0.01 ****************************\nClassifier's accuracy (train): 0.9588\nClassifier's accuracy (test) : 0.9531\nroot feaures=(0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27) impurity=0.4438\nroot - Down feaures=(0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27) impurity=0.0192\nroot - Down - Down, <cgaf> - Leaf class=1 belief= 0.993506 impurity=0.0129 counts=(array([0, 1]), array([  2, 306]))\nroot - Down - Up, <pure> - Leaf class=0 belief= 1.000000 impurity=0.0000 counts=(array([0]), array([1]))\nroot - Up, <cgaf> - Leaf class=0 belief= 0.944218 impurity=0.1053 counts=(array([0, 1]), array([694,  41]))\n\n**************************************************\n************** C=1 ****************************\nClassifier's accuracy (train): 0.9665\nClassifier's accuracy (test) : 0.9643\nroot feaures=(0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27) impurity=0.4438\nroot - Down feaures=(0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27) impurity=0.0189\nroot - Down - Down, <pure> - Leaf class=1 belief= 1.000000 impurity=0.0000 counts=(array([1]), array([312]))\nroot - Down - Up, <pure> - Leaf class=0 belief= 1.000000 impurity=0.0000 counts=(array([0]), array([3]))\nroot - Up, <cgaf> - Leaf class=0 belief= 0.951989 impurity=0.0914 counts=(array([0, 1]), array([694,  35]))\n\n**************************************************\n************** C=5 ****************************\nClassifier's accuracy (train): 0.9665\nClassifier's accuracy (test) : 0.9621\nroot feaures=(0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27) impurity=0.4438\nroot - Down feaures=(0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27) impurity=0.0250\nroot - Down - Down, <pure> - Leaf class=1 belief= 1.000000 impurity=0.0000 counts=(array([1]), array([312]))\nroot - Down - Up, <pure> - Leaf class=0 belief= 1.000000 impurity=0.0000 counts=(array([0]), array([4]))\nroot - Up, <cgaf> - Leaf class=0 belief= 0.951923 impurity=0.0915 counts=(array([0, 1]), array([693,  35]))\n\n**************************************************\n************** C=17 ****************************\nClassifier's accuracy (train): 0.9703\nClassifier's accuracy (test) : 0.9665\nroot feaures=(0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27) impurity=0.4438\nroot - Down feaures=(0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27) impurity=0.0367\nroot - Down - Down, <pure> - Leaf class=1 belief= 1.000000 impurity=0.0000 counts=(array([1]), array([315]))\nroot - Down - Up, <pure> - Leaf class=0 belief= 1.000000 impurity=0.0000 counts=(array([0]), array([6]))\nroot - Up feaures=(0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27) impurity=0.0846\nroot - Up - Down, <pure> - Leaf class=1 belief= 1.000000 impurity=0.0000 counts=(array([1]), array([1]))\nroot - Up - Up, <cgaf> - Leaf class=0 belief= 0.957064 impurity=0.0822 counts=(array([0, 1]), array([691,  31]))\n\n**************************************************\n0.4375 secs\n"
-    }
-   ],
+   "outputs": [],
    "source": [
     "t = time.time()\n",
     "for C in (.001, .01, 1, 5, 17):\n",
@@ -216,20 +199,16 @@
    "metadata": {},
    "source": [
     "## Test iterator\n",
-    "Check different weays of using the iterator"
+    "Check different ways of using the iterator"
    ]
   },
   {
    "cell_type": "code",
-   "execution_count": 8,
-   "metadata": {},
-   "outputs": [
-    {
-     "output_type": "stream",
-     "name": "stdout",
-     "text": "root feaures=(0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27) impurity=0.4438\nroot - Down feaures=(0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27) impurity=0.0367\nroot - Down - Down, <pure> - Leaf class=1 belief= 1.000000 impurity=0.0000 counts=(array([1]), array([315]))\nroot - Down - Up, <pure> - Leaf class=0 belief= 1.000000 impurity=0.0000 counts=(array([0]), array([6]))\nroot - Up feaures=(0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27) impurity=0.0846\nroot - Up - Down, <pure> - Leaf class=1 belief= 1.000000 impurity=0.0000 counts=(array([1]), array([1]))\nroot - Up - Up, <cgaf> - Leaf class=0 belief= 0.957064 impurity=0.0822 counts=(array([0, 1]), array([691,  31]))\n"
-    }
-   ],
+   "execution_count": null,
+   "metadata": {
+    "tags": []
+   },
+   "outputs": [],
    "source": [
     "#check iterator\n",
     "for i in list(clf):\n",
@@ -238,15 +217,11 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 9,
-   "metadata": {},
-   "outputs": [
-    {
-     "output_type": "stream",
-     "name": "stdout",
-     "text": "root feaures=(0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27) impurity=0.4438\nroot - Down feaures=(0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27) impurity=0.0367\nroot - Down - Down, <pure> - Leaf class=1 belief= 1.000000 impurity=0.0000 counts=(array([1]), array([315]))\nroot - Down - Up, <pure> - Leaf class=0 belief= 1.000000 impurity=0.0000 counts=(array([0]), array([6]))\nroot - Up feaures=(0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27) impurity=0.0846\nroot - Up - Down, <pure> - Leaf class=1 belief= 1.000000 impurity=0.0000 counts=(array([1]), array([1]))\nroot - Up - Up, <cgaf> - Leaf class=0 belief= 0.957064 impurity=0.0822 counts=(array([0, 1]), array([691,  31]))\n"
-    }
-   ],
+   "execution_count": null,
+   "metadata": {
+    "tags": []
+   },
+   "outputs": [],
    "source": [
     "#check iterator again\n",
     "for i in clf:\n",
@@ -262,15 +237,11 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 10,
-   "metadata": {},
-   "outputs": [
-    {
-     "output_type": "stream",
-     "name": "stdout",
-     "text": "1 functools.partial(<function check_no_attributes_set_in_init at 0x12735b3b0>, 'Stree')\n2 functools.partial(<function check_estimators_dtypes at 0x1273514d0>, 'Stree')\n3 functools.partial(<function check_fit_score_takes_y at 0x1273513b0>, 'Stree')\n4 functools.partial(<function check_sample_weights_pandas_series at 0x12734acb0>, 'Stree')\n5 functools.partial(<function check_sample_weights_not_an_array at 0x12734add0>, 'Stree')\n6 functools.partial(<function check_sample_weights_list at 0x12734aef0>, 'Stree')\n7 functools.partial(<function check_sample_weights_shape at 0x12734d050>, 'Stree')\n8 functools.partial(<function check_sample_weights_invariance at 0x12734d170>, 'Stree')\n9 functools.partial(<function check_estimators_fit_returns_self at 0x1273564d0>, 'Stree')\n10 functools.partial(<function check_estimators_fit_returns_self at 0x1273564d0>, 'Stree', readonly_memmap=True)\n11 functools.partial(<function check_complex_data at 0x12734d320>, 'Stree')\n12 functools.partial(<function check_dtype_object at 0x12734d290>, 'Stree')\n13 functools.partial(<function check_estimators_empty_data_messages at 0x1273515f0>, 'Stree')\n14 functools.partial(<function check_pipeline_consistency at 0x127351290>, 'Stree')\n15 functools.partial(<function check_estimators_nan_inf at 0x127351710>, 'Stree')\n16 functools.partial(<function check_estimators_overwrite_params at 0x12735b290>, 'Stree')\n17 functools.partial(<function check_estimator_sparse_data at 0x12734ab90>, 'Stree')\n18 functools.partial(<function check_estimators_pickle at 0x127351950>, 'Stree')\n19 functools.partial(<function check_classifier_data_not_an_array at 0x12735b5f0>, 'Stree')\n20 functools.partial(<function check_classifiers_one_label at 0x127356050>, 'Stree')\n21 functools.partial(<function check_classifiers_classes at 0x127356a70>, 'Stree')\n22 functools.partial(<function check_estimators_partial_fit_n_features at 0x127351a70>, 'Stree')\n23 functools.partial(<function check_classifiers_train at 0x127356170>, 'Stree')\n24 functools.partial(<function check_classifiers_train at 0x127356170>, 'Stree', readonly_memmap=True)\n25 functools.partial(<function check_classifiers_train at 0x127356170>, 'Stree', readonly_memmap=True, X_dtype='float32')\n26 functools.partial(<function check_classifiers_regression_target at 0x12735f0e0>, 'Stree')\n27 functools.partial(<function check_supervised_y_no_nan at 0x1273449e0>, 'Stree')\n28 functools.partial(<function check_supervised_y_2d at 0x127356710>, 'Stree')\n29 functools.partial(<function check_estimators_unfitted at 0x1273565f0>, 'Stree')\n30 functools.partial(<function check_non_transformer_estimators_n_iter at 0x12735bc20>, 'Stree')\n31 functools.partial(<function check_decision_proba_consistency at 0x12735f200>, 'Stree')\n32 functools.partial(<function check_fit2d_predict1d at 0x12734d830>, 'Stree')\n33 functools.partial(<function check_methods_subset_invariance at 0x12734d9e0>, 'Stree')\n34 functools.partial(<function check_fit2d_1sample at 0x12734db00>, 'Stree')\n35 functools.partial(<function check_fit2d_1feature at 0x12734dc20>, 'Stree')\n36 functools.partial(<function check_fit1d at 0x12734dd40>, 'Stree')\n37 functools.partial(<function check_get_params_invariance at 0x12735be60>, 'Stree')\n38 functools.partial(<function check_set_params at 0x12735bf80>, 'Stree')\n39 functools.partial(<function check_dict_unchanged at 0x12734d440>, 'Stree')\n40 functools.partial(<function check_dont_overwrite_parameters at 0x12734d710>, 'Stree')\n41 functools.partial(<function check_fit_idempotent at 0x12735f3b0>, 'Stree')\n42 functools.partial(<function check_n_features_in at 0x12735f440>, 'Stree')\n43 functools.partial(<function check_requires_y_none at 0x12735f4d0>, 'Stree')\n"
-    }
-   ],
+   "execution_count": null,
+   "metadata": {
+    "tags": []
+   },
+   "outputs": [],
    "source": [
     "# Make checks one by one\n",
     "c = 0\n",
@@ -283,7 +254,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 11,
+   "execution_count": null,
    "metadata": {},
    "outputs": [],
    "source": [
@@ -300,15 +271,11 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 12,
-   "metadata": {},
-   "outputs": [
-    {
-     "output_type": "stream",
-     "name": "stdout",
-     "text": "== Not Weighted ===\nSVC train score ..: 0.9578544061302682\nSTree train score : 0.960727969348659\nSVC test score ...: 0.9508928571428571\nSTree test score .: 0.9553571428571429\n==== Weighted =====\nSVC train score ..: 0.9636015325670498\nSTree train score : 0.9626436781609196\nSVC test score ...: 0.9553571428571429\nSTree test score .: 0.9553571428571429\n*SVC test score ..: 0.9447820728419238\n*STree test score : 0.9447820728419238\n"
-    }
-   ],
+   "execution_count": null,
+   "metadata": {
+    "tags": []
+   },
+   "outputs": [],
    "source": [
     "svc = SVC(C=7, kernel='rbf', gamma=.001, random_state=random_state)\n",
     "clf = Stree(C=17, kernel='rbf', gamma=.001, random_state=random_state)\n",
@@ -332,15 +299,11 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 13,
-   "metadata": {},
-   "outputs": [
-    {
-     "output_type": "stream",
-     "name": "stdout",
-     "text": "root feaures=(0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27) impurity=0.4438\nroot - Down, <cgaf> - Leaf class=1 belief= 0.978261 impurity=0.0425 counts=(array([0, 1]), array([  7, 315]))\nroot - Up, <cgaf> - Leaf class=0 belief= 0.955679 impurity=0.0847 counts=(array([0, 1]), array([690,  32]))\n\n"
-    }
-   ],
+   "execution_count": null,
+   "metadata": {
+    "tags": []
+   },
+   "outputs": [],
    "source": [
     "print(clf)"
    ]
@@ -354,15 +317,11 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 14,
-   "metadata": {},
-   "outputs": [
-    {
-     "output_type": "stream",
-     "name": "stdout",
-     "text": "****************************************\nmax_features None = 28\nTrain score : 0.9664750957854407\nTest score .: 0.9642857142857143\nTook 0.09 seconds\n****************************************\nmax_features auto = 5\nTrain score : 0.9511494252873564\nTest score .: 0.9441964285714286\nTook 0.37 seconds\n****************************************\nmax_features log2 = 4\nTrain score : 0.935823754789272\nTest score .: 0.9330357142857143\nTook 0.10 seconds\n****************************************\nmax_features 7 = 7\nTrain score : 0.9568965517241379\nTest score .: 0.9397321428571429\nTook 3.36 seconds\n****************************************\nmax_features 0.5 = 14\nTrain score : 0.960727969348659\nTest score .: 0.9486607142857143\nTook 112.42 seconds\n****************************************\nmax_features 0.1 = 2\nTrain score : 0.8793103448275862\nTest score .: 0.8839285714285714\nTook 0.06 seconds\n****************************************\nmax_features 0.7 = 19\nTrain score : 0.9655172413793104\nTest score .: 0.9553571428571429\nTook 10.59 seconds\n"
-    }
-   ],
+   "execution_count": null,
+   "metadata": {
+    "tags": []
+   },
+   "outputs": [],
    "source": [
     "for max_features in [None, \"auto\", \"log2\", 7, .5, .1, .7]:\n",
     "    now = time.time()\n",
@@ -374,20 +333,13 @@
     "    print(\"Test score .:\", clf.score(Xtest, ytest))\n",
     "    print(f\"Took {time.time() - now:.2f} seconds\")"
    ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "metadata": {},
-   "outputs": [],
-   "source": []
   }
  ],
  "metadata": {
   "kernelspec": {
-   "display_name": "Python 3.7.6 64-bit ('general': venv)",
+   "display_name": "Python 3",
    "language": "python",
-   "name": "python37664bitgeneralvenvfbd0a23e74cf4e778460f5ffc6761f39"
+   "name": "python3"
   },
   "language_info": {
    "codemirror_mode": {
@@ -399,9 +351,9 @@
    "name": "python",
    "nbconvert_exporter": "python",
    "pygments_lexer": "ipython3",
-   "version": "3.7.6-final"
+   "version": "3.8.2-final"
   }
  },
  "nbformat": 4,
- "nbformat_minor": 2
+ "nbformat_minor": 4
 }

