From 8129b484b82c6b9a28752b8e22991f2316510902 Mon Sep 17 00:00:00 2001 From: Leo-Simpson <52931376+Leo-Simpson@users.noreply.github.com> Date: Fri, 11 Dec 2020 02:45:54 +0100 Subject: [PATCH] update documented examples --- classo/solve_R1.py | 4 +- classo/solve_R2.py | 7 +- classo/solve_R3.py | 2 +- classo/solve_R4.py | 4 +- .../auto_examples/auto_examples_jupyter.zip | Bin 8941 -> 19944 bytes .../auto_examples/auto_examples_python.zip | Bin 4164 -> 9155 bytes .../sphx_glr_plot_advanced_example_001.png | Bin 0 -> 8965 bytes .../sphx_glr_plot_advanced_example_002.png | Bin 0 -> 29432 bytes .../sphx_glr_plot_advanced_example_003.png | Bin 0 -> 17285 bytes .../sphx_glr_plot_advanced_example_004.png | Bin 0 -> 11408 bytes .../sphx_glr_plot_advanced_example_005.png | Bin 0 -> 18826 bytes .../sphx_glr_plot_advanced_example_006.png | Bin 0 -> 11198 bytes .../sphx_glr_plot_combo_example_001.png | Bin 0 -> 18079 bytes .../sphx_glr_plot_combo_example_002.png | Bin 0 -> 10629 bytes 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examples/plot_advanced_example.py | 6 +- examples/plot_basic_example.py | 6 +- examples/plot_combo_example.py | 74 +++ examples/plot_pH_example.py | 77 +++ setup.py | 30 +- 68 files changed, 2213 insertions(+), 418 deletions(-) create mode 100644 docs/source/auto_examples/images/sphx_glr_plot_advanced_example_001.png create mode 100644 docs/source/auto_examples/images/sphx_glr_plot_advanced_example_002.png create mode 100644 docs/source/auto_examples/images/sphx_glr_plot_advanced_example_003.png create mode 100644 docs/source/auto_examples/images/sphx_glr_plot_advanced_example_004.png create mode 100644 docs/source/auto_examples/images/sphx_glr_plot_advanced_example_005.png create mode 100644 docs/source/auto_examples/images/sphx_glr_plot_advanced_example_006.png create mode 100644 docs/source/auto_examples/images/sphx_glr_plot_combo_example_001.png create mode 100644 docs/source/auto_examples/images/sphx_glr_plot_combo_example_002.png create mode 100644 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docs/source/auto_examples/images/thumb/sphx_glr_plot_COMBO_example_thumb.png create mode 100644 docs/source/auto_examples/images/thumb/sphx_glr_plot_pH_example_thumb.png create mode 100644 docs/source/auto_examples/plot_COMBO_example.ipynb create mode 100644 docs/source/auto_examples/plot_COMBO_example.py create mode 100644 docs/source/auto_examples/plot_COMBO_example.rst create mode 100644 docs/source/auto_examples/plot_advanced_example.py.md5 create mode 100644 docs/source/auto_examples/plot_combo_example.py.md5 create mode 100644 docs/source/auto_examples/plot_combo_example_codeobj.pickle create mode 100644 docs/source/auto_examples/plot_pH_example.ipynb create mode 100644 docs/source/auto_examples/plot_pH_example.py create mode 100644 docs/source/auto_examples/plot_pH_example.py.md5 create mode 100644 docs/source/auto_examples/plot_pH_example.rst create mode 100644 docs/source/auto_examples/plot_pH_example_codeobj.pickle create mode 100644 docs/source/getting-started-old.rst create mode 100755 examples/plot_combo_example.py create mode 100755 examples/plot_pH_example.py diff --git a/classo/solve_R1.py b/classo/solve_R1.py index c323e6d..87754b0 100644 --- a/classo/solve_R1.py +++ b/classo/solve_R1.py @@ -155,7 +155,7 @@ def Classo_R1(pb, lam): def pathlasso_R1(pb, path, n_active = False, return_sp_path = False): - n = pb.dim[0] + n, d, k = pb.dim BETA, tol = [], pb.tol if pb.type == "Path-Alg": beta, sp_path = solve_path(pb.matrix, path[-1], n_active, 