notebooks/gridsearch.ipynb

@@ -1,244 +1,253 @@
 {
-  "cells": [
-    {
-      "cell_type": "markdown",
-      "metadata": {},
-      "source": [
-        "# Test Gridsearch\n",
-        "with different kernels and different configurations"
-      ]
-    },
-    {
-      "cell_type": "markdown",
-      "metadata": {},
-      "source": [
-        "# Setup\n",
-        "Uncomment the next cell if STree is not already installed"
-      ]
-    },
-    {
-      "cell_type": "code",
-      "execution_count": 1,
-      "metadata": {},
-      "outputs": [],
-      "source": [
-        "#\n",
-        "# Google Colab setup\n",
-        "#\n",
-        "#!pip install git+https://github.com/doctorado-ml/stree"
-      ]
-    },
-    {
-      "cell_type": "code",
-      "metadata": {
-        "id": "zIHKVxthDZEa",
-        "colab_type": "code",
-        "colab": {}
-      },
-      "source": [
-        "from sklearn.ensemble import AdaBoostClassifier\n",
-        "from sklearn.svm import LinearSVC\n",
-        "from sklearn.model_selection import GridSearchCV, train_test_split\n",
-        "from stree import Stree"
-      ],
-      "execution_count": 2,
-      "outputs": []
-    },
-    {
-      "cell_type": "code",
-      "metadata": {
-        "id": "IEmq50QgDZEi",
-        "colab_type": "code",
-        "colab": {}
-      },
-      "source": [
-        "import os\n",
-        "if not os.path.isfile('data/creditcard.csv'):\n",
-        "    !wget --no-check-certificate --content-disposition http://nube.jccm.es/index.php/s/Zs7SYtZQJ3RQ2H2/download\n",
-        "    !tar xzf creditcard.tgz"
-      ],
-      "execution_count": 3,
-      "outputs": []
-    },
-    {
-      "cell_type": "code",
-      "metadata": {
-        "id": "z9Q-YUfBDZEq",
-        "colab_type": "code",
-        "colab": {},
-        "outputId": "afc822fb-f16a-4302-8a67-2b9e2880159b"
-      },
-      "source": [
-        "random_state=1\n",
-        "\n",
-        "def load_creditcard(n_examples=0):\n",
-        "    import pandas as pd\n",
-        "    import numpy as np\n",
-        "    import random\n",
-        "    df = pd.read_csv('data/creditcard.csv')\n",
-        "    print(\"Fraud: {0:.3f}% {1}\".format(df.Class[df.Class == 1].count()*100/df.shape[0], df.Class[df.Class == 1].count()))\n",
-        "    print(\"Valid: {0:.3f}% {1}\".format(df.Class[df.Class == 0].count()*100/df.shape[0], df.Class[df.Class == 0].count()))\n",
-        "    y = df.Class\n",
-        "    X = df.drop(['Class', 'Time', 'Amount'], axis=1).values\n",
-        "    if n_examples > 0:\n",
-        "        # Take first n_examples samples\n",
-        "        X = X[:n_examples, :]\n",
-        "        y = y[:n_examples, :]\n",
-        "    else:\n",
-        "        # Take all the positive samples with a number of random negatives\n",
-        "        if n_examples < 0:\n",
-        "            Xt = X[(y == 1).ravel()]\n",
-        "            yt = y[(y == 1).ravel()]\n",
-        "            indices = random.sample(range(X.shape[0]), -1 * n_examples)\n",
-        "            X = np.append(Xt, X[indices], axis=0)\n",
-        "            y = np.append(yt, y[indices], axis=0)\n",
-        "    print(\"X.shape\", X.shape, \" y.shape\", y.shape)\n",
-        "    print(\"Fraud: {0:.3f}% {1}\".format(len(y[y == 1])*100/X.shape[0], len(y[y == 1])))\n",
-        "    print(\"Valid: {0:.3f}% {1}\".format(len(y[y == 0]) * 100 / X.shape[0], len(y[y == 0])))\n",
-        "    Xtrain, Xtest, ytrain, ytest = train_test_split(X, y, train_size=0.7, shuffle=True, random_state=random_state, stratify=y)\n",
-        "    return Xtrain, Xtest, ytrain, ytest\n",
-        "\n",
-        "data = load_creditcard(-1000) # Take all true samples + 1000 of the others\n",
-        "# data = load_creditcard(5000)  # Take the first 5000 samples\n",
-        "# data = load_creditcard(0) # Take all the samples\n",
-        "\n",
-        "Xtrain = data[0]\n",
-        "Xtest = data[1]\n",
-        "ytrain = data[2]\n",
-        "ytest = data[3]"
-      ],
-      "execution_count": 4,
-      "outputs": [
-        {
-          "output_type": "stream",
-          "name": "stdout",
-          "text": "Fraud: 0.173% 492\nValid: 99.827% 284315\nX.shape (1492, 28)  y.shape (1492,)\nFraud: 33.244% 496\nValid: 66.756% 996\n"
-        }
-      ]
-    },
-    {
-      "cell_type": "markdown",
-      "metadata": {},
-      "source": [
-        "# Tests"
-      ]
-    },
-    {
-      "cell_type": "code",
-      "metadata": {
-        "id": "HmX3kR4PDZEw",
-        "colab_type": "code",
-        "colab": {}
-      },
-      "source": [
-        "parameters = {\n",
-        "    'base_estimator': [Stree()],\n",
-        "    'n_estimators': [10, 25],\n",
-        "    'learning_rate': [.5, 1],\n",
-        "    'base_estimator__tol': [.1,  1e-02],\n",
-        "    'base_estimator__max_depth': [3, 5],\n",
-        "    'base_estimator__C': [1, 3],\n",
-        "    'base_estimator__kernel': ['linear', 'poly', 'rbf']\n",
-        "}"
-      ],
-      "execution_count": 9,
-      "outputs": []
-    },
-    {
-      "cell_type": "code",
-      "execution_count": 14,
-      "metadata": {},
-      "outputs": [
-        {
-          "output_type": "execute_result",
-          "data": {
-            "text/plain": "{'C': 1.0,\n 'degree': 3,\n 'gamma': 'scale',\n 'kernel': 'linear',\n 'max_depth': None,\n 'max_iter': 1000,\n 'min_samples_split': 0,\n 'random_state': None,\n 'tol': 0.0001}"
-          },
-          "metadata": {},
-          "execution_count": 14
-        }
-      ],
-      "source": [
-        "Stree().get_params()"
-      ]
-    },
-    {
-      "cell_type": "code",
-      "metadata": {
-        "id": "CrcB8o6EDZE5",
-        "colab_type": "code",
-        "colab": {},
-        "outputId": "7703413a-d563-4289-a13b-532f38f82762"
-      },
-      "source": [
-        "random_state=2020\n",
-        "clf = AdaBoostClassifier(random_state=random_state)\n",
-        "grid = GridSearchCV(clf, parameters, verbose=10, n_jobs=-1, return_train_score=True)\n",
-        "grid.fit(Xtrain, ytrain)"
-      ],
-      "execution_count": 11,
-      "outputs": [
-        {
-          "output_type": "stream",
-          "name": "stdout",
-          "text": "Fitting 5 folds for each of 96 candidates, totalling 480 fits\n[Parallel(n_jobs=-1)]: Using backend LokyBackend with 8 concurrent workers.\n[Parallel(n_jobs=-1)]: Done   2 tasks      | elapsed:    3.6s\n[Parallel(n_jobs=-1)]: Done   9 tasks      | elapsed:    4.2s\n[Parallel(n_jobs=-1)]: Done  16 tasks      | elapsed:    4.8s\n[Parallel(n_jobs=-1)]: Done  25 tasks      | elapsed:    5.3s\n[Parallel(n_jobs=-1)]: Done  34 tasks      | elapsed:    6.2s\n[Parallel(n_jobs=-1)]: Done  45 tasks      | elapsed:    7.2s\n[Parallel(n_jobs=-1)]: Done  56 tasks      | elapsed:    8.9s\n[Parallel(n_jobs=-1)]: Done  69 tasks      | elapsed:   10.7s\n[Parallel(n_jobs=-1)]: Done  82 tasks      | elapsed:   12.7s\n[Parallel(n_jobs=-1)]: Done  97 tasks      | elapsed:   16.7s\n[Parallel(n_jobs=-1)]: Done 112 tasks      | elapsed:   19.4s\n[Parallel(n_jobs=-1)]: Done 129 tasks      | elapsed:   24.4s\n[Parallel(n_jobs=-1)]: Done 146 tasks      | elapsed:   29.3s\n[Parallel(n_jobs=-1)]: Done 165 tasks      | elapsed:   32.7s\n[Parallel(n_jobs=-1)]: Done 184 tasks      | elapsed:   36.4s\n[Parallel(n_jobs=-1)]: Done 205 tasks      | elapsed:   39.7s\n[Parallel(n_jobs=-1)]: Done 226 tasks      | elapsed:   43.7s\n[Parallel(n_jobs=-1)]: Done 249 tasks      | elapsed:   46.6s\n[Parallel(n_jobs=-1)]: Done 272 tasks      | elapsed:   48.8s\n[Parallel(n_jobs=-1)]: Done 297 tasks      | elapsed:   52.0s\n[Parallel(n_jobs=-1)]: Done 322 tasks      | elapsed:   55.9s\n[Parallel(n_jobs=-1)]: Done 349 tasks      | elapsed:  1.0min\n[Parallel(n_jobs=-1)]: Done 376 tasks      | elapsed:  1.2min\n[Parallel(n_jobs=-1)]: Done 405 tasks      | elapsed:  1.3min\n[Parallel(n_jobs=-1)]: Done 434 tasks      | elapsed:  1.3min\n[Parallel(n_jobs=-1)]: Done 465 tasks      | elapsed:  1.4min\n[Parallel(n_jobs=-1)]: Done 480 out of 480 | elapsed:  1.5min finished\n"
-        },
-        {
-          "output_type": "execute_result",
-          "data": {
-            "text/plain": "GridSearchCV(estimator=AdaBoostClassifier(random_state=2020), n_jobs=-1,\n             param_grid={'base_estimator': [Stree(C=1, max_depth=3, tol=0.1)],\n                         'base_estimator__C': [1, 3],\n                         'base_estimator__kernel': ['linear', 'poly', 'rbf'],\n                         'base_estimator__max_depth': [3, 5],\n                         'base_estimator__tol': [0.1, 0.01],\n                         'learning_rate': [0.5, 1], 'n_estimators': [10, 25]},\n             return_train_score=True, verbose=10)"
-          },
-          "metadata": {},
-          "execution_count": 11
-        }
-      ]
-    },
-    {
-      "cell_type": "code",
-      "metadata": {
-        "id": "ZjX88NoYDZE8",
-        "colab_type": "code",
-        "colab": {},
-        "outputId": "285163c8-fa33-4915-8ae7-61c4f7844344"
-      },
-      "source": [
-        "print(\"Best estimator: \", grid.best_estimator_)\n",
-        "print(\"Best hyperparameters: \", grid.best_params_)\n",
-        "print(\"Best accuracy: \", grid.best_score_)"
-      ],
-      "execution_count": 16,
-      "outputs": [
-        {
-          "output_type": "stream",
-          "name": "stdout",
-          "text": "Best estimator:  AdaBoostClassifier(base_estimator=Stree(C=1, max_depth=3, tol=0.1),\n                   learning_rate=0.5, n_estimators=10, random_state=2020)\nBest hyperparameters:  {'base_estimator': Stree(C=1, max_depth=3, tol=0.1), 'base_estimator__C': 1, 'base_estimator__kernel': 'linear', 'base_estimator__max_depth': 3, 'base_estimator__tol': 0.1, 'learning_rate': 0.5, 'n_estimators': 10}\nBest accuracy:  0.9492316893632683\n"
-        }
-      ]
-    }
-  ],
-  "metadata": {
-    "language_info": {
-      "codemirror_mode": {
-        "name": "ipython",
-        "version": 3
-      },
-      "file_extension": ".py",
-      "mimetype": "text/x-python",
-      "name": "python",
-      "nbconvert_exporter": "python",
-      "pygments_lexer": "ipython3",
-      "version": "3.7.6-final"
-    },
-    "orig_nbformat": 2,
-    "kernelspec": {
-      "name": "python37664bitgeneralvenvfbd0a23e74cf4e778460f5ffc6761f39",
-      "display_name": "Python 3.7.6 64-bit ('general': venv)"
-    },
-    "colab": {
-      "name": "gridsearch.ipynb",
-      "provenance": []
-    }
+ "cells": [
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "# Test Gridsearch\n",
+    "with different kernels and different configurations"
+   ]
   },
-  "nbformat": 4,
-  "nbformat_minor": 0
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "# Setup\n",
+    "Uncomment the next cell if STree is not already installed"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "#\n",
+    "# Google Colab setup\n",
+    "#\n",
+    "#!pip install git+https://github.com/doctorado-ml/stree\n",
+    "!pip install pandas"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {
+    "colab": {},
+    "colab_type": "code",
+    "id": "zIHKVxthDZEa"
+   },
+   "outputs": [],
+   "source": [
+    "import random\n",
+    "import os\n",
+    "import pandas as pd\n",
+    "import numpy as np\n",
+    "from sklearn.ensemble import AdaBoostClassifier\n",
+    "from sklearn.svm import LinearSVC\n",
+    "from sklearn.model_selection import GridSearchCV, train_test_split\n",
+    "from stree import Stree"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {
+    "colab": {},
+    "colab_type": "code",
+    "id": "IEmq50QgDZEi"
+   },
+   "outputs": [],
+   "source": [
+    "if not os.path.isfile('data/creditcard.csv'):\n",
+    "    !wget --no-check-certificate --content-disposition http://nube.jccm.es/index.php/s/Zs7SYtZQJ3RQ2H2/download\n",
+    "    !tar xzf creditcard.tgz"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {
+    "colab": {},
+    "colab_type": "code",
+    "id": "z9Q-YUfBDZEq",
+    "outputId": "afc822fb-f16a-4302-8a67-2b9e2880159b",
+    "tags": []
+   },
+   "outputs": [],
+   "source": [
+    "random_state=1\n",
+    "\n",
+    "def load_creditcard(n_examples=0):\n",
+    "    df = pd.read_csv('data/creditcard.csv')\n",
+    "    print(\"Fraud: {0:.3f}% {1}\".format(df.Class[df.Class == 1].count()*100/df.shape[0], df.Class[df.Class == 1].count()))\n",
+    "    print(\"Valid: {0:.3f}% {1}\".format(df.Class[df.Class == 0].count()*100/df.shape[0], df.Class[df.Class == 0].count()))\n",
+    "    y = df.Class\n",
+    "    X = df.drop(['Class', 'Time', 'Amount'], axis=1).values\n",
+    "    if n_examples > 0:\n",
+    "        # Take first n_examples samples\n",
+    "        X = X[:n_examples, :]\n",
+    "        y = y[:n_examples, :]\n",
+    "    else:\n",
+    "        # Take all the positive samples with a number of random negatives\n",
+    "        if n_examples < 0:\n",
+    "            Xt = X[(y == 1).ravel()]\n",
+    "            yt = y[(y == 1).ravel()]\n",
+    "            indices = random.sample(range(X.shape[0]), -1 * n_examples)\n",
+    "            X = np.append(Xt, X[indices], axis=0)\n",
+    "            y = np.append(yt, y[indices], axis=0)\n",
+    "    print(\"X.shape\", X.shape, \" y.shape\", y.shape)\n",
+    "    print(\"Fraud: {0:.3f}% {1}\".format(len(y[y == 1])*100/X.shape[0], len(y[y == 1])))\n",
+    "    print(\"Valid: {0:.3f}% {1}\".format(len(y[y == 0]) * 100 / X.shape[0], len(y[y == 0])))\n",
+    "    Xtrain, Xtest, ytrain, ytest = train_test_split(X, y, train_size=0.7, shuffle=True, random_state=random_state, stratify=y)\n",
+    "    return Xtrain, Xtest, ytrain, ytest\n",
+    "\n",
+    "data = load_creditcard(-1000) # Take all true samples + 1000 of the others\n",
+    "# data = load_creditcard(5000)  # Take the first 5000 samples\n",
+    "# data = load_creditcard(0) # Take all the samples\n",
+    "\n",
+    "Xtrain = data[0]\n",
+    "Xtest = data[1]\n",
+    "ytrain = data[2]\n",
+    "ytest = data[3]"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "# Tests"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {
+    "colab": {},
+    "colab_type": "code",
+    "id": "HmX3kR4PDZEw"
+   },
+   "outputs": [],
+   "source": [
+    "parameters = [{\n",
+    "    'base_estimator': [Stree(random_state=random_state)],\n",
+    "    'n_estimators': [10, 25],\n",
+    "    'learning_rate': [.5, 1],\n",
+    "    'base_estimator__split_criteria': ['max_samples', 'impurity'],\n",
+    "    'base_estimator__tol': [.1,  1e-02],\n",
+    "    'base_estimator__max_depth': [3, 5, 7],\n",
+    "    'base_estimator__C': [1, 7, 55],\n",
+    "    'base_estimator__kernel': ['linear']\n",
+    "},\n",
+    "{\n",
+    "    'base_estimator': [Stree(random_state=random_state)],\n",
+    "    'n_estimators': [10, 25],\n",
+    "    'learning_rate': [.5, 1],\n",
+    "    'base_estimator__split_criteria': ['max_samples', 'impurity'],\n",
+    "    'base_estimator__tol': [.1,  1e-02],\n",
+    "    'base_estimator__max_depth': [3, 5, 7],\n",
+    "    'base_estimator__C': [1, 7, 55],\n",
+    "    'base_estimator__degree': [3, 5, 7],\n",
+    "    'base_estimator__kernel': ['poly']\n",
+    "},\n",
+    "{\n",
+    "    'base_estimator': [Stree(random_state=random_state)],\n",
+    "    'n_estimators': [10, 25],\n",
+    "    'learning_rate': [.5, 1],\n",
+    "    'base_estimator__split_criteria': ['max_samples', 'impurity'],\n",
+    "    'base_estimator__tol': [.1,  1e-02],\n",
+    "    'base_estimator__max_depth': [3, 5, 7],\n",
+    "    'base_estimator__C': [1, 7, 55],\n",
+    "    'base_estimator__gamma': [.1, 1, 10],\n",
+    "    'base_estimator__kernel': ['rbf']\n",
+    "}]"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "Stree().get_params()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {
+    "colab": {},
+    "colab_type": "code",
+    "id": "CrcB8o6EDZE5",
+    "outputId": "7703413a-d563-4289-a13b-532f38f82762",
+    "tags": []
+   },
+   "outputs": [],
+   "source": [
+    "clf = AdaBoostClassifier(random_state=random_state, algorithm=\"SAMME\")\n",
+    "grid = GridSearchCV(clf, parameters, verbose=5, n_jobs=-1, return_train_score=True)\n",
+    "grid.fit(Xtrain, ytrain)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {
+    "colab": {},
+    "colab_type": "code",
+    "id": "ZjX88NoYDZE8",
+    "outputId": "285163c8-fa33-4915-8ae7-61c4f7844344",
+    "tags": []
+   },
+   "outputs": [],
+   "source": [
+    "print(\"Best estimator: \", grid.best_estimator_)\n",
+    "print(\"Best hyperparameters: \", grid.best_params_)\n",
+    "print(\"Best accuracy: \", grid.best_score_)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "Best estimator:  AdaBoostClassifier(algorithm='SAMME',\n",
+    "                   base_estimator=Stree(C=55, max_depth=7, random_state=1,\n",
+    "                                        split_criteria='max_samples', tol=0.1),\n",
+    "                   learning_rate=0.5, n_estimators=25, random_state=1)\n",
+    "Best hyperparameters:  {'base_estimator': Stree(C=55, max_depth=7, random_state=1, split_criteria='max_samples', tol=0.1), 'base_estimator__C': 55, 'base_estimator__kernel': 'linear', 'base_estimator__max_depth': 7, 'base_estimator__split_criteria': 'max_samples', 'base_estimator__tol': 0.1, 'learning_rate': 0.5, 'n_estimators': 25}"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "Best accuracy:  0.9511777695988222"
+   ]
+  }
+ ],
+ "metadata": {
+  "colab": {
+   "name": "gridsearch.ipynb",
+   "provenance": []
+  },
+  "kernelspec": {
+   "display_name": "Python 3",
+   "language": "python",
+   "name": "python3"
+  },
+  "language_info": {
+   "codemirror_mode": {
+    "name": "ipython",
+    "version": 3
+   },
+   "file_extension": ".py",
+   "mimetype": "text/x-python",
+   "name": "python",
+   "nbconvert_exporter": "python",
+   "pygments_lexer": "ipython3",
+   "version": "3.8.2-final"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 4
 }

requirements.txt

@@ -1,4 +1,2 @@
-numpy
-scikit-learn
-pandas
-ipympl
+scikit-learn>0.24
+mufs

runtime.txt

@@ -0,0 +1 @@
+python-3.8

setup.py

@@ -1,7 +1,5 @@
 import setuptools
-
-__version__ = "0.9rc4"
-__author__ = "Ricardo Montañana Gómez"
+import os
 
 
 def readme():
@@ -9,28 +7,50 @@ def readme():
         return f.read()
 
 
+def get_data(field, file_name="__init__.py"):
+    item = ""
+    with open(os.path.join("stree", file_name)) as f:
+        for line in f.readlines():
+            if line.startswith(f"__{field}__"):
+                delim = '"' if '"' in line else "'"
+                item = line.split(delim)[1]
+                break
+        else:
+            raise RuntimeError(f"Unable to find {field} string.")
+    return item
+
+
+def get_requirements():
+    with open("requirements.txt") as f:
+        return f.read().splitlines()
+
+
 setuptools.setup(
     name="STree",
-    version=__version__,
-    license="MIT License",
+    version=get_data("version", "_version.py"),
+    license=get_data("license"),
     description="Oblique decision tree with svm nodes",
     long_description=readme(),
     long_description_content_type="text/markdown",
     packages=setuptools.find_packages(),
-    url="https://github.com/doctorado-ml/stree",
-    author=__author__,
-    author_email="ricardo.montanana@alu.uclm.es",
+    url="https://github.com/Doctorado-ML/STree#stree",
+    project_urls={
+        "Code": "https://github.com/Doctorado-ML/STree",
+        "Documentation": "https://stree.readthedocs.io/en/latest/index.html",
+    },
+    author=get_data("author"),
+    author_email=get_data("author_email"),
     keywords="scikit-learn oblique-classifier oblique-decision-tree decision-\
     tree svm svc",
     classifiers=[
-        "Development Status :: 4 - Beta",
-        "License :: OSI Approved :: MIT License",
-        "Programming Language :: Python :: 3.7",
+        "Development Status :: 5 - Production/Stable",
+        "License :: OSI Approved :: " + get_data("license"),
+        "Programming Language :: Python :: 3.8",
         "Natural Language :: English",
         "Topic :: Scientific/Engineering :: Artificial Intelligence",
         "Intended Audience :: Science/Research",
     ],
-    install_requires=["scikit-learn>=0.23.0", "numpy", "ipympl"],
+    install_requires=get_requirements(),
     test_suite="stree.tests",
     zip_safe=False,
 )

stree/.readthedocs.yaml

@@ -0,0 +1,10 @@
+version: 2
+
+sphinx:
+  configuration: docs/source/conf.py
+
+python:
+  version: 3.8
+  install:
+    - requirements: requirements.txt
+    - requirements: docs/requirements.txt

stree/Splitter.py

@@ -0,0 +1,809 @@
+"""
+Oblique decision tree classifier based on SVM nodes
+Splitter class
+"""
+
+import os
+import warnings
+import random
+from math import log, factorial
+import numpy as np
+from sklearn.feature_selection import SelectKBest, mutual_info_classif
+from sklearn.preprocessing import StandardScaler
+from sklearn.svm import SVC
+from sklearn.exceptions import ConvergenceWarning
+from mufs import MUFS
+
+
+class Snode:
+    """
+    Nodes of the tree that keeps the svm classifier and if testing the
+    dataset assigned to it
+
+    Parameters
+    ----------
+    clf : SVC
+        Classifier used
+    X : np.ndarray
+        input dataset in train time (only in testing)
+    y : np.ndarray
+        input labes in train time
+    features : np.array
+        features used to compute hyperplane
+    impurity : float
+        impurity of the node
+    title : str
+        label describing the route to the node
+    weight : np.ndarray, optional
+        weights applied to input dataset in train time, by default None
+    scaler : StandardScaler, optional
+        scaler used if any, by default None
+    """
+
+    def __init__(
+        self,
+        clf: SVC,
+        X: np.ndarray,
+        y: np.ndarray,
+        features: np.array,
+        impurity: float,
+        title: str,
+        weight: np.ndarray = None,
+        scaler: StandardScaler = None,
+    ):
+        self._clf = clf
+        self._title = title
+        self._belief = 0.0
+        # Only store dataset in Testing
+        self._X = X if os.environ.get("TESTING", "NS") != "NS" else None
+        self._y = y
+        self._down = None
+        self._up = None
+        self._class = None
+        self._feature = None
+        self._sample_weight = (
+            weight if os.environ.get("TESTING", "NS") != "NS" else None
+        )
+        self._features = features
+        self._impurity = impurity
+        self._partition_column: int = -1
+        self._scaler = scaler
+        self._proba = None
+
+    @classmethod
+    def copy(cls, node: "Snode") -> "Snode":
+        return cls(
+            node._clf,
+            node._X,
+            node._y,
+            node._features,
+            node._impurity,
+            node._title,
+            node._sample_weight,
+            node._scaler,
+        )
+
+    def set_partition_column(self, col: int):
+        self._partition_column = col
+
+    def get_partition_column(self) -> int:
+        return self._partition_column
+
+    def set_down(self, son):
+        self._down = son
+
+    def set_title(self, title):
+        self._title = title
+
+    def set_classifier(self, clf):
+        self._clf = clf
+
+    def set_features(self, features):
+        self._features = features
+
+    def set_impurity(self, impurity):
+        self._impurity = impurity
+
+    def get_title(self) -> str:
+        return self._title
+
+    def get_classifier(self) -> SVC:
+        return self._clf
+
+    def get_impurity(self) -> float:
+        return self._impurity
+
+    def get_features(self) -> np.array:
+        return self._features
+
+    def set_up(self, son):
+        self._up = son
+
+    def is_leaf(self) -> bool:
+        return self._up is None and self._down is None
+
+    def get_down(self) -> "Snode":
+        return self._down
+
+    def get_up(self) -> "Snode":
+        return self._up
+
+    def make_predictor(self, num_classes: int) -> None:
+        """Compute the class of the predictor and its belief based on the
+        subdataset of the node only if it is a leaf
+        """
+        if not self.is_leaf():
+            return
+        classes, card = np.unique(self._y, return_counts=True)
+        self._proba = np.zeros((num_classes,), dtype=np.int64)
+        for c, n in zip(classes, card):
+            self._proba[c] = n
+        try:
+            max_card = max(card)
+            self._class = classes[card == max_card][0]
+            self._belief = max_card / np.sum(card)
+        except ValueError:
+            self._class = None
+
+    def graph(self):
+        """
+        Return a string representing the node in graphviz format
+        """
+        output = ""
+        count_values = np.unique(self._y, return_counts=True)
+        if self.is_leaf():
+            output += (
+                f'N{id(self)} [shape=box style=filled label="'
+                f"class={self._class} impurity={self._impurity:.3f} "
+                f'counts={self._proba}"];\n'
+            )
+        else:
+            output += (
+                f'N{id(self)} [label="#features={len(self._features)} '
+                f"classes={count_values[0]} samples={count_values[1]} "
+                f'({sum(count_values[1])})" fontcolor=black];\n'
+            )
+            output += f"N{id(self)} -> N{id(self.get_up())} [color=black];\n"
+            output += f"N{id(self)} -> N{id(self.get_down())} [color=black];\n"
+        return output
+
+    def __str__(self) -> str:
+        count_values = np.unique(self._y, return_counts=True)
+        if self.is_leaf():
+            return (
+                f"{self._title} - Leaf class={self._class} belief="
+                f"{self._belief: .6f} impurity={self._impurity:.4f} "
+                f"counts={count_values}"
+            )
+        return (
+            f"{self._title} feaures={self._features} impurity="
+            f"{self._impurity:.4f} "
+            f"counts={count_values}"
+        )
+
+
+class Siterator:
+    """Stree preorder iterator"""
+
+    def __init__(self, tree: Snode):
+        self._stack = []
+        self._push(tree)
+
+    def __iter__(self):
+        # To complete the iterator interface
+        return self
+
+    def _push(self, node: Snode):
+        if node is not None:
+            self._stack.append(node)
+
+    def __next__(self) -> Snode:
+        if len(self._stack) == 0:
+            raise StopIteration()
+        node = self._stack.pop()
+        self._push(node.get_up())
+        self._push(node.get_down())
+        return node
+
+
+class Splitter:
+    """
+    Splits a dataset in two based on different criteria
+
+    Parameters
+    ----------
+    clf : SVC, optional
+        classifier, by default None
+    criterion : str, optional
+        The function to measure the quality of a split (only used if
+        max_features != num_features). Supported criteria are “gini” for the
+        Gini impurity and “entropy” for the information gain., by default
+        "entropy", by default None
+    feature_select : str, optional
+        The strategy used to choose the feature set at each node (only used if
+        max_features < num_features). Supported strategies are: “best”: sklearn
+        SelectKBest algorithm is used in every node to choose the max_features
+        best features. “random”: The algorithm generates 5 candidates and
+        choose the best (max. info. gain) of them. “trandom”: The algorithm
+        generates only one random combination. "mutual": Chooses the best
+        features w.r.t. their mutual info with the label. "cfs": Apply
+        Correlation-based Feature Selection. "fcbf": Apply Fast Correlation-
+        Based, by default None
+    criteria : str, optional
+        ecides (just in case of a multi class classification) which column
+        (class) use to split the dataset in a node. max_samples is
+        incompatible with 'ovo' multiclass_strategy, by default None
+    min_samples_split : int, optional
+        The minimum number of samples required to split an internal node. 0
+        (default) for any, by default None
+    random_state : optional
+        Controls the pseudo random number generation for shuffling the data for
+        probability estimates. Ignored when probability is False.Pass an int
+        for reproducible output across multiple function calls, by
+        default None
+    normalize : bool, optional
+        If standardization of features should be applied on each node with the
+        samples that reach it , by default False
+
+    Raises
+    ------
+    ValueError
+        clf has to be a sklearn estimator
+    ValueError
+        criterion must be gini or entropy
+    ValueError
+        criteria has to be max_samples or impurity
+    ValueError
+        splitter must be in {random, best, mutual, cfs, fcbf}
+    """
+
+    def __init__(
+        self,
+        clf: SVC = None,
+        criterion: str = None,
+        feature_select: str = None,
+        criteria: str = None,
+        min_samples_split: int = None,
+        random_state=None,
+        normalize=False,
+    ):
+
+        self._clf = clf
+        self._random_state = random_state
+        if random_state is not None:
+            random.seed(random_state)
+        self._criterion = criterion
+        self._min_samples_split = min_samples_split
+        self._criteria = criteria
+        self._feature_select = feature_select
+        self._normalize = normalize
+
+        if clf is None:
+            raise ValueError(f"clf has to be a sklearn estimator, got({clf})")
+
+        if criterion not in ["gini", "entropy"]:
+            raise ValueError(
+                f"criterion must be gini or entropy got({criterion})"
+            )
+
+        if criteria not in [
+            "max_samples",
+            "impurity",
+        ]:
+            raise ValueError(
+                f"criteria has to be max_samples or impurity; got ({criteria})"
+            )
+
+        if feature_select not in [
+            "random",
+            "trandom",
+            "best",
+            "mutual",
+            "cfs",
+            "fcbf",
+            "iwss",
+        ]:
+            raise ValueError(
+                "splitter must be in {random, trandom, best, mutual, cfs, "
+                "fcbf, iwss} "
+                f"got ({feature_select})"
+            )
+        self.criterion_function = getattr(self, f"_{self._criterion}")
+        self.decision_criteria = getattr(self, f"_{self._criteria}")
+        self.fs_function = getattr(self, f"_fs_{self._feature_select}")
+
+    def _fs_random(
+        self, dataset: np.array, labels: np.array, max_features: int
+    ) -> tuple:
+        """Return the best of five random feature set combinations
+
+        Parameters
+        ----------
+        dataset : np.array
+            array of samples
+        labels : np.array
+            labels of the dataset
+        max_features : int
+            number of features of the subspace
+            (< number of features in dataset)
+
+        Returns
+        -------
+        tuple
+            indices of the features selected
+        """
+        # Random feature reduction
+        n_features = dataset.shape[1]
+        features_sets = self._generate_spaces(n_features, max_features)
+        return self._select_best_set(dataset, labels, features_sets)
+
+    @staticmethod
+    def _fs_trandom(
+        dataset: np.array, labels: np.array, max_features: int
+    ) -> tuple:
+        """Return the a random feature set combination
+
+        Parameters
+        ----------
+        dataset : np.array
+            array of samples
+        labels : np.array
+            labels of the dataset
+        max_features : int
+            number of features of the subspace
+            (< number of features in dataset)
+
+        Returns
+        -------
+        tuple
+            indices of the features selected
+        """
+        # Random feature reduction
+        n_features = dataset.shape[1]
+        return tuple(sorted(random.sample(range(n_features), max_features)))
+
+    @staticmethod
+    def _fs_best(
+        dataset: np.array, labels: np.array, max_features: int
+    ) -> tuple:
+        """Return the variabes with higher f-score
+
+        Parameters
+        ----------
+        dataset : np.array
+            array of samples
+        labels : np.array
+            labels of the dataset
+        max_features : int
+            number of features of the subspace
+            (< number of features in dataset)
+
+        Returns
+        -------
+        tuple
+            indices of the features selected
+        """
+        return (
+            SelectKBest(k=max_features)
+            .fit(dataset, labels)
+            .get_support(indices=True)
+        )
+
+    def _fs_mutual(
+        self, dataset: np.array, labels: np.array, max_features: int
+    ) -> tuple:
+        """Return the best features with mutual information with labels
+
+        Parameters
+        ----------
+        dataset : np.array
+            array of samples
+        labels : np.array
+            labels of the dataset
+        max_features : int
+            number of features of the subspace
+            (< number of features in dataset)
+
+        Returns
+        -------
+        tuple
+            indices of the features selected
+        """
+        # return best features with mutual info with the label
+        feature_list = mutual_info_classif(
+            dataset, labels, random_state=self._random_state
+        )
+        return tuple(
+            sorted(
+                range(len(feature_list)), key=lambda sub: feature_list[sub]
+            )[-max_features:]
+        )
+
+    @staticmethod
+    def _fs_cfs(
+        dataset: np.array, labels: np.array, max_features: int
+    ) -> tuple:
+        """Correlattion-based feature selection with max_features limit
+
+        Parameters
+        ----------
+        dataset : np.array
+            array of samples
+        labels : np.array
+            labels of the dataset
+        max_features : int
+            number of features of the subspace
+            (< number of features in dataset)
+
+        Returns
+        -------
+        tuple
+            indices of the features selected
+        """
+        mufs = MUFS(max_features=max_features, discrete=False)
+        return mufs.cfs(dataset, labels).get_results()
+
+    @staticmethod
+    def _fs_fcbf(
+        dataset: np.array, labels: np.array, max_features: int
+    ) -> tuple:
+        """Fast Correlation-based Filter algorithm with max_features limit
+
+        Parameters
+        ----------
+        dataset : np.array
+            array of samples
+        labels : np.array
+            labels of the dataset
+        max_features : int
+            number of features of the subspace
+            (< number of features in dataset)
+
+        Returns
+        -------
+        tuple
+            indices of the features selected
+        """
+        mufs = MUFS(max_features=max_features, discrete=False)
+        return mufs.fcbf(dataset, labels, 5e-4).get_results()
+
+    @staticmethod
+    def _fs_iwss(
+        dataset: np.array, labels: np.array, max_features: int
+    ) -> tuple:
+        """Correlattion-based feature selection based on iwss with max_features
+        limit
+
+        Parameters
+        ----------
+        dataset : np.array
+            array of samples
+        labels : np.array
+            labels of the dataset
+        max_features : int
+            number of features of the subspace
+            (< number of features in dataset)
+
+        Returns
+        -------
+        tuple
+            indices of the features selected
+        """
+        mufs = MUFS(max_features=max_features, discrete=False)
+        return mufs.iwss(dataset, labels, 0.25).get_results()
+
+    def partition_impurity(self, y: np.array) -> np.array:
+        return self.criterion_function(y)
+
+    @staticmethod
+    def _gini(y: np.array) -> float:
+        _, count = np.unique(y, return_counts=True)
+        return 1 - np.sum(np.square(count / np.sum(count)))
+
+    @staticmethod
+    def _entropy(y: np.array) -> float:
+        """Compute entropy of a labels set
+
+        Parameters
+        ----------
+        y : np.array
+            set of labels
+
+        Returns
+        -------
+        float
+            entropy
+        """
+        n_labels = len(y)
+        if n_labels <= 1:
+            return 0
+        counts = np.bincount(y)
+        proportions = counts / n_labels
+        n_classes = np.count_nonzero(proportions)
+        if n_classes <= 1:
+            return 0
+        entropy = 0.0
+        # Compute standard entropy.
+        for prop in proportions:
+            if prop != 0.0:
+                entropy -= prop * log(prop, n_classes)
+        return entropy
+
+    def information_gain(
+        self, labels: np.array, labels_up: np.array, labels_dn: np.array
+    ) -> float:
+        """Compute information gain of a split candidate
+
+        Parameters
+        ----------
+        labels : np.array
+            labels of the dataset
+        labels_up : np.array
+            labels of one side
+        labels_dn : np.array
+            labels on the other side
+
+        Returns
+        -------
+        float
+            information gain
+        """
+        imp_prev = self.criterion_function(labels)
+        card_up = card_dn = imp_up = imp_dn = 0
+        if labels_up is not None:
+            card_up = labels_up.shape[0]
+            imp_up = self.criterion_function(labels_up)
+        if labels_dn is not None:
+            card_dn = labels_dn.shape[0] if labels_dn is not None else 0
+            imp_dn = self.criterion_function(labels_dn)
+        samples = card_up + card_dn
+        if samples == 0:
+            return 0.0
+        else:
+            result = (
+                imp_prev
+                - (card_up / samples) * imp_up
+                - (card_dn / samples) * imp_dn
+            )
+            return result
+
+    def _select_best_set(
+        self, dataset: np.array, labels: np.array, features_sets: list
+    ) -> list:
+        """Return the best set of features among feature_sets, the criterion is
+        the information gain
+
+        Parameters
+        ----------
+        dataset : np.array
+            array of samples (# samples, # features)
+        labels : np.array
+            array of labels
+        features_sets : list
+            list of features sets to check
+
+        Returns
+        -------
+        list
+            best feature set
+        """
+        max_gain = 0
+        selected = None
+        warnings.filterwarnings("ignore", category=ConvergenceWarning)
+        for feature_set in features_sets:
+            self._clf.fit(dataset[:, feature_set], labels)
+            node = Snode(
+                self._clf, dataset, labels, feature_set, 0.0, "subset"
+            )
+            self.partition(dataset, node, train=True)
+            y1, y2 = self.part(labels)
+            gain = self.information_gain(labels, y1, y2)
+            if gain > max_gain:
+                max_gain = gain
+                selected = feature_set
+        return selected if selected is not None else feature_set
+
+    @staticmethod
+    def _generate_spaces(features: int, max_features: int) -> list:
+        """Generate at most 5 feature random combinations
+
+        Parameters
+        ----------
+        features : int
+            number of features in each combination
+        max_features : int
+            number of features in dataset
+
+        Returns
+        -------
+        list
+            list with up to 5 combination of features randomly selected
+        """
+        comb = set()
+        # Generate at most 5 combinations
+        number = factorial(features) / (
+            factorial(max_features) * factorial(features - max_features)
+        )
+        set_length = min(5, number)
+        while len(comb) < set_length:
+            comb.add(
+                tuple(sorted(random.sample(range(features), max_features)))
+            )
+        return list(comb)
+
+    def _get_subspaces_set(
+        self, dataset: np.array, labels: np.array, max_features: int
+    ) -> tuple:
+        """Compute the indices of the features selected by splitter depending
+        on the self._feature_select hyper parameter
+
+        Parameters
+        ----------
+        dataset : np.array
+            array of samples
+        labels : np.array
+            labels of the dataset
+        max_features : int
+            number of features of the subspace
+            (<= number of features in dataset)
+
+        Returns
+        -------
+        tuple
+            indices of the features selected
+        """
+        # No feature reduction
+        n_features = dataset.shape[1]
+        if n_features == max_features:
+            return tuple(range(n_features))
+        # select features as selected in constructor
+        return self.fs_function(dataset, labels, max_features)
+
+    def get_subspace(
+        self, dataset: np.array, labels: np.array, max_features: int
+    ) -> tuple:
+        """Re3turn a subspace of the selected dataset of max_features length.
+        Depending on hyperparameter
+
+        Parameters
+        ----------
+        dataset : np.array
+            array of samples (# samples, # features)
+        labels : np.array
+            labels of the dataset
+        max_features : int
+            number of features to form the subspace
+
+        Returns
+        -------
+        tuple
+            tuple with the dataset with only the features selected  and the
+            indices of the features selected
+        """
+        indices = self._get_subspaces_set(dataset, labels, max_features)
+        return dataset[:, indices], indices
+
+    def _impurity(self, data: np.array, y: np.array) -> np.array:
+        """return column of dataset to be taken into account to split dataset
+
+        Parameters
+        ----------
+        data : np.array
+            distances to hyper plane of every class
+        y : np.array
+            vector of labels (classes)
+
+        Returns
+        -------
+        np.array
+            column of dataset to be taken into account to split dataset
+        """
+        max_gain = 0
+        selected = -1
+        for col in range(data.shape[1]):
+            tup = y[data[:, col] > 0]
+            tdn = y[data[:, col] <= 0]
+            info_gain = self.information_gain(y, tup, tdn)
+            if info_gain > max_gain:
+                selected = col
+                max_gain = info_gain
+        return selected
+
+    @staticmethod
+    def _max_samples(data: np.array, y: np.array) -> np.array:
+        """return column of dataset to be taken into account to split dataset
+
+        Parameters
+        ----------
+        data : np.array
+            distances to hyper plane of every class
+        y : np.array
+            column of dataset to be taken into account to split dataset
+
+        Returns
+        -------
+        np.array
+            column of dataset to be taken into account to split dataset
+        """
+        # select the class with max number of samples
+        _, samples = np.unique(y, return_counts=True)
+        return np.argmax(samples)
+
+    def partition(self, samples: np.array, node: Snode, train: bool):
+        """Set the criteria to split arrays. Compute the indices of the samples
+        that should go to one side of the tree (up)
+
+        Parameters
+        ----------
+        samples : np.array
+            array of samples (# samples, # features)
+        node : Snode
+            Node of the tree where partition is going to be made
+        train : bool
+            Train time - True / Test time - False
+        """
+        # data contains the distances of every sample to every class hyperplane
+        # array of (m, nc) nc = # classes
+        data = self._distances(node, samples)
+        if data.shape[0] < self._min_samples_split:
+            # there aren't enough samples to split
+            self._up = np.ones((data.shape[0]), dtype=bool)
+            return
+        if data.ndim > 1:
+            # split criteria for multiclass
+            # Convert data to a (m, 1) array selecting values for samples
+            if train:
+                # in train time we have to compute the column to take into
+                # account to split the dataset
+                col = self.decision_criteria(data, node._y)
+                node.set_partition_column(col)
+            else:
+                # in predcit time just use the column computed in train time
+                # is taking the classifier of class <col>
+                col = node.get_partition_column()
+            if col == -1:
+                # No partition is producing information gain
+                data = np.ones(data.shape)
+            data = data[:, col]
+        self._up = data > 0
+
+    def part(self, origin: np.array) -> list:
+        """Split an array in two based on indices (self._up) and its complement
+        partition has to be called first to establish up indices
+
+        Parameters
+        ----------
+        origin : np.array
+            dataset to split
+
+        Returns
+        -------
+        list
+            list with two splits of the array
+        """
+        down = ~self._up
+        return [
+            origin[self._up] if any(self._up) else None,
+            origin[down] if any(down) else None,
+        ]
+
+    def _distances(self, node: Snode, data: np.ndarray) -> np.array:
+        """Compute distances of the samples to the hyperplane of the node
+
+        Parameters
+        ----------
+        node : Snode
+            node containing the svm classifier
+        data : np.ndarray
+            samples to compute distance to hyperplane
+
+        Returns
+        -------
+        np.array
+            array of shape (m, nc) with the distances of every sample to
+            the hyperplane of every class. nc = # of classes
+        """
+        X_transformed = data[:, node._features]
+        if self._normalize:
+            X_transformed = node._scaler.transform(X_transformed)
+        return node._clf.decision_function(X_transformed)