0, "R1") @@ -181,7 +181,7 @@ def pathlasso_R1(pb, path, n_active = False, return_sp_path = False): if type(n_active) == int and n_active > 0: n_act = n_active else: - n_act = n + n_act = d for lam in path: X = Classo_R1(pb, lam) beta, init = X[0], X[1] diff --git a/classo/solve_R2.py b/classo/solve_R2.py index 3920335..1112d0c 100644 --- a/classo/solve_R2.py +++ b/classo/solve_R2.py @@ -70,6 +70,8 @@ def Classo_R2(pb, lam, compute = True): tol = pb.tol * LA.norm(y) / LA.norm(A, "fro") # tolerance rescaled + + """ # cvx # call to the cvx function of minimization if pb_type == "cvx": @@ -85,6 +87,7 @@ def Classo_R2(pb, lam, compute = True): if regpath: return (x.value, True) return x.value + """ if compute: pb.compute_param() @@ -176,7 +179,7 @@ def Classo_R2(pb, lam, compute = True): def pathlasso_R2(pb, path, n_active = False): - n = pb.dim[0] + n, d, k = pb.dim BETA, tol = [], pb.tol if pb.type == "Path-Alg": (A, C, y) = pb.matrix @@ -194,7 +197,7 @@ def pathlasso_R2(pb, path, n_active = False): if type(n_active) == int and n_active > 0: n_act = n_active else: - n_act = n + n_act = d for lam in path: X = Classo_R2(pb, lam, compute = False) BETA.append(X[0]) diff --git a/classo/solve_R3.py b/classo/solve_R3.py index 00146e5..027fc8a 100644 --- a/classo/solve_R3.py +++ b/classo/solve_R3.py @@ -152,7 +152,7 @@ def pathlasso_R3(pb, path, n_active = False): if type(n_active) == int and n_active > 0: n_act = n_active else: - n_act = n + n_act = d for lam in path: X = Classo_R3(pb, lam) diff --git a/classo/solve_R4.py b/classo/solve_R4.py index 3cdfa9d..12d9c54 100644 --- a/classo/solve_R4.py +++ b/classo/solve_R4.py @@ -131,7 +131,7 @@ def Classo_R4(pb, lam): def pathlasso_R4(pb, path, n_active = False): - n = pb.dim[0] + n, d, k = pb.dim BETA, SIGMA, tol = [], [], pb.tol pb.type = "DR" save_init = pb.init @@ -140,7 +140,7 @@ def pathlasso_R4(pb, path, n_active = False): if type(n_active) == int and n_active > 0: n_act = n_active else: - n_act = n + n_act = d for lam in path: X = Classo_R4(pb, lam) diff --git a/docs/source/auto_examples/auto_examples_jupyter.zip b/docs/source/auto_examples/auto_examples_jupyter.zip index 1a4750a0a65a21e6a6211b8492e484dceafbba99..98b4f49a97ba6f11b2c78bc8e2d95852caf39104 100644 GIT binary patch literal 19944 zcmeHP-EJGl6?U4m7eOzIA_W2zXa_V>ktn$&B|EW=DyYoBaS|($Z6%c<3iNPyNDeeR zv)I|CL>IZ}b@~du>vbO>cYTIFLN5CbMZYt@FH?Gmw_?KTi{QXxCzxv0ou3e+=H}Nb|Ch7ILm3~j0^Dt7vlhH)?|N1&(6<;W2 zD|gs2eqoFr(U*JNOD2)PtBP*|QK=WN#JTX(L>k@mO{x<#(5X_>*P%#wz!Q$=1vR2) 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a/docs/source/auto_examples/index.rst +++ b/docs/source/auto_examples/index.rst @@ -14,7 +14,7 @@ Bellow is a gallery of examples. .. raw:: html -

+
.. only:: html @@ -53,6 +53,48 @@ Bellow is a gallery of examples. :hidden: /auto_examples/plot_advanced_example + +.. raw:: html + +
+ +.. only:: html + + .. figure:: /auto_examples/images/thumb/sphx_glr_plot_pH_example_thumb.png + :alt: pH prediction using the Central Park soil dataset + + :ref:`sphx_glr_auto_examples_plot_pH_example.py` + +.. raw:: html + +
+ + +.. toctree:: + :hidden: + + /auto_examples/plot_pH_example + +.. raw:: html + +
+ +.. only:: html + + .. figure:: /auto_examples/images/thumb/sphx_glr_plot_combo_example_thumb.png + :alt: BMI prediction using the COMBO dataset + + :ref:`sphx_glr_auto_examples_plot_combo_example.py` + +.. raw:: html + +
+ + +.. toctree:: + :hidden: + + /auto_examples/plot_combo_example .. raw:: html