stree/Strees.py

@@ -1,328 +1,159 @@
 """
-__author__ = "Ricardo Montañana Gómez"
-__copyright__ = "Copyright 2020, Ricardo Montañana Gómez"
-__license__ = "MIT"
-__version__ = "0.9"
-Build an oblique tree classifier based on SVM Trees
+Oblique decision tree classifier based on SVM nodes
 """
 
-import os
 import numbers
 import random
-import warnings
-from itertools import combinations
+from typing import Optional
 import numpy as np
 from sklearn.base import BaseEstimator, ClassifierMixin
 from sklearn.svm import SVC, LinearSVC
-from sklearn.utils import check_consistent_length
+from sklearn.preprocessing import StandardScaler
 from sklearn.utils.multiclass import check_classification_targets
-from sklearn.exceptions import ConvergenceWarning
 from sklearn.utils.validation import (
     check_X_y,
     check_array,
     check_is_fitted,
     _check_sample_weight,
 )
-from sklearn.metrics._classification import _weighted_sum, _check_targets
-
-
-class Snode:
-    """Nodes of the tree that keeps the svm classifier and if testing the
-    dataset assigned to it
-    """
-
-    def __init__(
-        self,
-        clf: SVC,
-        X: np.ndarray,
-        y: np.ndarray,
-        features: np.array,
-        impurity: float,
-        title: str,
-    ):
-        self._clf = clf
-        self._title = title
-        self._belief = 0.0
-        # Only store dataset in Testing
-        self._X = X if os.environ.get("TESTING", "NS") != "NS" else None
-        self._y = y
-        self._down = None
-        self._up = None
-        self._class = None
-        self._feature = None
-        self._sample_weight = None
-        self._features = features
-        self._impurity = impurity
-
-    @classmethod
-    def copy(cls, node: "Snode") -> "Snode":
-        return cls(
-            node._clf,
-            node._X,
-            node._y,
-            node._features,
-            node._impurity,
-            node._title,
-        )
-
-    def set_down(self, son):
-        self._down = son
-
-    def set_up(self, son):
-        self._up = son
-
-    def is_leaf(self) -> bool:
-        return self._up is None and self._down is None
-
-    def get_down(self) -> "Snode":
-        return self._down
-
-    def get_up(self) -> "Snode":
-        return self._up
-
-    def make_predictor(self):
-        """Compute the class of the predictor and its belief based on the
-        subdataset of the node only if it is a leaf
-        """
-        if not self.is_leaf():
-            return
-        classes, card = np.unique(self._y, return_counts=True)
-        if len(classes) > 1:
-            max_card = max(card)
-            min_card = min(card)
-            self._class = classes[card == max_card][0]
-            self._belief = max_card / (max_card + min_card)
-        else:
-            self._belief = 1
-            try:
-                self._class = classes[0]
-            except IndexError:
-                self._class = None
-
-    def __str__(self) -> str:
-        if self.is_leaf():
-            count_values = np.unique(self._y, return_counts=True)
-            result = (
-                f"{self._title} - Leaf class={self._class} belief="
-                f"{self._belief: .6f} impurity={self._impurity:.4f} "
-                f"counts={count_values}"
-            )
-            return result
-        else:
-            return (
-                f"{self._title} feaures={self._features} impurity="
-                f"{self._impurity:.4f}"
-            )
-
-
-class Siterator:
-    """Stree preorder iterator
-    """
-
-    def __init__(self, tree: Snode):
-        self._stack = []
-        self._push(tree)
-
-    def _push(self, node: Snode):
-        if node is not None:
-            self._stack.append(node)
-
-    def __next__(self) -> Snode:
-        if len(self._stack) == 0:
-            raise StopIteration()
-        node = self._stack.pop()
-        self._push(node.get_up())
-        self._push(node.get_down())
-        return node
-
-
-class Splitter:
-    def __init__(
-        self,
-        clf: SVC = None,
-        criterion: str = None,
-        splitter_type: str = None,
-        criteria: str = None,
-        min_samples_split: int = None,
-        random_state=None,
-    ):
-        self._clf = clf
-        self._random_state = random_state
-        if random_state is not None:
-            random.seed(random_state)
-        self._criterion = criterion
-        self._min_samples_split = min_samples_split
-        self._criteria = criteria
-        self._splitter_type = splitter_type
-
-        if clf is None:
-            raise ValueError(f"clf has to be a sklearn estimator, got({clf})")
-
-        if criterion not in ["gini", "entropy"]:
-            raise ValueError(
-                f"criterion must be gini or entropy got({criterion})"
-            )
-
-        if criteria not in ["min_distance", "max_samples"]:
-            raise ValueError(
-                f"split_criteria has to be min_distance or \
-                max_samples got ({criteria})"
-            )
-
-        if splitter_type not in ["random", "best"]:
-            raise ValueError(
-                f"splitter must be either random or best got({splitter_type})"
-            )
-        self.criterion_function = getattr(self, f"_{self._criterion}")
-        self.decision_criteria = getattr(self, f"_{self._criteria}")
-
-    def impurity(self, y: np.array) -> np.array:
-        return self.criterion_function(y)
-
-    @staticmethod
-    def _gini(y: np.array) -> float:
-        _, count = np.unique(y, return_counts=True)
-        return 1 - np.sum(np.square(count / np.sum(count)))
-
-    @staticmethod
-    def _entropy(y: np.array) -> float:
-        _, count = np.unique(y, return_counts=True)
-        proportion = count / np.sum(count)
-        return -np.sum(proportion * np.log2(proportion))
-
-    def information_gain(
-        self, labels_up: np.array, labels_dn: np.array
-    ) -> float:
-        card_up = labels_up.shape[0] if labels_up is not None else 0
-        card_dn = labels_dn.shape[0] if labels_dn is not None else 0
-        samples = card_up + card_dn
-        up = card_up / samples * self.criterion_function(labels_up)
-        dn = card_dn / samples * self.criterion_function(labels_dn)
-        return up + dn
-
-    def _select_best_set(
-        self, dataset: np.array, labels: np.array, features_sets: list
-    ) -> list:
-        min_impurity = 1
-        selected = None
-        warnings.filterwarnings("ignore", category=ConvergenceWarning)
-        for feature_set in features_sets:
-            self._clf.fit(dataset[:, feature_set], labels)
-            node = Snode(
-                self._clf, dataset, labels, feature_set, 0.0, "subset"
-            )
-            self.partition(dataset, node)
-            y1, y2 = self.part(labels)
-            impurity = self.information_gain(y1, y2)
-            if impurity < min_impurity:
-                min_impurity = impurity
-                selected = feature_set
-        return selected
-
-    def _get_subspaces_set(
-        self, dataset: np.array, labels: np.array, max_features: int
-    ) -> np.array:
-        features = range(dataset.shape[1])
-        features_sets = list(combinations(features, max_features))
-        if len(features_sets) > 1:
-            if self._splitter_type == "random":
-                return features_sets[random.randint(0, len(features_sets) - 1)]
-            else:
-                return self._select_best_set(dataset, labels, features_sets)
-        else:
-            return features_sets[0]
-
-    def get_subspace(
-        self, dataset: np.array, labels: np.array, max_features: int
-    ) -> list:
-        """Return the best subspace to make a split
-        """
-        indices = self._get_subspaces_set(dataset, labels, max_features)
-        return dataset[:, indices], indices
-
-    @staticmethod
-    def _min_distance(data: np.array, _) -> np.array:
-        # chooses the lowest distance of every sample
-        indices = np.argmin(np.abs(data), axis=1)
-        return np.array(
-            [data[x, y] for x, y in zip(range(len(data[:, 0])), indices)]
-        )
-
-    @staticmethod
-    def _max_samples(data: np.array, y: np.array) -> np.array:
-        # select the class with max number of samples
-        _, samples = np.unique(y, return_counts=True)
-        selected = np.argmax(samples)
-        return data[:, selected]
-
-    def partition(self, samples: np.array, node: Snode):
-        """Set the criteria to split arrays
-
-        """
-        data = self._distances(node, samples)
-        if data.shape[0] < self._min_samples_split:
-            self._down = np.ones((data.shape[0]), dtype=bool)
-            return
-        if data.ndim > 1:
-            # split criteria for multiclass
-            data = self.decision_criteria(data, node._y)
-        self._down = data > 0
-
-    @staticmethod
-    def _distances(node: Snode, data: np.ndarray) -> np.array:
-        """Compute distances of the samples to the hyperplane of the node
-
-        :param node: node containing the svm classifier
-        :type node: Snode
-        :param data: samples to find out distance to hyperplane
-        :type data: np.ndarray
-        :return: array of shape (m, 1) with the distances of every sample to
-        the hyperplane of the node
-        :rtype: np.array
-        """
-        return node._clf.decision_function(data[:, node._features])
-
-    def part(self, origin: np.array) -> list:
-        """Split an array in two based on indices (down) and its complement
-
-        :param origin: dataset to split
-        :type origin: np.array
-        :param down: indices to use to split array
-        :type down: np.array
-        :return: list with two splits of the array
-        :rtype: list
-        """
-        up = ~self._down
-        return [
-            origin[up] if any(up) else None,
-            origin[self._down] if any(self._down) else None,
-        ]
+from .Splitter import Splitter, Snode, Siterator
+from ._version import __version__
 
 
 class Stree(BaseEstimator, ClassifierMixin):
-    """Estimator that is based on binary trees of svm nodes
+    """
+    Estimator that is based on binary trees of svm nodes
     can deal with sample_weights in predict, used in boosting sklearn methods
     inheriting from BaseEstimator implements get_params and set_params methods
     inheriting from ClassifierMixin implement the attribute _estimator_type
     with "classifier" as value
+
+    Parameters
+    ----------
+    C : float, optional
+        Regularization parameter. The strength of the regularization is
+        inversely proportional to C. Must be strictly positive., by default 1.0
+    kernel : str, optional
+        Specifies the kernel type to be used in the algorithm. It must be one
+        of ‘liblinear’, ‘linear’, ‘poly’ or ‘rbf’. liblinear uses
+        [liblinear](https://www.csie.ntu.edu.tw/~cjlin/liblinear/) library and
+        the rest uses [libsvm](https://www.csie.ntu.edu.tw/~cjlin/libsvm/)
+        library through scikit-learn library, by default "linear"
+    max_iter : int, optional
+        Hard limit on iterations within solver, or -1 for no limit., by default
+        1e5
+    random_state : int, optional
+        Controls the pseudo random number generation for shuffling the data for
+        probability estimates. Ignored when probability is False.Pass an int
+        for reproducible output across multiple function calls, by
+        default None
+    max_depth : int, optional
+        Specifies the maximum depth of the tree, by default None
+    tol : float, optional
+        Tolerance for stopping, by default 1e-4
+    degree : int, optional
+        Degree of the polynomial kernel function (‘poly’). Ignored by all other
+        kernels., by default 3
+    gamma : str, optional
+        Kernel coefficient for ‘rbf’, ‘poly’ and ‘sigmoid’.if gamma='scale'
+        (default) is passed then it uses 1 / (n_features * X.var()) as value
+        of gamma,if ‘auto’, uses 1 / n_features., by default "scale"
+    split_criteria : str, optional
+        Decides (just in case of a multi class classification) which column
+        (class) use to split the dataset in a node. max_samples is
+        incompatible with 'ovo' multiclass_strategy, by default "impurity"
+    criterion : str, optional
+        The function to measure the quality of a split (only used if
+        max_features != num_features). Supported criteria are “gini” for the
+        Gini impurity and “entropy” for the information gain., by default
+        "entropy"
+    min_samples_split : int, optional
+        The minimum number of samples required to split an internal node. 0
+        (default) for any, by default 0
+    max_features : optional
+        The number of features to consider when looking for the split: If int,
+        then consider max_features features at each split. If float, then
+        max_features is a fraction and int(max_features * n_features) features
+        are considered at each split. If “auto”, then max_features=
+        sqrt(n_features). If “sqrt”, then max_features=sqrt(n_features). If
+        “log2”, then max_features=log2(n_features). If None, then max_features=
+        n_features., by default None
+    splitter : str, optional
+        The strategy used to choose the feature set at each node (only used if
+        max_features < num_features). Supported strategies are: “best”: sklearn
+        SelectKBest algorithm is used in every node to choose the max_features
+        best features. “random”: The algorithm generates 5 candidates and
+        choose the best (max. info. gain) of them. “trandom”: The algorithm
+        generates only one random combination. "mutual": Chooses the best
+        features w.r.t. their mutual info with the label. "cfs": Apply
+        Correlation-based Feature Selection. "fcbf": Apply Fast Correlation-
+        Based , by default "random"
+    multiclass_strategy : str, optional
+        Strategy to use with multiclass datasets, "ovo": one versus one. "ovr":
+        one versus rest, by default "ovo"
+    normalize : bool, optional
+        If standardization of features should be applied on each node with the
+        samples that reach it , by default False
+
+    Attributes
+    ----------
+    classes_ : ndarray of shape (n_classes,)
+        The classes labels.
+
+    n_classes_ : int
+        The number of classes
+
+    n_iter_ : int
+        Max number of iterations in classifier
+
+    depth_ : int
+        Max depht of the tree
+
+    n_features_ : int
+        The number of features when ``fit`` is performed.
+
+    n_features_in_ : int
+        Number of features seen during :term:`fit`.
+
+    max_features_ : int
+        Number of features to use in hyperplane computation
+
+    tree_ : Node
+        root of the tree
+
+    X_ : ndarray
+        points to the input dataset
+
+    y_ : ndarray
+        points to the input labels
+
+    References
+    ----------
+    R. Montañana, J. A. Gámez, J. M. Puerta, "STree: a single multi-class
+    oblique decision tree based on support vector machines.", 2021 LNAI 12882
+
+
     """
 
     def __init__(
         self,
         C: float = 1.0,
         kernel: str = "linear",
-        max_iter: int = 1000,
+        max_iter: int = 1e5,
         random_state: int = None,
         max_depth: int = None,
         tol: float = 1e-4,
         degree: int = 3,
         gamma="scale",
-        split_criteria: str = "max_samples",
-        criterion: str = "gini",
+        split_criteria: str = "impurity",
+        criterion: str = "entropy",
         min_samples_split: int = 0,
         max_features=None,
         splitter: str = "random",
+        multiclass_strategy: str = "ovo",
+        normalize: bool = False,
     ):
+
         self.max_iter = max_iter
         self.C = C
         self.kernel = kernel
@@ -336,9 +167,17 @@ class Stree(BaseEstimator, ClassifierMixin):
         self.max_features = max_features
         self.criterion = criterion
         self.splitter = splitter
+        self.normalize = normalize
+        self.multiclass_strategy = multiclass_strategy
+
+    @staticmethod
+    def version() -> str:
+        """Return the version of the package."""
+        return __version__
 
     def _more_tags(self) -> dict:
         """Required by sklearn to supply features of the classifier
+        make mandatory the labels array
 
         :return: the tag required
         :rtype: dict
@@ -350,16 +189,19 @@ class Stree(BaseEstimator, ClassifierMixin):
     ) -> "Stree":
         """Build the tree based on the dataset of samples and its labels
 
-        :param X: dataset of samples to make predictions
-        :type X: np.array
-        :param y: samples labels
-        :type y: np.array
-        :param sample_weight: weights of the samples. Rescale C per sample.
-        Hi' weights force the classifier to put more emphasis on these points
-        :type sample_weight: np.array optional
-        :raises ValueError: if parameters C or max_depth are out of bounds
-        :return: itself to be able to chain actions: fit().predict() ...
-        :rtype: Stree
+        Returns
+        -------
+        Stree
+            itself to be able to chain actions: fit().predict() ...
+
+        Raises
+        ------
+        ValueError
+            if C < 0
+        ValueError
+            if max_depth < 1
+        ValueError
+            if all samples have 0 or negative weights
         """
         # Check parameters are Ok.
         if self.C < 0:
@@ -376,19 +218,44 @@ class Stree(BaseEstimator, ClassifierMixin):
                 f"Maximum depth has to be greater than 1... got (max_depth=\
                     {self.max_depth})"
             )
-
+        if self.multiclass_strategy not in ["ovr", "ovo"]:
+            raise ValueError(
+                "mutliclass_strategy has to be either ovr or ovo"
+                f" but got {self.multiclass_strategy}"
+            )
+        if self.multiclass_strategy == "ovo":
+            if self.kernel == "liblinear":
+                raise ValueError(
+                    "The kernel liblinear is incompatible with ovo "
+                    "multiclass_strategy"
+                )
+            if self.split_criteria == "max_samples":
+                raise ValueError(
+                    "The multiclass_strategy 'ovo' is incompatible with "
+                    "split_criteria 'max_samples'"
+                )
+        kernels = ["liblinear", "linear", "rbf", "poly", "sigmoid"]
+        if self.kernel not in kernels:
+            raise ValueError(f"Kernel {self.kernel} not in {kernels}")
         check_classification_targets(y)
         X, y = check_X_y(X, y)
-        sample_weight = _check_sample_weight(sample_weight, X)
+        sample_weight = _check_sample_weight(
+            sample_weight, X, dtype=np.float64
+        )
+        if not any(sample_weight):
+            raise ValueError(
+                "Invalid input - all samples have zero or negative weights."
+            )
         check_classification_targets(y)
         # Initialize computed parameters
         self.splitter_ = Splitter(
             clf=self._build_clf(),
             criterion=self.criterion,
-            splitter_type=self.splitter,
+            feature_select=self.splitter,
             criteria=self.split_criteria,
             random_state=self.random_state,
             min_samples_split=self.min_samples_split,
+            normalize=self.normalize,
         )
         if self.random_state is not None:
             random.seed(self.random_state)
@@ -399,88 +266,87 @@ class Stree(BaseEstimator, ClassifierMixin):
         self.n_features_ = X.shape[1]
         self.n_features_in_ = X.shape[1]
         self.max_features_ = self._initialize_max_features()
-        self.tree_ = self.train(X, y, sample_weight, 1, "root")
-        self._build_predictor()
+        self.tree_ = self._train(X, y, sample_weight, 1, "root")
+        self.X_ = X
+        self.y_ = y
         return self
 
-    def train(
+    def _train(
         self,
         X: np.ndarray,
         y: np.ndarray,
         sample_weight: np.ndarray,
         depth: int,
         title: str,
-    ) -> Snode:
+    ) -> Optional[Snode]:
         """Recursive function to split the original dataset into predictor
         nodes (leaves)
 
-        :param X: samples dataset
-        :type X: np.ndarray
-        :param y: samples labels
-        :type y: np.ndarray
-        :param sample_weight: weight of samples. Rescale C per sample.
-        Hi weights force the classifier to put more emphasis on these points.
-        :type sample_weight: np.ndarray
-        :param depth: actual depth in the tree
-        :type depth: int
-        :param title: description of the node
-        :type title: str
-        :return: binary tree
-        :rtype: Snode
+        Parameters
+        ----------
+        X : np.ndarray
+            samples dataset
+        y : np.ndarray
+            samples labels
+        sample_weight : np.ndarray
+            weight of samples. Rescale C per sample.
+        depth : int
+            actual depth in the tree
+        title : str
+            description of the node
+
+        Returns
+        -------
+        Optional[Snode]
+            binary tree
         """
         if depth > self.__max_depth:
             return None
+        # Mask samples with 0 weight
+        if any(sample_weight == 0):
+            indices_zero = sample_weight == 0
+            X = X[~indices_zero, :]
+            y = y[~indices_zero]
+            sample_weight = sample_weight[~indices_zero]
+        self.depth_ = max(depth, self.depth_)
+        scaler = StandardScaler()
+        node = Snode(None, X, y, X.shape[1], 0.0, title, sample_weight, scaler)
         if np.unique(y).shape[0] == 1:
             # only 1 class => pure dataset
-            return Snode(
-                clf=None,
-                X=X,
-                y=y,
-                features=X.shape[1],
-                impurity=0.0,
-                title=title + ", <pure>",
-            )
+            node.set_title(title + ", <pure>")
+            node.make_predictor(self.n_classes_)
+            return node
         # Train the model
         clf = self._build_clf()
         Xs, features = self.splitter_.get_subspace(X, y, self.max_features_)
+        if self.normalize:
+            scaler.fit(Xs)
+            Xs = scaler.transform(Xs)
         clf.fit(Xs, y, sample_weight=sample_weight)
-        impurity = self.splitter_.impurity(y)
-        node = Snode(clf, X, y, features, impurity, title)
-        self.depth_ = max(depth, self.depth_)
-        self.splitter_.partition(X, node)
+        node.set_impurity(self.splitter_.partition_impurity(y))
+        node.set_classifier(clf)
+        node.set_features(features)
+        self.splitter_.partition(X, node, True)
         X_U, X_D = self.splitter_.part(X)
         y_u, y_d = self.splitter_.part(y)
         sw_u, sw_d = self.splitter_.part(sample_weight)
         if X_U is None or X_D is None:
             # didn't part anything
-            return Snode(
-                clf,
-                X,
-                y,
-                features=X.shape[1],
-                impurity=impurity,
-                title=title + ", <cgaf>",
+            node.set_title(title + ", <cgaf>")
+            node.make_predictor(self.n_classes_)
+            return node
+        node.set_up(
+            self._train(X_U, y_u, sw_u, depth + 1, title + f" - Up({depth+1})")
+        )
+        node.set_down(
+            self._train(
+                X_D, y_d, sw_d, depth + 1, title + f" - Down({depth+1})"
             )
-        node.set_up(self.train(X_U, y_u, sw_u, depth + 1, title + " - Up"))
-        node.set_down(self.train(X_D, y_d, sw_d, depth + 1, title + " - Down"))
+        )
         return node
 
-    def _build_predictor(self):
-        """Process the leaves to make them predictors
-        """
-
-        def run_tree(node: Snode):
-            if node.is_leaf():
-                node.make_predictor()
-                return
-            run_tree(node.get_down())
-            run_tree(node.get_up())
-
-        run_tree(self.tree_)
-
     def _build_clf(self):
-        """ Build the correct classifier for the node
-        """
+        """Build the right classifier for the node"""
         return (
             LinearSVC(
                 max_iter=self.max_iter,
@@ -488,7 +354,7 @@ class Stree(BaseEstimator, ClassifierMixin):
                 C=self.C,
                 tol=self.tol,
             )
-            if self.kernel == "linear"
+            if self.kernel == "liblinear"
             else SVC(
                 kernel=self.kernel,
                 max_iter=self.max_iter,
@@ -496,53 +362,66 @@ class Stree(BaseEstimator, ClassifierMixin):
                 C=self.C,
                 gamma=self.gamma,
                 degree=self.degree,
+                random_state=self.random_state,
+                decision_function_shape=self.multiclass_strategy,
             )
         )
 
-    @staticmethod
-    def _reorder_results(y: np.array, indices: np.array) -> np.array:
-        """Reorder an array based on the array of indices passed
+    def __predict_class(self, X: np.array) -> np.array:
+        """Compute the predicted class for the samples in X. Returns the number
+        of samples of each class in the corresponding leaf node.
 
-        :param y: data untidy
-        :type y: np.array
-        :param indices: indices used to set order
-        :type indices: np.array
-        :return: array y ordered
-        :rtype: np.array
-        """
-        # return array of same type given in y
-        y_ordered = y.copy()
-        indices = indices.astype(int)
-        for i, index in enumerate(indices):
-            y_ordered[index] = y[i]
-        return y_ordered
+        Parameters
+        ----------
+        X : np.array
+            Array of samples
 
-    def predict(self, X: np.array) -> np.array:
-        """Predict labels for each sample in dataset passed
-
-        :param X: dataset of samples
-        :type X: np.array
-        :return: array of labels
-        :rtype: np.array
+        Returns
+        -------
+        np.array
+            Array of shape (n_samples, n_classes) with the number of samples
+            of each class in the corresponding leaf node
         """
 
-        def predict_class(
-            xp: np.array, indices: np.array, node: Snode
-        ) -> np.array:
+        def compute_prediction(xp, indices, node):
             if xp is None:
-                return [], []
+                return
             if node.is_leaf():
-                # set a class for every sample in dataset
-                prediction = np.full((xp.shape[0], 1), node._class)
-                return prediction, indices
-            self.splitter_.partition(xp, node)
+                # set a class for indices
+                result[indices] = node._proba
+                return
+            self.splitter_.partition(xp, node, train=False)
             x_u, x_d = self.splitter_.part(xp)
             i_u, i_d = self.splitter_.part(indices)
-            prx_u, prin_u = predict_class(x_u, i_u, node.get_up())
-            prx_d, prin_d = predict_class(x_d, i_d, node.get_down())
-            return np.append(prx_u, prx_d), np.append(prin_u, prin_d)
+            compute_prediction(x_u, i_u, node.get_up())
+            compute_prediction(x_d, i_d, node.get_down())
 
-        # sklearn check
+        # setup prediction & make it happen
+        result = np.zeros((X.shape[0], self.n_classes_))
+        indices = np.arange(X.shape[0])
+        compute_prediction(X, indices, self.tree_)
+        return result
+
+    def check_predict(self, X) -> np.array:
+        """Checks predict and predict_proba preconditions. If input X is not an
+        np.array convert it to one.
+
+        Parameters
+        ----------
+        X : np.ndarray
+            Array of samples
+
+        Returns
+        -------
+        np.array
+            Array of samples
+
+        Raises
+        ------
+        ValueError
+            If number of features of X is different of the number of features
+            in training data
+        """
         check_is_fitted(self, ["tree_"])
         # Input validation
         X = check_array(X)
@@ -551,47 +430,85 @@ class Stree(BaseEstimator, ClassifierMixin):
                 f"Expected {self.n_features_} features but got "
                 f"({X.shape[1]})"
             )
-        # setup prediction & make it happen
-        indices = np.arange(X.shape[0])
-        result = (
-            self._reorder_results(*predict_class(X, indices, self.tree_))
-            .astype(int)
-            .ravel()
-        )
-        return self.classes_[result]
+        return X
 
-    def score(
-        self, X: np.array, y: np.array, sample_weight: np.array = None
-    ) -> float:
-        """Compute accuracy of the prediction
+    def predict_proba(self, X: np.array) -> np.array:
+        """Predict class probabilities of the input samples X.
 
-        :param X: dataset of samples to make predictions
-        :type X: np.array
-        :param y_true: samples labels
-        :type y_true: np.array
-        :param sample_weight: weights of the samples. Rescale C per sample.
-        Hi' weights force the classifier to put more emphasis on these points
-        :type sample_weight: np.array optional
-        :return: accuracy of the prediction
-        :rtype: float
+        The predicted class probability is the fraction of samples of the same
+        class in a leaf.
+
+        Parameters
+        ----------
+        X : dataset of samples.
+
+        Returns
+        -------
+        proba : array of shape (n_samples, n_classes)
+            The class probabilities of the input samples.
+
+        Raises
+        ------
+        ValueError
+            if dataset with inconsistent number of features
+        NotFittedError
+            if model is not fitted
         """
-        # sklearn check
-        check_is_fitted(self)
-        check_classification_targets(y)
-        X, y = check_X_y(X, y)
-        y_pred = self.predict(X).reshape(y.shape)
-        # Compute accuracy for each possible representation
-        _, y_true, y_pred = _check_targets(y, y_pred)
-        check_consistent_length(y_true, y_pred, sample_weight)
-        score = y_true == y_pred
-        return _weighted_sum(score, sample_weight, normalize=True)
+
+        X = self.check_predict(X)
+        # return # of samples of each class in leaf node
+        values = self.__predict_class(X)
+        normalizer = values.sum(axis=1)[:, np.newaxis]
+        normalizer[normalizer == 0.0] = 1.0
+        return values / normalizer
+
+    def predict(self, X: np.array) -> np.array:
+        """Predict labels for each sample in dataset passed
+
+        Parameters
+        ----------
+        X : np.array
+            dataset of samples
+
+        Returns
+        -------
+        np.array
+            array of labels
+
+        Raises
+        ------
+        ValueError
+            if dataset with inconsistent number of features
+        NotFittedError
+            if model is not fitted
+        """
+        X = self.check_predict(X)
+        return self.classes_[np.argmax(self.__predict_class(X), axis=1)]
+
+    def nodes_leaves(self) -> tuple:
+        """Compute the number of nodes and leaves in the built tree
+
+        Returns
+        -------
+        [tuple]
+            tuple with the number of nodes and the number of leaves
+        """
+        nodes = 0
+        leaves = 0
+        for node in self:
+            nodes += 1
+            if node.is_leaf():
+                leaves += 1
+        return nodes, leaves
 
     def __iter__(self) -> Siterator:
         """Create an iterator to be able to visit the nodes of the tree in
         preorder, can make a list with all the nodes in preorder
 
-        :return: an iterator, can for i in... and list(...)
-        :rtype: Siterator
+        Returns
+        -------
+        Siterator
+            an iterator, can for i in... and list(...)
         """
         try:
             tree = self.tree_
@@ -599,11 +516,30 @@ class Stree(BaseEstimator, ClassifierMixin):
             tree = None
         return Siterator(tree)
 
+    def graph(self, title="") -> str:
+        """Graphviz code representing the tree
+
+        Returns
+        -------
+        str
+            graphviz code
+        """
+        output = (
+            "digraph STree {\nlabel=<STree "
+            f"{title}>\nfontsize=30\nfontcolor=blue\nlabelloc=t\n"
+        )
+        for node in self:
+            output += node.graph()
+        output += "}\n"
+        return output
+
     def __str__(self) -> str:
         """String representation of the tree
 