diff --git a/docs/source/auto_examples/plot_COMBO_example.ipynb b/docs/source/auto_examples/plot_COMBO_example.ipynb new file mode 100644 index 0000000..7d8f39a --- /dev/null +++ b/docs/source/auto_examples/plot_COMBO_example.ipynb @@ -0,0 +1,198 @@ +{ + "cells": [ + { + "cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": false + }, + "outputs": [], + "source": [ + "%matplotlib inline" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "\n# BMI prediction using the COMBO dataset \n\nWe first consider the `COMBO data set `_\nand show how to predict Body Mass Index (BMI) from microbial genus abundances and two non-compositional covariates using \"filtered_data\".\n" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": false + }, + "outputs": [], + "source": [ + "from classo import csv_to_np, classo_problem, clr\nimport numpy as np" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Load microbiome and covariate data X\n\n" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": false + }, + "outputs": [], + "source": [ + "X0 = csv_to_np('COMBO_data/complete_data/GeneraCounts.csv', begin = 0).astype(float)\nX_C = csv_to_np('COMBO_data/CaloriData.csv', begin = 0).astype(float)\nX_F = csv_to_np('COMBO_data/FatData.csv', begin = 0).astype(float)" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Load BMI measurements y\n\n" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": false + }, + "outputs": [], + "source": [ + "y = csv_to_np('COMBO_data/BMI.csv', begin = 0).astype(float)[:, 0]\nlabels = csv_to_np('COMBO_data/complete_data/GeneraPhylo.csv').astype(str)[:, -1]" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Normalize/transform data\n\n" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": false + }, + "outputs": [], + "source": [ + "y = y - np.mean(y) #BMI data (n = 96)\nX_C = X_C - np.mean(X_C, axis = 0) #Covariate data (Calorie)\nX_F = X_F - np.mean(X_F, axis = 0) #Covariate data (Fat)\nX0 = clr(X0, 1 / 2).T" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Set up design matrix and zero-sum constraints for 45 genera\n\n" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": false + }, + "outputs": [], + "source": [ + "X = np.concatenate((X0, X_C, X_F, np.ones((len(X0), 1))), axis = 1) # Joint microbiome and covariate data and offset\nlabel = np.concatenate([labels, np.array(['Calorie', 'Fat', 'Bias'])])\nC = np.ones((1, len(X[0])))\nC[0, -1], C[0, -2], C[0, -3] = 0., 0., 0." + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Set up c-lassso problem\n\n" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": false + }, + "outputs": [], + "source": [ + "problem = classo_problem(X, y, C)" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "Use stability selection with theoretical lambda [Combettes & M\u00fcller, 2020b]\n\n" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": false + }, + "outputs": [], + "source": [ + "problem.model_selection.StabSelparameters.method = 'lam'\nproblem.model_selection.StabSelparameters.threshold_label = 0.5" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Use formulation R3\n\n" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": false + }, + "outputs": [], + "source": [ + "problem.formulation.concomitant = True\n\nproblem.solve()\nprint(problem)\nprint(problem.solution)" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Use formulation R4\n\n" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": false + }, + "outputs": [], + "source": [ + "problem.formulation.huber = True\nproblem.formulation.concomitant = True\n\nproblem.solve()\nprint(problem)\nprint(problem.solution)" + ] + } + ], + "metadata": { + "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": "3.9.0" + } + }, + "nbformat": 4, + "nbformat_minor": 0 +} \ No newline at end of file diff --git a/docs/source/auto_examples/plot_COMBO_example.py b/docs/source/auto_examples/plot_COMBO_example.py new file mode 100644 index 0000000..94c4235 --- /dev/null +++ b/docs/source/auto_examples/plot_COMBO_example.py @@ -0,0 +1,74 @@ +r""" +BMI prediction using the COMBO dataset +========================================== + +We first consider the `COMBO data set `_ +and show how to predict Body Mass Index (BMI) from microbial genus abundances and two non-compositional covariates using "filtered_data". +""" + +from classo import csv_to_np, classo_problem, clr +import numpy as np + +# %% +# Load microbiome and covariate data X +# ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + +X0 = csv_to_np('COMBO_data/complete_data/GeneraCounts.csv', begin = 0).astype(float) +X_C = csv_to_np('COMBO_data/CaloriData.csv', begin = 0).astype(float) +X_F = csv_to_np('COMBO_data/FatData.csv', begin = 0).astype(float) + +# %% +# Load BMI measurements y +# ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ +y = csv_to_np('COMBO_data/BMI.csv', begin = 0).astype(float)[:, 0] +labels = csv_to_np('COMBO_data/complete_data/GeneraPhylo.csv').astype(str)[:, -1] + + +# %% +# Normalize/transform data +# ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ +y = y - np.mean(y) #BMI data (n = 96) +X_C = X_C - np.mean(X_C, axis = 0) #Covariate data (Calorie) +X_F = X_F - np.mean(X_F, axis = 0) #Covariate data (Fat) +X0 = clr(X0, 1 / 2).T + +# %% +# Set up design matrix and zero-sum constraints for 45 genera +# ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ +X = np.concatenate((X0, X_C, X_F, np.ones((len(X0), 1))), axis = 1) # Joint microbiome and covariate data and offset +label = np.concatenate([labels, np.array(['Calorie', 'Fat', 'Bias'])]) +C = np.ones((1, len(X[0]))) +C[0, -1], C[0, -2], C[0, -3] = 0., 0., 0. + + + + +# %% +# Set up c-lassso problem +# ^^^^^^^^^^^^^^^^^^^^^^^^^^^ + +problem = classo_problem(X, y, C) + +# %% +# Use stability selection with theoretical lambda [Combettes & Müller, 2020b] +problem.model_selection.StabSelparameters.method = 'lam' +problem.model_selection.StabSelparameters.threshold_label = 0.5 + +# %% +# Use formulation R3 +# ^^^^^^^^^^^^^^^^^^^^^^^^^^^ +problem.formulation.concomitant = True + +problem.solve() +print(problem) +print(problem.solution) + +# %% +# Use formulation R4 +# ^^^^^^^^^^^^^^^^^^^^^^^^^^^ +problem.formulation.huber = True +problem.formulation.concomitant = True + +problem.solve() +print(problem) +print(problem.solution) diff --git a/docs/source/auto_examples/plot_COMBO_example.rst b/docs/source/auto_examples/plot_COMBO_example.rst new file mode 100644 index 0000000..65fa95e --- /dev/null +++ b/docs/source/auto_examples/plot_COMBO_example.rst @@ -0,0 +1,294 @@ +.. only:: html + + .. note:: + :class: sphx-glr-download-link-note + + Click :ref:`here ` to download the full example code + .. rst-class:: sphx-glr-example-title + + .. _sphx_glr_auto_examples_plot_combo_example.py: + + +BMI prediction using the COMBO dataset +========================================== + +We first consider the `COMBO data set `_ +and show how to predict Body Mass Index (BMI) from microbial genus abundances and two non-compositional covariates using "filtered_data". + + +.. code-block:: default + + + from classo import