-        :return: description of nodes in the tree in preorder
-        :rtype: str
+        Returns
+        -------
+        str
+            description of nodes in the tree in preorder
         """
         output = ""
         for i in self:
@@ -627,6 +563,12 @@ class Stree(BaseEstimator, ClassifierMixin):
         elif self.max_features is None:
             max_features = self.n_features_
         elif isinstance(self.max_features, numbers.Integral):
+            if self.max_features > self.n_features_:
+                raise ValueError(
+                    "Invalid value for max_features. "
+                    "It can not be greater than number of features "
+                    f"({self.n_features_})"
+                )
             max_features = self.max_features
         else:  # float
             if self.max_features > 0.0:

stree/__init__.py

@@ -1,3 +1,8 @@
-from .Strees import Stree, Snode, Siterator, Splitter
+from .Strees import Stree, Siterator
 
-__all__ = ["Stree", "Snode", "Siterator", "Splitter"]
+__author__ = "Ricardo Montañana Gómez"
+__copyright__ = "Copyright 2020-2021, Ricardo Montañana Gómez"
+__license__ = "MIT License"
+__author_email__ = "ricardo.montanana@alu.uclm.es"
+
+__all__ = ["Stree", "Siterator"]

stree/_version.py

@@ -0,0 +1 @@
+__version__ = "1.3.0"

stree/tests/Snode_test.py

@@ -1,16 +1,19 @@
 import os
 import unittest
-
 import numpy as np
-
-from stree import Stree, Snode
+from stree import Stree
+from stree.Splitter import Snode
 from .utils import load_dataset
 
 
 class Snode_test(unittest.TestCase):
     def __init__(self, *args, **kwargs):
         self._random_state = 1
-        self._clf = Stree(random_state=self._random_state)
+        self._clf = Stree(
+            random_state=self._random_state,
+            kernel="liblinear",
+            multiclass_strategy="ovr",
+        )
         self._clf.fit(*load_dataset(self._random_state))
         super().__init__(*args, **kwargs)
 
@@ -33,22 +36,20 @@ class Snode_test(unittest.TestCase):
             max_card = max(card)
             min_card = min(card)
             if len(classes) > 1:
-                try:
-                    belief = max_card / (max_card + min_card)
-                except ZeroDivisionError:
-                    belief = 0.0
+                belief = max_card / (max_card + min_card)
             else:
                 belief = 1
             self.assertEqual(belief, node._belief)
             # Check Class
             class_computed = classes[card == max_card]
             self.assertEqual(class_computed, node._class)
+            # Check Partition column
+            self.assertEqual(node._partition_column, -1)
 
         check_leave(self._clf.tree_)
 
     def test_nodes_coefs(self):
-        """Check if the nodes of the tree have the right attributes filled
-        """
+        """Check if the nodes of the tree have the right attributes filled"""
 
         def run_tree(node: Snode):
             if node._belief < 1:
@@ -57,28 +58,62 @@ class Snode_test(unittest.TestCase):
                 self.assertIsNotNone(node._clf.coef_)
             if node.is_leaf():
                 return
-            run_tree(node.get_down())
             run_tree(node.get_up())
+            run_tree(node.get_down())
 
-        run_tree(self._clf.tree_)
+        model = Stree(self._random_state)
+        model.fit(*load_dataset(self._random_state, 3, 4))
+        run_tree(model.tree_)
 
     def test_make_predictor_on_leaf(self):
         test = Snode(None, [1, 2, 3, 4], [1, 0, 1, 1], [], 0.0, "test")
-        test.make_predictor()
+        test.make_predictor(2)
         self.assertEqual(1, test._class)
         self.assertEqual(0.75, test._belief)
+        self.assertEqual(-1, test._partition_column)
+        self.assertListEqual([1, 3], test._proba.tolist())
 
     def test_make_predictor_on_not_leaf(self):
         test = Snode(None, [1, 2, 3, 4], [1, 0, 1, 1], [], 0.0, "test")
         test.set_up(Snode(None, [1], [1], [], 0.0, "another_test"))
-        test.make_predictor()
+        test.make_predictor(2)
         self.assertIsNone(test._class)
         self.assertEqual(0, test._belief)
+        self.assertEqual(-1, test._partition_column)
+        self.assertEqual(-1, test.get_up()._partition_column)
+        self.assertIsNone(test._proba)
 
     def test_make_predictor_on_leaf_bogus_data(self):
         test = Snode(None, [1, 2, 3, 4], [], [], 0.0, "test")
-        test.make_predictor()
+        test.make_predictor(2)
         self.assertIsNone(test._class)
+        self.assertEqual(-1, test._partition_column)
+        self.assertListEqual([0, 0], test._proba.tolist())
+
+    def test_set_title(self):
+        test = Snode(None, [1, 2, 3, 4], [1, 0, 1, 1], [], 0.0, "test")
+        self.assertEqual("test", test.get_title())
+        test.set_title("another")
+        self.assertEqual("another", test.get_title())
+
+    def test_set_classifier(self):
+        test = Snode(None, [1, 2, 3, 4], [1, 0, 1, 1], [], 0.0, "test")
+        clf = Stree()
+        self.assertIsNone(test.get_classifier())
+        test.set_classifier(clf)
+        self.assertEqual(clf, test.get_classifier())
+
+    def test_set_impurity(self):
+        test = Snode(None, [1, 2, 3, 4], [1, 0, 1, 1], [], 0.0, "test")
+        self.assertEqual(0.0, test.get_impurity())
+        test.set_impurity(54.7)
+        self.assertEqual(54.7, test.get_impurity())
+
+    def test_set_features(self):
+        test = Snode(None, [1, 2, 3, 4], [1, 0, 1, 1], [0, 1], 0.0, "test")
+        self.assertListEqual([0, 1], test.get_features())
+        test.set_features([1, 2])
+        self.assertListEqual([1, 2], test.get_features())
 
     def test_copy_node(self):
         px = [1, 2, 3, 4]
@@ -89,3 +124,6 @@ class Snode_test(unittest.TestCase):
         self.assertListEqual(computed._y, py)
         self.assertEqual("test", computed._title)
         self.assertIsInstance(computed._clf, Stree)
+        self.assertEqual(test._partition_column, computed._partition_column)
+        self.assertEqual(test._sample_weight, computed._sample_weight)
+        self.assertEqual(test._scaler, computed._scaler)

stree/tests/Splitter_test.py

@@ -1,11 +1,12 @@
 import os
 import unittest
+import random
 
 import numpy as np
-from sklearn.svm import LinearSVC
-
-from stree import Splitter
-from .utils import load_dataset
+from sklearn.svm import SVC
+from sklearn.datasets import load_wine, load_iris
+from stree.Splitter import Splitter
+from .utils import load_dataset, load_disc_dataset
 
 
 class Splitter_test(unittest.TestCase):
@@ -15,17 +16,17 @@ class Splitter_test(unittest.TestCase):
 
     @staticmethod
     def build(
-        clf=LinearSVC(),
+        clf=SVC,
         min_samples_split=0,
-        splitter_type="random",
+        feature_select="random",
         criterion="gini",
-        criteria="min_distance",
+        criteria="max_samples",
         random_state=None,
     ):
         return Splitter(
-            clf=clf,
+            clf=clf(random_state=random_state, kernel="rbf"),
             min_samples_split=min_samples_split,
-            splitter_type=splitter_type,
+            feature_select=feature_select,
             criterion=criterion,
             criteria=criteria,
             random_state=random_state,
@@ -39,48 +40,92 @@ class Splitter_test(unittest.TestCase):
         with self.assertRaises(ValueError):
             self.build(criterion="duck")
         with self.assertRaises(ValueError):
-            self.build(splitter_type="duck")
+            self.build(feature_select="duck")
         with self.assertRaises(ValueError):
             self.build(criteria="duck")
         with self.assertRaises(ValueError):
-            self.build(clf=None)
-        for splitter_type in ["best", "random"]:
+            _ = Splitter(clf=None)
+        for feature_select in ["best", "random"]:
             for criterion in ["gini", "entropy"]:
-                for criteria in ["min_distance", "max_samples"]:
+                for criteria in ["max_samples", "impurity"]:
                     tcl = self.build(
-                        splitter_type=splitter_type,
+                        feature_select=feature_select,
                         criterion=criterion,
                         criteria=criteria,
                     )
-                    self.assertEqual(splitter_type, tcl._splitter_type)
+                    self.assertEqual(feature_select, tcl._feature_select)
                     self.assertEqual(criterion, tcl._criterion)
                     self.assertEqual(criteria, tcl._criteria)
 
     def test_gini(self):
-        y = [0, 1, 1, 1, 1, 1, 0, 0, 0, 1]
-        expected = 0.48
-        self.assertEqual(expected, Splitter._gini(y))
-        tcl = self.build(criterion="gini")
-        self.assertEqual(expected, tcl.criterion_function(y))
+        expected_values = [
+            ([0, 1, 1, 1, 1, 1, 0, 0, 0, 1], 0.48),
+            ([0, 1, 1, 2, 2, 3, 4, 5, 3, 2, 1, 1], 0.7777777777777778),
+            ([0, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 2, 2, 2], 0.520408163265306),
+            ([0, 0, 1, 1, 1, 1, 0, 0], 0.5),
+            ([0, 0, 1, 1, 2, 2, 3, 3], 0.75),
+            ([0, 0, 1, 1, 1, 1, 1, 1], 0.375),
+            ([0], 0),
+            ([1, 1, 1, 1], 0),
+        ]
+        for labels, expected in expected_values:
+            self.assertAlmostEqual(expected, Splitter._gini(labels))
+            tcl = self.build(criterion="gini")
+            self.assertAlmostEqual(expected, tcl.criterion_function(labels))
 
     def test_entropy(self):
-        y = [0, 1, 1, 1, 1, 1, 0, 0, 0, 1]
-        expected = 0.9709505944546686
-        self.assertAlmostEqual(expected, Splitter._entropy(y))
-        tcl = self.build(criterion="entropy")
-        self.assertEqual(expected, tcl.criterion_function(y))
+        expected_values = [
+            ([0, 1, 1, 1, 1, 1, 0, 0, 0, 1], 0.9709505944546686),
+            ([0, 1, 1, 2, 2, 3, 4, 5, 3, 2, 1, 1], 0.9111886696810589),
+            ([0, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 2, 2, 2], 0.8120406807940999),
+            ([0, 0, 1, 1, 1, 1, 0, 0], 1),
+            ([0, 0, 1, 1, 2, 2, 3, 3], 1),
+            ([0, 0, 1, 1, 1, 1, 1, 1], 0.8112781244591328),
+            ([1], 0),
+            ([0, 0, 0, 0], 0),
+        ]
+        for labels, expected in expected_values:
+            self.assertAlmostEqual(expected, Splitter._entropy(labels))
+            tcl = self.build(criterion="entropy")
+            self.assertAlmostEqual(expected, tcl.criterion_function(labels))
 
     def test_information_gain(self):
-        yu = np.array([0, 1, 1, 1, 1, 1])
-        yd = np.array([0, 0, 0, 1])
-        values_expected = [
-            ("gini", 0.31666666666666665),
-            ("entropy", 0.7145247027726656),
+        expected_values = [
+            (
+                [0, 1, 1, 1, 1, 1],
+                [0, 0, 0, 1],
+                0.16333333333333333,
+                0.25642589168200297,
+            ),
+            (
+                [0, 1, 1, 2, 2, 3, 4, 5, 3, 2, 1, 1],
+                [5, 3, 2, 1, 1],
+                0.007381776239907684,
+                -0.03328610916207225,
+            ),
+            ([], [], 0.0, 0.0),
+            ([1], [], 0.0, 0.0),
+            ([], [1], 0.0, 0.0),
+            ([0, 0, 0, 0], [0, 0], 0.0, 0.0),
+            ([], [1, 1, 1, 2], 0.0, 0.0),
+            (None, [1, 2, 3], 0.0, 0.0),
+            ([1, 2, 3], None, 0.0, 0.0),
         ]
-        for criterion, expected in values_expected:
-            tcl = self.build(criterion=criterion)
-            computed = tcl.information_gain(yu, yd)
-            self.assertAlmostEqual(expected, computed)
+        for yu, yd, expected_gini, expected_entropy in expected_values:
+            yu = np.array(yu, dtype=np.int32) if yu is not None else None
+            yd = np.array(yd, dtype=np.int32) if yd is not None else None
+            if yu is not None and yd is not None:
+                complete = np.append(yu, yd)
+            elif yd is not None:
+                complete = yd
+            else:
+                complete = yu
+            tcl = self.build(criterion="gini")
+            computed = tcl.information_gain(complete, yu, yd)
+            self.assertAlmostEqual(expected_gini, computed)
+            tcl = self.build(criterion="entropy")
+            computed = tcl.information_gain(complete, yu, yd)
+            self.assertAlmostEqual(expected_entropy, computed)
 
     def test_max_samples(self):
         tcl = self.build(criteria="max_samples")
@@ -90,53 +135,178 @@ class Splitter_test(unittest.TestCase):
                 [0.7, 0.01, -0.1],
                 [0.7, -0.9, 0.5],
                 [0.1, 0.2, 0.3],
+                [-0.1, 0.2, 0.3],
+                [-0.1, 0.2, 0.3],
             ]
         )
-        expected = np.array([0.2, 0.01, -0.9, 0.2])
-        y = [1, 2, 1, 0]
+        expected = data[:, 0]
+        y = [1, 2, 1, 0, 0, 0]
         computed = tcl._max_samples(data, y)
-        self.assertEqual((4,), computed.shape)
-        self.assertListEqual(expected.tolist(), computed.tolist())
+        self.assertEqual(0, computed)
+        computed_data = data[:, computed]
+        self.assertEqual((6,), computed_data.shape)
+        self.assertListEqual(expected.tolist(), computed_data.tolist())
 
-    def test_min_distance(self):
-        tcl = self.build()
+    def test_impurity(self):
+        tcl = self.build(criteria="impurity")
         data = np.array(
             [
                 [-0.1, 0.2, -0.3],
                 [0.7, 0.01, -0.1],
                 [0.7, -0.9, 0.5],
                 [0.1, 0.2, 0.3],
+                [-0.1, 0.2, 0.3],
+                [-0.1, 0.2, 0.3],
             ]
         )
-        expected = np.array([-0.1, 0.01, 0.5, 0.1])
-        computed = tcl._min_distance(data, None)
-        self.assertEqual((4,), computed.shape)
-        self.assertListEqual(expected.tolist(), computed.tolist())
+        expected = data[:, 2]
+        y = np.array([1, 2, 1, 0, 0, 0])
+        computed = tcl._impurity(data, y)
+        self.assertEqual(2, computed)
+        computed_data = data[:, computed]
+        self.assertEqual((6,), computed_data.shape)
+        self.assertListEqual(expected.tolist(), computed_data.tolist())
+
+    def test_generate_subspaces(self):
+        features = 250
+        for max_features in range(2, features):
+            num = len(Splitter._generate_spaces(features, max_features))
+            self.assertEqual(5, num)
+        self.assertEqual(3, len(Splitter._generate_spaces(3, 2)))
+        self.assertEqual(4, len(Splitter._generate_spaces(4, 3)))
+
+    def test_best_splitter_few_sets(self):
+        X, y = load_iris(return_X_y=True)
+        X = np.delete(X, 3, 1)
+        tcl = self.build(
+            feature_select="best", random_state=self._random_state
+        )
+        dataset, computed = tcl.get_subspace(X, y, max_features=2)
+        self.assertListEqual([0, 2], list(computed))
+        self.assertListEqual(X[:, computed].tolist(), dataset.tolist())
 
     def test_splitter_parameter(self):
         expected_values = [
-            [1, 7, 9],
-            [1, 7, 9],
-            [1, 7, 9],
-            [1, 7, 9],
-            [0, 5, 6],
-            [0, 5, 6],
-            [0, 5, 6],
-            [0, 5, 6],
+            [0, 6, 11, 12],  # best   entropy max_samples
+            [0, 6, 11, 12],  # best   entropy impurity
+            [0, 6, 11, 12],  # best   gini    max_samples
+            [0, 6, 11, 12],  # best   gini    impurity
+            [0, 3, 8, 12],  # random entropy max_samples
+            [0, 3, 7, 12],  # random entropy impurity
+            [1, 7, 9, 12],  # random gini    max_samples
+            [1, 5, 8, 12],  # random gini    impurity
+            [6, 9, 11, 12],  # mutual entropy max_samples
+            [6, 9, 11, 12],  # mutual entropy impurity
+            [6, 9, 11, 12],  # mutual gini    max_samples
+            [6, 9, 11, 12],  # mutual gini    impurity
         ]
-        X, y = load_dataset(self._random_state, n_features=12)
-        for splitter_type in ["best", "random"]:
-            for criterion in ["gini", "entropy"]:
-                for criteria in ["min_distance", "max_samples"]:
+        X, y = load_wine(return_X_y=True)
+        rn = 0
+        for feature_select in ["best", "random", "mutual"]:
+            for criterion in ["entropy", "gini"]:
+                for criteria in [
+                    "max_samples",
+                    "impurity",
+                ]:
                     tcl = self.build(
-                        splitter_type=splitter_type,
+                        feature_select=feature_select,
                         criterion=criterion,
                         criteria=criteria,
-                        random_state=self._random_state,
                     )
                     expected = expected_values.pop(0)
-                    dataset, computed = tcl.get_subspace(X, y, max_features=3)
-                    self.assertListEqual(expected, list(computed))
+                    random.seed(rn)
+                    rn += 1
+                    dataset, computed = tcl.get_subspace(X, y, max_features=4)
+                    # print(
+                    #     "{},  # {:7s}{:8s}{:15s}".format(
+                    #         list(computed),
+                    #         feature_select,
+                    #         criterion,
+                    #         criteria,
+                    #     )
+                    # )
+                    self.assertListEqual(expected, sorted(list(computed)))
                     self.assertListEqual(
                         X[:, computed].tolist(), dataset.tolist()
                     )
+
+    def test_get_best_subspaces(self):
+        results = [
+            (4, [3, 4, 11, 13]),
+            (7, [1, 3, 4, 5, 11, 13, 16]),
+            (9, [1, 3, 4, 5, 7, 10, 11, 13, 16]),
+        ]
+        X, y = load_dataset(n_features=20)
+        for k, expected in results:
+            tcl = self.build(
+                feature_select="best",
+            )
+            Xs, computed = tcl.get_subspace(X, y, k)
+            self.assertListEqual(expected, list(computed))
+            self.assertListEqual(X[:, expected].tolist(), Xs.tolist())
+
+    def test_get_best_subspaces_discrete(self):
+        results = [
+            (4, [0, 3, 16, 18]),
+            (7, [0, 3, 13, 14, 16, 18, 19]),
+            (9, [0, 3, 7, 13, 14, 15, 16, 18, 19]),
+        ]
+        X, y = load_disc_dataset(n_features=20)
+        for k, expected in results:
+            tcl = self.build(
+                feature_select="best",
+            )
+            Xs, computed = tcl.get_subspace(X, y, k)
+            self.assertListEqual(expected, list(computed))
+            self.assertListEqual(X[:, expected].tolist(), Xs.tolist())
+
+    def test_get_cfs_subspaces(self):
+        results = [
+            (4, [1, 5, 9, 12]),
+            (6, [1, 5, 9, 12, 4, 2]),
+            (7, [1, 5, 9, 12, 4, 2, 3]),
+        ]
+        X, y = load_dataset(n_features=20, n_informative=7)
+        for k, expected in results:
+            tcl = self.build(feature_select="cfs")
+            Xs, computed = tcl.get_subspace(X, y, k)
+            self.assertListEqual(expected, list(computed))
+            self.assertListEqual(X[:, expected].tolist(), Xs.tolist())
+
+    def test_get_fcbf_subspaces(self):
+        results = [
+            (4, [1, 5, 9, 12]),
+            (6, [1, 5, 9, 12, 4, 2]),
+            (7, [1, 5, 9, 12, 4, 2, 16]),
+        ]
+        for rs, expected in results:
+            X, y = load_dataset(n_features=20, n_informative=7)
+            tcl = self.build(feature_select="fcbf", random_state=rs)
+            Xs, computed = tcl.get_subspace(X, y, rs)
+            self.assertListEqual(expected, list(computed))
+            self.assertListEqual(X[:, expected].tolist(), Xs.tolist())
+
+    def test_get_iwss_subspaces(self):
+        results = [
+            (4, [1, 5, 9, 12]),
+            (6, [1, 5, 9, 12, 4, 15]),
+        ]
+        for rs, expected in results:
+            X, y = load_dataset(n_features=20, n_informative=7)
+            tcl = self.build(feature_select="iwss", random_state=rs)
+            Xs, computed = tcl.get_subspace(X, y, rs)
+            self.assertListEqual(expected, list(computed))
+            self.assertListEqual(X[:, expected].tolist(), Xs.tolist())
+
+    def test_get_trandom_subspaces(self):
+        results = [
+            (4, [3, 7, 9, 12]),
+            (6, [0, 1, 2, 8, 15, 18]),
+            (7, [1, 2, 4, 8, 10, 12, 13]),
+        ]
+        for rs, expected in results:
+            X, y = load_dataset(n_features=20, n_informative=7)
+            tcl = self.build(feature_select="trandom", random_state=rs)
+            Xs, computed = tcl.get_subspace(X, y, rs)
+            self.assertListEqual(expected, list(computed))
+            self.assertListEqual(X[:, expected].tolist(), Xs.tolist())

stree/tests/Stree_test.py

@@ -1,30 +1,51 @@
 import os
 import unittest
+import warnings
 
 import numpy as np
-from sklearn.datasets import load_iris
+from sklearn.datasets import load_iris, load_wine
+from sklearn.exceptions import ConvergenceWarning
+from sklearn.svm import LinearSVC
 
-from stree import Stree, Snode
+from stree import Stree
+from stree.Splitter import Snode
 from .utils import load_dataset
+from .._version import __version__
 
 
 class Stree_test(unittest.TestCase):
     def __init__(self, *args, **kwargs):
         self._random_state = 1
-        self._kernels = ["linear", "rbf", "poly"]
+        self._kernels = ["liblinear", "linear", "rbf", "poly", "sigmoid"]
         super().__init__(*args, **kwargs)
 
     @classmethod
     def setUp(cls):
         os.environ["TESTING"] = "1"
 
+    def test_valid_kernels(self):
+        X, y = load_dataset()
+        for kernel in self._kernels:
+            clf = Stree(kernel=kernel, multiclass_strategy="ovr")
+            clf.fit(X, y)
+            self.assertIsNotNone(clf.tree_)
+
+    def test_bogus_kernel(self):
+        kernel = "other"
+        X, y = load_dataset()
+        clf = Stree(kernel=kernel)
+        with self.assertRaises(ValueError):
+            clf.fit(X, y)
+
     def _check_tree(self, node: Snode):
         """Check recursively that the nodes that are not leaves have the
         correct number of labels and its sons have the right number of elements
         in their dataset
 
-        Arguments:
-            node {Snode} -- node to check
+        Parameters
+        ----------
+        node : Snode
+            node to check
         """
         if node.is_leaf():
             return
@@ -35,61 +56,49 @@ class Stree_test(unittest.TestCase):
         # i.e. The partition algorithm didn't forget any sample
         self.assertEqual(node._y.shape[0], y_down.shape[0] + y_up.shape[0])
         unique_y, count_y = np.unique(node._y, return_counts=True)
-        _, count_d = np.unique(y_down, return_counts=True)
-        _, count_u = np.unique(y_up, return_counts=True)
+        labels_d, count_d = np.unique(y_down, return_counts=True)
+        labels_u, count_u = np.unique(y_up, return_counts=True)
+        dict_d = {label: count_d[i] for i, label in enumerate(labels_d)}
+        dict_u = {label: count_u[i] for i, label in enumerate(labels_u)}
         #
         for i in unique_y:
             try:
-                number_down = count_d[i]
-            except IndexError:
-                number_down = 0
-            try:
-                number_up = count_u[i]
-            except IndexError:
+                number_up = dict_u[i]
+            except KeyError:
                 number_up = 0
+            try:
+                number_down = dict_d[i]
+            except KeyError:
+                number_down = 0
             self.assertEqual(count_y[i], number_down + number_up)
         # Is the partition made the same as the prediction?
         # as the node is not a leaf...
         _, count_yp = np.unique(y_prediction, return_counts=True)
-        self.assertEqual(count_yp[0], y_up.shape[0])
-        self.assertEqual(count_yp[1], y_down.shape[0])
+        self.assertEqual(count_yp[1], y_up.shape[0])
+        self.assertEqual(count_yp[0], y_down.shape[0])
         self._check_tree(node.get_down())
         self._check_tree(node.get_up())
 
     def test_build_tree(self):
-        """Check if the tree is built the same way as predictions of models
-        """
-        import warnings
-
+        """Check if the tree is built the same way as predictions of models"""
         warnings.filterwarnings("ignore")
         for kernel in self._kernels:
-            clf = Stree(kernel=kernel, random_state=self._random_state)
+            clf = Stree(
+                kernel="sigmoid",
+                multiclass_strategy="ovr" if kernel == "liblinear" else "ovo",
+                random_state=self._random_state,
+            )
             clf.fit(*load_dataset(self._random_state))
             self._check_tree(clf.tree_)
 
-    @staticmethod
-    def _find_out(px: np.array, x_original: np.array, y_original) -> list:
-        """Find the original values of y for a given array of samples
-
-        Arguments:
-            px {np.array} -- array of samples to search for
-            x_original {np.array} -- original dataset
-            y_original {[type]} -- original classes
-
-        Returns:
-            np.array -- classes of the given samples
-        """
-        res = []
-        for needle in px:
-            for row in range(x_original.shape[0]):
-                if all(x_original[row, :] == needle):
-                    res.append(y_original[row])
-        return res
-
     def test_single_prediction(self):
         X, y = load_dataset(self._random_state)
         for kernel in self._kernels:
-            clf = Stree(kernel=kernel, random_state=self._random_state)
+            clf = Stree(
+                kernel=kernel,
+                multiclass_strategy="ovr" if kernel == "liblinear" else "ovo",
+                random_state=self._random_state,
+            )
             yp = clf.fit(X, y).predict((X[0, :].reshape(-1, X.shape[1])))
             self.assertEqual(yp[0], y[0])
 
@@ -97,26 +106,46 @@ class Stree_test(unittest.TestCase):
         # First 27 elements the predictions are the same as the truth
         num = 27
         X, y = load_dataset(self._random_state)
-        for kernel in self._kernels:
-            clf = Stree(kernel=kernel, random_state=self._random_state)
+        for kernel in ["liblinear", "linear", "rbf", "poly"]:
+            clf = Stree(
+                kernel=kernel,
+                multiclass_strategy="ovr" if kernel == "liblinear" else "ovo",
+                random_state=self._random_state,
+            )
             yp = clf.fit(X, y).predict(X[:num, :])
             self.assertListEqual(y[:num].tolist(), yp.tolist())
 
-    def test_score(self):
+    def test_multiple_predict_proba(self):
+        expected = {
+            "liblinear": {
+                0: [0.02401129943502825, 0.9759887005649718],
+                17: [0.9282970550576184, 0.07170294494238157],
+            },
+            "linear": {
+                0: [0.029329608938547486, 0.9706703910614525],
+                17: [0.9298469387755102, 0.07015306122448979],
+            },
+            "rbf": {
+                0: [0.023448275862068966, 0.976551724137931],
+                17: [0.9458064516129032, 0.05419354838709677],
+            },
+            "poly": {
+                0: [0.01601164483260553, 0.9839883551673945],
+                17: [0.9089790897908979, 0.0910209102091021],
+            },
+        }
+        indices = [0, 17]
         X, y = load_dataset(self._random_state)
-        accuracies = [
-            0.9506666666666667,
-            0.9606666666666667,
-            0.9433333333333334,
-        ]
-        for kernel, accuracy_expected in zip(self._kernels, accuracies):
-            clf = Stree(random_state=self._random_state, kernel=kernel,)
-            clf.fit(X, y)
-            accuracy_score = clf.score(X, y)
-            yp = clf.predict(X)
-            accuracy_computed = np.mean(yp == y)
-            self.assertEqual(accuracy_score, accuracy_computed)
-            self.assertAlmostEqual(accuracy_expected, accuracy_score)
+        for kernel in ["liblinear", "linear", "rbf", "poly"]:
+            clf = Stree(
+                kernel=kernel,
+                multiclass_strategy="ovr" if kernel == "liblinear" else "ovo",
+                random_state=self._random_state,
+            )
+            yp = clf.fit(X, y).predict_proba(X)
+            for index in indices:
+                for exp, comp in zip(expected[kernel][index], yp[index]):
+                    self.assertAlmostEqual(exp, comp)
 
     def test_single_vs_multiple_prediction(self):
         """Check if predicting sample by sample gives the same result as
@@ -124,7 +153,11 @@ class Stree_test(unittest.TestCase):
         """
         X, y = load_dataset(self._random_state)
         for kernel in self._kernels:
-            clf = Stree(kernel=kernel, random_state=self._random_state)
+            clf = Stree(
+                kernel=kernel,
+                multiclass_strategy="ovr" if kernel == "liblinear" else "ovo",
+                random_state=self._random_state,
+            )
             clf.fit(X, y)
             # Compute prediction line by line
             yp_line = np.array([], dtype=int)
@@ -137,26 +170,32 @@ class Stree_test(unittest.TestCase):
             self.assertListEqual(yp_line.tolist(), yp_once.tolist())
 
     def test_iterator_and_str(self):
-        """Check preorder iterator
-        """
+        """Check preorder iterator"""
         expected = [
-            "root feaures=(0, 1, 2) impurity=0.5000",
-            "root - Down feaures=(0, 1, 2) impurity=0.0671",
-            "root - Down - Down, <cgaf> - Leaf class=1 belief= 0.975989 "
-            "impurity=0.0469 counts=(array([0, 1]), array([ 17, 691]))",
-            "root - Down - Up feaures=(0, 1, 2) impurity=0.3967",
-            "root - Down - Up - Down, <cgaf> - Leaf class=1 belief= 0.750000 "
-            "impurity=0.3750 counts=(array([0, 1]), array([1, 3]))",
-            "root - Down - Up - Up, <pure> - Leaf class=0 belief= 1.000000 "
-            "impurity=0.0000 counts=(array([0]), array([7]))",
-            "root - Up, <cgaf> - Leaf class=0 belief= 0.928297 impurity=0.1331"
-            " counts=(array([0, 1]), array([725,  56]))",
+            "root feaures=(0, 1, 2) impurity=1.0000 counts=(array([0, 1]), "
+            "array([750, 750]))",
+            "root - Down(2), <cgaf> - Leaf class=0 belief= 0.928297 impurity="
+            "0.3722 counts=(array([0, 1]), array([725,  56]))",
+            "root - Up(2) feaures=(0, 1, 2) impurity=0.2178 counts=(array([0, "
+            "1]), array([ 25, 694]))",
+            "root - Up(2) - Down(3) feaures=(0, 1, 2) impurity=0.8454 counts="
+            "(array([0, 1]), array([8, 3]))",
+            "root - Up(2) - Down(3) - Down(4), <pure> - Leaf class=0 belief= "
+            "1.000000 impurity=0.0000 counts=(array([0]), array([7]))",
+            "root - Up(2) - Down(3) - Up(4), <cgaf> - Leaf class=1 belief= "
+            "0.750000 impurity=0.8113 counts=(array([0, 1]), array([1, 3]))",
+            "root - Up(2) - Up(3), <cgaf> - Leaf class=1 belief= 0.975989 "
+            "impurity=0.1634 counts=(array([0, 1]), array([ 17, 691]))",
         ]
         computed = []
         expected_string = ""
-        clf = Stree(kernel="linear", random_state=self._random_state)
+        clf = Stree(
+            kernel="liblinear",
+            multiclass_strategy="ovr",
+            random_state=self._random_state,
+        )
         clf.fit(*load_dataset(self._random_state))
-        for node in clf:
+        for node in iter(clf):
             computed.append(str(node))
             expected_string += str(node) + "\n"
         self.assertListEqual(expected, computed)
@@ -164,9 +203,6 @@ class Stree_test(unittest.TestCase):
 
     @staticmethod
     def test_is_a_sklearn_classifier():
-        import warnings
-        from sklearn.exceptions import ConvergenceWarning
-
         warnings.filterwarnings("ignore", category=ConvergenceWarning)
         warnings.filterwarnings("ignore", category=RuntimeWarning)
         from sklearn.utils.estimator_checks import check_estimator
@@ -195,7 +231,12 @@ class Stree_test(unittest.TestCase):
     def test_check_max_depth(self):
         depths = (3, 4)
         for depth in depths:
-            tcl = Stree(random_state=self._random_state, max_depth=depth)
+            tcl = Stree(
+                kernel="liblinear",
+                multiclass_strategy="ovr",
+                random_state=self._random_state,
+                max_depth=depth,
+            )
             tcl.fit(*load_dataset(self._random_state))
             self.assertEqual(depth, tcl.depth_)
 
@@ -216,7 +257,7 @@ class Stree_test(unittest.TestCase):
         for kernel in self._kernels:
             clf = Stree(
                 kernel=kernel,
-                split_criteria="max_samples",
+                multiclass_strategy="ovr" if kernel == "liblinear" else "ovo",
                 random_state=self._random_state,
             )
             px = [[1, 2], [5, 6], [9, 10]]
@@ -227,41 +268,60 @@ class Stree_test(unittest.TestCase):
             self.assertListEqual(py, clf.classes_.tolist())
 
     def test_muticlass_dataset(self):
+        warnings.filterwarnings("ignore", category=ConvergenceWarning)
+        warnings.filterwarnings("ignore", category=RuntimeWarning)
         datasets = {
             "Synt": load_dataset(random_state=self._random_state, n_classes=3),
-            "Iris": load_iris(return_X_y=True),
+            "Iris": load_wine(return_X_y=True),
         }
         outcomes = {
             "Synt": {
-                "max_samples linear": 0.9533333333333334,
-                "max_samples rbf": 0.836,
-                "max_samples poly": 0.9473333333333334,
-                "min_distance linear": 0.9533333333333334,
-                "min_distance rbf": 0.836,
-                "min_distance poly": 0.9473333333333334,
+                "max_samples liblinear": 0.9493333333333334,
+                "max_samples linear": 0.9426666666666667,
+                "max_samples rbf": 0.9606666666666667,
+                "max_samples poly": 0.9373333333333334,
+                "max_samples sigmoid": 0.824,
+                "impurity liblinear": 0.9493333333333334,
+                "impurity linear": 0.9426666666666667,
+                "impurity rbf": 0.9606666666666667,
+                "impurity poly": 0.9373333333333334,
+                "impurity sigmoid": 0.824,
             },
             "Iris": {
-                "max_samples linear": 0.98,
-                "max_samples rbf": 1.0,
-                "max_samples poly": 1.0,
-                "min_distance linear": 0.98,
-                "min_distance rbf": 1.0,
-                "min_distance poly": 1.0,
+                "max_samples liblinear": 0.9550561797752809,
+                "max_samples linear": 1.0,
+                "max_samples rbf": 0.6685393258426966,
+                "max_samples poly": 0.6853932584269663,
+                "max_samples sigmoid": 0.6404494382022472,
+                "impurity liblinear": 0.9550561797752809,
+                "impurity linear": 1.0,
+                "impurity rbf": 0.6685393258426966,
+                "impurity poly": 0.6853932584269663,
+                "impurity sigmoid": 0.6404494382022472,
             },
         }
+
         for name, dataset in datasets.items():
             px, py = dataset
-            for criteria in ["max_samples", "min_distance"]:
+            for criteria in ["max_samples", "impurity"]:
                 for kernel in self._kernels:
                     clf = Stree(
-                        C=1e4,
                         max_iter=1e4,
+                        multiclass_strategy="ovr"
+                        if kernel == "liblinear"
+                        else "ovo",
                         kernel=kernel,
                         random_state=self._random_state,
                     )
                     clf.fit(px, py)
                     outcome = outcomes[name][f"{criteria} {kernel}"]
-                    self.assertAlmostEqual(outcome, clf.score(px, py))
+                    # print(f'"{criteria} {kernel}": {clf.score(px, py)},')
+                    self.assertAlmostEqual(
+                        outcome,
+                        clf.score(px, py),
+                        5,
+                        f"{name} - {criteria} - {kernel}",
+                    )
 
     def test_max_features(self):
         n_features = 16
@@ -286,6 +346,12 @@ class Stree_test(unittest.TestCase):
             with self.assertRaises(ValueError):
                 _ = clf._initialize_max_features()
 
+    def test_wrong_max_features(self):
+        X, y = load_dataset(n_features=15)
+        clf = Stree(max_features=16)
+        with self.assertRaises(ValueError):
+            clf.fit(X, y)
+
     def test_get_subspaces(self):
         dataset = np.random.random((10, 16))
         y = np.random.randint(0, 2, 10)
@@ -322,13 +388,372 @@ class Stree_test(unittest.TestCase):
         with self.assertRaises(ValueError):
             clf.predict(X[:, :3])
 
-    def test_score_max_features(self):
+    # Tests of score
+    def test_score_binary(self):
+        """Check score for binary classification."""
         X, y = load_dataset(self._random_state)
-        clf = Stree(random_state=self._random_state, max_features=2)
+        accuracies = [
+            0.9506666666666667,
+            0.9493333333333334,
+            0.9606666666666667,
+            0.9433333333333334,
+            0.9153333333333333,
+        ]
+        for kernel, accuracy_expected in zip(self._kernels, accuracies):
+            clf = Stree(
+                random_state=self._random_state,
+                multiclass_strategy="ovr" if kernel == "liblinear" else "ovo",
+                kernel=kernel,
+            )
+            clf.fit(X, y)
+            accuracy_score = clf.score(X, y)
+            yp = clf.predict(X)
+            accuracy_computed = np.mean(yp == y)
+            self.assertEqual(accuracy_score, accuracy_computed)
+            self.assertAlmostEqual(accuracy_expected, accuracy_score)
+
+    def test_score_max_features(self):
+        """Check score using max_features."""
+        X, y = load_dataset(self._random_state)
+        clf = Stree(
+            kernel="liblinear",
+            multiclass_strategy="ovr",
+            random_state=self._random_state,
+            max_features=2,
+        )
         clf.fit(X, y)
-        self.assertAlmostEqual(0.9426666666666667, clf.score(X, y))
+        self.assertAlmostEqual(0.9453333333333334, clf.score(X, y))
 
     def test_bogus_splitter_parameter(self):
+        """Check that bogus splitter parameter raises exception."""
         clf = Stree(splitter="duck")
         with self.assertRaises(ValueError):
             clf.fit(*load_dataset())
+
+    def test_multiclass_classifier_integrity(self):
+        """Checks if the multiclass operation is done right"""
+        X, y = load_iris(return_X_y=True)
+        clf = Stree(
+            kernel="liblinear", multiclass_strategy="ovr", random_state=0
+        )
+        clf.fit(X, y)
+        score = clf.score(X, y)
+        # Check accuracy of the whole model
+        self.assertAlmostEquals(0.98, score, 5)
+        svm = LinearSVC(random_state=0)
+        svm.fit(X, y)
+        self.assertAlmostEquals(0.9666666666666667, svm.score(X, y), 5)
+        data = svm.decision_function(X)
+        expected = [
+            0.4444444444444444,
+            0.35777777777777775,
+            0.4569777777777778,
+        ]
+        ty = data.copy()
+        ty[data <= 0] = 0
+        ty[data > 0] = 1
+        ty = ty.astype(int)
+        for i in range(3):
+            self.assertAlmostEquals(
+                expected[i],
+                clf.splitter_._gini(ty[:, i]),
+            )
+        # 1st Branch
+        # up has to have 50 samples of class 0
+        # down should have 100 [50, 50]
+        up = data[:, 2] > 0
+        resup = np.unique(y[up], return_counts=True)
+        resdn = np.unique(y[~up], return_counts=True)
+        self.assertListEqual([1, 2], resup[0].tolist())
+        self.assertListEqual([3, 50], resup[1].tolist())
+        self.assertListEqual([0, 1], resdn[0].tolist())
+        self.assertListEqual([50, 47], resdn[1].tolist())
+        # 2nd Branch
+        # up  should have 53 samples of classes [1, 2] [3, 50]
+        # down shoud have 47 samples of class 1
+        node_up = clf.tree_.get_down().get_up()
+        node_dn = clf.tree_.get_down().get_down()
+        resup = np.unique(node_up._y, return_counts=True)
+        resdn = np.unique(node_dn._y, return_counts=True)
+        self.assertListEqual([1, 2], resup[0].tolist())
+        self.assertListEqual([3, 50], resup[1].tolist())
+        self.assertListEqual([1], resdn[0].tolist())
+        self.assertListEqual([47], resdn[1].tolist())
+
+    def test_score_multiclass_rbf(self):
+        """Test score for multiclass classification with rbf kernel."""
+        X, y = load_dataset(
+            random_state=self._random_state,
+            n_classes=3,
+            n_features=5,
+            n_samples=500,
+        )
+        clf = Stree(kernel="rbf", random_state=self._random_state)
+        clf2 = Stree(
+            kernel="rbf", random_state=self._random_state, normalize=True
+        )
+        self.assertEqual(0.966, clf.fit(X, y).score(X, y))
+        self.assertEqual(0.964, clf2.fit(X, y).score(X, y))
+        X, y = load_wine(return_X_y=True)
+        self.assertEqual(0.6685393258426966, clf.fit(X, y).score(X, y))
+        self.assertEqual(1.0, clf2.fit(X, y).score(X, y))
+
+    def test_score_multiclass_poly(self):
+        """Test score for multiclass classification with poly kernel."""
+        X, y = load_dataset(
+            random_state=self._random_state,
+            n_classes=3,
+            n_features=5,
+            n_samples=500,
+        )
+        clf = Stree(
+            kernel="poly", random_state=self._random_state, C=10, degree=5
+        )
+        clf2 = Stree(
+            kernel="poly",
+            random_state=self._random_state,
+            normalize=True,
+        )
+        self.assertEqual(0.946, clf.fit(X, y).score(X, y))
+        self.assertEqual(0.972, clf2.fit(X, y).score(X, y))
+        X, y = load_wine(return_X_y=True)
+        self.assertEqual(0.7808988764044944, clf.fit(X, y).score(X, y))
+        self.assertEqual(1.0, clf2.fit(X, y).score(X, y))
+
+    def test_score_multiclass_liblinear(self):
+        """Test score for multiclass classification with liblinear kernel."""
+        X, y = load_dataset(
+            random_state=self._random_state,
+            n_classes=3,
+            n_features=5,
+            n_samples=500,
+        )
+        clf = Stree(
+            kernel="liblinear",
+            multiclass_strategy="ovr",
+            random_state=self._random_state,
+            C=10,
+        )
+        clf2 = Stree(
+            kernel="liblinear",
+            multiclass_strategy="ovr",
+            random_state=self._random_state,
+            normalize=True,
+        )
+        self.assertEqual(0.968, clf.fit(X, y).score(X, y))
+        self.assertEqual(0.97, clf2.fit(X, y).score(X, y))
+        X, y = load_wine(return_X_y=True)
+        self.assertEqual(1.0, clf.fit(X, y).score(X, y))
+        self.assertEqual(1.0, clf2.fit(X, y).score(X, y))
+
+    def test_score_multiclass_sigmoid(self):
+        """Test score for multiclass classification with sigmoid kernel."""
+        X, y = load_dataset(
+            random_state=self._random_state,
+            n_classes=3,
+            n_features=5,
+            n_samples=500,
+        )
+        clf = Stree(kernel="sigmoid", random_state=self._random_state, C=10)
+        clf2 = Stree(
+            kernel="sigmoid",
+            random_state=self._random_state,
+            normalize=True,
+            C=10,
+        )
+        self.assertEqual(0.796, clf.fit(X, y).score(X, y))
+        self.assertEqual(0.952, clf2.fit(X, y).score(X, y))
+        X, y = load_wine(return_X_y=True)
+        self.assertEqual(0.6910112359550562, clf.fit(X, y).score(X, y))
+        self.assertEqual(0.9662921348314607, clf2.fit(X, y).score(X, y))
+
+    def test_score_multiclass_linear(self):
+        """Test score for multiclass classification with linear kernel."""
+        warnings.filterwarnings("ignore", category=ConvergenceWarning)
+        warnings.filterwarnings("ignore", category=RuntimeWarning)
+        X, y = load_dataset(
+            random_state=self._random_state,
+            n_classes=3,
+            n_features=5,
+            n_samples=1500,
+        )
+        clf = Stree(
+            kernel="liblinear",
+            multiclass_strategy="ovr",
+            random_state=self._random_state,
+        )
+        self.assertEqual(0.9533333333333334, clf.fit(X, y).score(X, y))
+        # Check with context based standardization
+        clf2 = Stree(
+            kernel="liblinear",
+            multiclass_strategy="ovr",
+            random_state=self._random_state,
+            normalize=True,
+        )
+        self.assertEqual(0.9526666666666667, clf2.fit(X, y).score(X, y))
+        X, y = load_wine(return_X_y=True)
+        self.assertEqual(0.9831460674157303, clf.fit(X, y).score(X, y))
+        self.assertEqual(1.0, clf2.fit(X, y).score(X, y))
+
+    def test_zero_all_sample_weights(self):
+        """Test exception raises when all sample weights are zero."""
+        X, y = load_dataset(self._random_state)
+        with self.assertRaises(ValueError):
+            Stree().fit(X, y, np.zeros(len(y)))
+
+    def test_mask_samples_weighted_zero(self):
+        """Check that the weighted zero samples are masked."""
+        X = np.array(
+            [
+                [1, 1],
+                [1, 1],
+                [1, 1],
+                [2, 2],
+                [2, 2],
+                [2, 2],
+                [3, 3],
+                [3, 3],
+                [3, 3],
+            ]
+        )
+        y = np.array([1, 1, 1, 2, 2, 2, 5, 5, 5])
+        yw = np.array([1, 1, 1, 1, 1, 1, 5, 5, 5])
+        w = [1, 1, 1, 0, 0, 0, 1, 1, 1]
+        model1 = Stree().fit(X, y)
+        model2 = Stree().fit(X, y, w)
+        predict1 = model1.predict(X)
+        predict2 = model2.predict(X)
+        self.assertListEqual(y.tolist(), predict1.tolist())
+        self.assertListEqual(yw.tolist(), predict2.tolist())
+        self.assertEqual(model1.score(X, y), 1)
+        self.assertAlmostEqual(model2.score(X, y), 0.66666667)
+        self.assertEqual(model2.score(X, y, w), 1)
+
+    def test_depth(self):
+        """Check depth of the tree."""
+        X, y = load_dataset(
+            random_state=self._random_state,
+            n_classes=3,
+            n_features=5,
+            n_samples=1500,
+        )
+        clf = Stree(random_state=self._random_state)
+        clf.fit(X, y)
+        self.assertEqual(6, clf.depth_)
+        X, y = load_wine(return_X_y=True)
+        clf = Stree(random_state=self._random_state)
+        clf.fit(X, y)
+        self.assertEqual(4, clf.depth_)
+
+    def test_nodes_leaves(self):
+        """Check number of nodes and leaves."""
+        X, y = load_dataset(
+            random_state=self._random_state,
+            n_classes=3,
+            n_features=5,
+            n_samples=1500,
+        )
+        clf = Stree(random_state=self._random_state)
+        clf.fit(X, y)
+        nodes, leaves = clf.nodes_leaves()
+        self.assertEqual(31, nodes)
+        self.assertEqual(16, leaves)
+        X, y = load_wine(return_X_y=True)
+        clf = Stree(random_state=self._random_state)
+        clf.fit(X, y)
+        nodes, leaves = clf.nodes_leaves()
+        self.assertEqual(11, nodes)
+        self.assertEqual(6, leaves)
+
+    def test_nodes_leaves_artificial(self):
+        """Check leaves of artificial dataset."""
+        n1 = Snode(None, [1, 2, 3, 4], [1, 0, 1, 1], [], 0.0, "test1")
+        n2 = Snode(None, [1, 2, 3, 4], [1, 0, 1, 1], [], 0.0, "test2")
+        n3 = Snode(None, [1, 2, 3, 4], [1, 0, 1, 1], [], 0.0, "test3")
+        n4 = Snode(None, [1, 2, 3, 4], [1, 0, 1, 1], [], 0.0, "test4")
+        n5 = Snode(None, [1, 2, 3, 4], [1, 0, 1, 1], [], 0.0, "test5")
+        n6 = Snode(None, [1, 2, 3, 4], [1, 0, 1, 1], [], 0.0, "test6")
+        n1.set_up(n2)
+        n2.set_up(n3)
+        n2.set_down(n4)
+        n3.set_up(n5)
+        n4.set_down(n6)
+        clf = Stree(random_state=self._random_state)
+        clf.tree_ = n1
+        nodes, leaves = clf.nodes_leaves()
+        self.assertEqual(6, nodes)
+        self.assertEqual(2, leaves)
+
+    def test_bogus_multiclass_strategy(self):
+        """Check invalid multiclass strategy."""
+        clf = Stree(multiclass_strategy="other")
+        X, y = load_wine(return_X_y=True)
+        with self.assertRaises(ValueError):
+            clf.fit(X, y)
+
+    def test_multiclass_strategy(self):
+        """Check multiclass strategy."""
+        X, y = load_wine(return_X_y=True)
+        clf_o = Stree(multiclass_strategy="ovo")
+        clf_r = Stree(multiclass_strategy="ovr")
+        score_o = clf_o.fit(X, y).score(X, y)
+        score_r = clf_r.fit(X, y).score(X, y)
+        self.assertEqual(1.0, score_o)
+        self.assertEqual(0.9269662921348315, score_r)
+
+    def test_incompatible_hyperparameters(self):
+        """Check incompatible hyperparameters."""
+        X, y = load_wine(return_X_y=True)
+        clf = Stree(kernel="liblinear", multiclass_strategy="ovo")
+        with self.assertRaises(ValueError):
+            clf.fit(X, y)
+        clf = Stree(multiclass_strategy="ovo", split_criteria="max_samples")
+        with self.assertRaises(ValueError):
+            clf.fit(X, y)
+
+    def test_version(self):
+        """Check STree version."""
+        clf = Stree()
+        self.assertEqual(__version__, clf.version())
+
+    def test_graph(self):
+        """Check graphviz representation of the tree."""
+        X, y = load_wine(return_X_y=True)
+        clf = Stree(random_state=self._random_state)
+
+        expected_head = (
+            "digraph STree {\nlabel=<STree >\nfontsize=30\n"
+            "fontcolor=blue\nlabelloc=t\n"
+        )
+        expected_tail = (
+            ' [shape=box style=filled label="class=1 impurity=0.000 '
+            'counts=[0 1 0]"];\n}\n'
+        )
+        self.assertEqual(clf.graph(), expected_head + "}\n")
+        clf.fit(X, y)
+        computed = clf.graph()
+        computed_head = computed[: len(expected_head)]
+        num = -len(expected_tail)
+        computed_tail = computed[num:]
+        self.assertEqual(computed_head, expected_head)
+        self.assertEqual(computed_tail, expected_tail)
+
+    def test_graph_title(self):
+        X, y = load_wine(return_X_y=True)
+        clf = Stree(random_state=self._random_state)
+        expected_head = (
+            "digraph STree {\nlabel=<STree Sample title>\nfontsize=30\n"
+            "fontcolor=blue\nlabelloc=t\n"
+        )
+        expected_tail = (
+            ' [shape=box style=filled label="class=1 impurity=0.000 '
+            'counts=[0 1 0]"];\n}\n'
+        )
+        self.assertEqual(clf.graph("Sample title"), expected_head + "}\n")
+        clf.fit(X, y)
+        computed = clf.graph("Sample title")
+        computed_head = computed[: len(expected_head)]
+        num = -len(expected_tail)
+        computed_tail = computed[num:]
+        self.assertEqual(computed_head, expected_head)
+        self.assertEqual(computed_tail, expected_tail)

stree/tests/utils.py

@@ -1,11 +1,14 @@
 from sklearn.datasets import make_classification
+import numpy as np
 
 
-def load_dataset(random_state=0, n_classes=2, n_features=3):
+def load_dataset(
+    random_state=0, n_classes=2, n_features=3, n_samples=1500, n_informative=3
+):
     X, y = make_classification(
-        n_samples=1500,
+        n_samples=n_samples,
         n_features=n_features,
-        n_informative=3,
+        n_informative=n_informative,
         n_redundant=0,
         n_repeated=0,
         n_classes=n_classes,
@@ -15,3 +18,12 @@ def load_dataset(random_state=0, n_classes=2, n_features=3):
         random_state=random_state,
     )
     return X, y
+
+
+def load_disc_dataset(
+    random_state=0, n_classes=2, n_features=3, n_samples=1500
+):
+    np.random.seed(random_state)
+    X = np.random.randint(1, 17, size=(n_samples, n_features)).astype(float)
+    y = np.random.randint(low=0, high=n_classes, size=(n_samples), dtype=int)
+    return X, y