csv_to_np, classo_problem, clr + import numpy as np + + + + + + + + +Load microbiome and covariate data X +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + + +.. code-block:: default + + + X0 = csv_to_np('COMBO_data/complete_data/GeneraCounts.csv', begin = 0).astype(float) + X_C = csv_to_np('COMBO_data/CaloriData.csv', begin = 0).astype(float) + X_F = csv_to_np('COMBO_data/FatData.csv', begin = 0).astype(float) + + + + + + + + +Load BMI measurements y +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + + +.. code-block:: default + + y = csv_to_np('COMBO_data/BMI.csv', begin = 0).astype(float)[:, 0] + labels = csv_to_np('COMBO_data/complete_data/GeneraPhylo.csv').astype(str)[:, -1] + + + + + + + + + +Normalize/transform data +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + + +.. code-block:: default + + y = y - np.mean(y) #BMI data (n = 96) + X_C = X_C - np.mean(X_C, axis = 0) #Covariate data (Calorie) + X_F = X_F - np.mean(X_F, axis = 0) #Covariate data (Fat) + X0 = clr(X0, 1 / 2).T + + + + + + + + +Set up design matrix and zero-sum constraints for 45 genera +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + + +.. code-block:: default + + X = np.concatenate((X0, X_C, X_F, np.ones((len(X0), 1))), axis = 1) # Joint microbiome and covariate data and offset + label = np.concatenate([labels, np.array(['Calorie', 'Fat', 'Bias'])]) + C = np.ones((1, len(X[0]))) + C[0, -1], C[0, -2], C[0, -3] = 0., 0., 0. + + + + + + + + + + + +Set up c-lassso problem +^^^^^^^^^^^^^^^^^^^^^^^^^^^ + + +.. code-block:: default + + + problem = classo_problem(X, y, C) + + + + + + + + +Use stability selection with theoretical lambda [Combettes & Müller, 2020b] + + +.. code-block:: default + + problem.model_selection.StabSelparameters.method = 'lam' + problem.model_selection.StabSelparameters.threshold_label = 0.5 + + + + + + + + +Use formulation R3 +^^^^^^^^^^^^^^^^^^^^^^^^^^^ + + +.. code-block:: default + + problem.formulation.concomitant = True + + problem.solve() + print(problem) + print(problem.solution) + + + + +.. rst-class:: sphx-glr-horizontal + + + * + + .. image:: /auto_examples/images/sphx_glr_plot_combo_example_001.png + :alt: Stability selection profile of type lam using R3 + :class: sphx-glr-multi-img + + * + + .. image:: /auto_examples/images/sphx_glr_plot_combo_example_002.png + :alt: Refitted coefficients after stability selection + :class: sphx-glr-multi-img + + +.. rst-class:: sphx-glr-script-out + + Out: + + .. code-block:: none + + + + FORMULATION: R3 + + MODEL SELECTION COMPUTED: + Stability selection + + STABILITY SELECTION PARAMETERS: + numerical_method : Path-Alg + method : lam + B = 50 + q = 10 + percent_nS = 0.5 + threshold = 0.7 + lam = theoretical + theoretical_lam = 0.2824 + + + STABILITY SELECTION : + Selected variables : 27 56 + Running time : 0.656s + + + + + +Use formulation R4 +^^^^^^^^^^^^^^^^^^^^^^^^^^^ + + +.. code-block:: default + + problem.formulation.huber = True + problem.formulation.concomitant = True + + problem.solve() + print(problem) + print(problem.solution) + + + +.. rst-class:: sphx-glr-horizontal + + + * + + .. image:: /auto_examples/images/sphx_glr_plot_combo_example_003.png + :alt: Stability selection profile of type lam using R4 + :class: sphx-glr-multi-img + + * + + .. image:: /auto_examples/images/sphx_glr_plot_combo_example_004.png + :alt: Refitted coefficients after stability selection + :class: sphx-glr-multi-img + + +.. rst-class:: sphx-glr-script-out + + Out: + + .. code-block:: none + + + + FORMULATION: R4 + + MODEL SELECTION COMPUTED: + Stability selection + + STABILITY SELECTION PARAMETERS: + numerical_method : Path-Alg + method : lam + B = 50 + q = 10 + percent_nS = 0.5 + threshold = 0.7 + lam = theoretical + theoretical_lam = 0.2824 + + + STABILITY SELECTION : + Selected variables : 27 56 + Running time : 0.909s + + + + + + +.. rst-class:: sphx-glr-timing + + **Total running time of the script:** ( 0 minutes 2.321 seconds) + + +.. _sphx_glr_download_auto_examples_plot_combo_example.py: + + +.. only :: html + + .. container:: sphx-glr-footer + :class: sphx-glr-footer-example + + + + .. container:: sphx-glr-download sphx-glr-download-python + + :download:`Download Python source code: plot_combo_example.py ` + + + + .. container:: sphx-glr-download sphx-glr-download-jupyter + + :download:`Download Jupyter notebook: plot_combo_example.ipynb ` + + +.. only:: html + + .. rst-class:: sphx-glr-signature + + `Gallery generated by Sphinx-Gallery `_ diff --git a/docs/source/auto_examples/plot_advanced_example.ipynb b/docs/source/auto_examples/plot_advanced_example.ipynb index 8320eb0..93a6273 100644 --- a/docs/source/auto_examples/plot_advanced_example.ipynb +++ b/docs/source/auto_examples/plot_advanced_example.ipynb @@ -15,7 +15,7 @@ "cell_type": "markdown", "metadata": {}, "source": [ - "\n# Advanced example\n\nLet's present how one can specify different aspects of the problem \nformulation and model selection strategy on classo, using synthetic data\n" + "\n# Advanced example\n\nLet's present how one can specify different aspects of the problem \nformulation and model selection strategy on classo, using synthetic data.\n" ] }, { @@ -47,6 +47,24 @@ "m, d, d_nonzero, k, sigma = 100, 200, 5, 1, 0.5\n(X, C, y), sol = random_data(m, d, d_nonzero, k, sigma, zerosum=True, seed=1)" ] }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "Remark : one can see the parameters that should be selected :\n\n" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": false + }, + "outputs": [], + "source": [ + "print(np.nonzero(sol))" + ] + }, { "cell_type": "markdown", "metadata": {}, diff --git a/docs/source/auto_examples/plot_advanced_example.py b/docs/source/auto_examples/plot_advanced_example.py index 2c5130b..2d3524f 100644 --- a/docs/source/auto_examples/plot_advanced_example.py +++ b/docs/source/auto_examples/plot_advanced_example.py @@ -3,7 +3,7 @@ =============== Let's present how one can specify different aspects of the problem -formulation and model selection strategy on classo, using synthetic data +formulation and model selection strategy on classo, using synthetic data. """ from classo import classo_problem, random_data @@ -21,6 +21,10 @@ m, d, d_nonzero, k, sigma = 100, 200, 5, 1, 0.5 (X, C, y), sol = random_data(m, d, d_nonzero, k, sigma, zerosum=True, seed=1) +# %% +# Remark : one can see the parameters that should be selected : +print(np.nonzero(sol)) + # %% # Define the classo instance # ^^^^^^^^^^^^^^^^^^^^^^^^^^^ diff --git a/docs/source/auto_examples/plot_advanced_example.py.md5 b/docs/source/auto_examples/plot_advanced_example.py.md5 new file mode 100644 index 0000000..35b8166 --- /dev/null +++ b/docs/source/auto_examples/plot_advanced_example.py.md5 @@ -0,0 +1 @@ +008286697c303b46945e5fb5eb54ef5b \ No newline at end of file diff --git a/docs/source/auto_examples/plot_advanced_example.rst b/docs/source/auto_examples/plot_advanced_example.rst index ee7ff43..6a141c1 100644 --- a/docs/source/auto_examples/plot_advanced_example.rst +++ b/docs/source/auto_examples/plot_advanced_example.rst @@ -13,7 +13,7 @@ Advanced example =============== Let's present how one can specify different aspects of the problem -formulation and model selection strategy on classo, using synthetic data +formulation and model selection strategy on classo, using synthetic data. .. code-block:: default @@ -51,6 +51,28 @@ and the regression vector ß is then generated to satisfy the given constraints. +Remark : one can see the parameters that should be selected : + + +.. code-block:: default + + print(np.nonzero(sol)) + + + + + +.. rst-class:: sphx-glr-script-out + + Out: + + .. code-block:: none + + (array([ 7, 63, 148, 164, 168]),) + + + + Define the classo instance ^^^^^^^^^^^^^^^^^^^^^^^^^^^ Next we can define a default c-lasso problem instance with the generated data: @@ -108,19 +130,54 @@ You can look at the generated problem instance by typing: -.. rst-class:: sphx-glr-script-out -.. code-block:: pytb +.. rst-class:: sphx-glr-script-out + + Out: + + .. code-block:: none + + + + FORMULATION: R2 + + MODEL SELECTION COMPUTED: + Lambda fixed + Path + Cross Validation + Stability selection + + LAMBDA FIXED PARAMETERS: + numerical_method = not specified + rescaled lam : True + threshold : average of the absolute value of beta + lam = 0.1 + + PATH PARAMETERS: + numerical_method : not specified + lamin = 0.001 + Nlam = 80 + with log-scale + + CROSS VALIDATION PARAMETERS: + numerical_method : not specified + one-SE method : True + Nsubset = 5 + lamin = 0.001 + Nlam = 80 + with log-scale + + STABILITY SELECTION PARAMETERS: + numerical_method : not specified + method : max + B = 50 + q = 10 + percent_nS = 0.5 + threshold = 0.7 + lamin = 0.01 + Nlam = 50 - Traceback (most recent call last): - File "/Users/lsimpson/Desktop/GitHub/c-lasso/examples/plot_advanced_example.py", line 54, in - print(problem) - File "/Users/lsimpson/anaconda3/envs/envthesis/lib/python3.9/site-packages/classo/solver.py", line 178, in __repr__ - + self.model_selection.LAMfixedparameters.__repr__() - File "/Users/lsimpson/anaconda3/envs/envthesis/lib/python3.9/site-packages/classo/solver.py", line 653, in __repr__ - string += "\n threshold = " + str(round(self.threshold, 3)) - TypeError: type NoneType doesn't define __round__ method @@ -138,6 +195,12 @@ at the theoretical λ problem.solve() + + + + + + Visualisation ^^^^^^^^^^^^^^^ After completion, the results of the optimization and model selection routines @@ -149,9 +212,77 @@ can be visualized using print(problem.solution) + +.. rst-class:: sphx-glr-horizontal + + + * + + .. image:: /auto_examples/images/sphx_glr_plot_advanced_example_001.png + :alt: Coefficients at $\lambda$ = 0.1 + :class: sphx-glr-multi-img + + * + + .. image:: /auto_examples/images/sphx_glr_plot_advanced_example_002.png + :alt: Coefficients across $\lambda$-path using R2 + :class: sphx-glr-multi-img + + * + + .. image:: /auto_examples/images/sphx_glr_plot_advanced_example_003.png + :alt: + :class: sphx-glr-multi-img + + * + + .. image:: /auto_examples/images/sphx_glr_plot_advanced_example_004.png + :alt: Refitted coefficients after CV model selection + :class: sphx-glr-multi-img + + * + + .. image:: /auto_examples/images/sphx_glr_plot_advanced_example_005.png + :alt: Stability selection profile of type max using R2 + :class: sphx-glr-multi-img + + * + + .. image:: /auto_examples/images/sphx_glr_plot_advanced_example_006.png + :alt: Refitted coefficients after stability selection + :class: sphx-glr-multi-img + + +.. rst-class:: sphx-glr-script-out + + Out: + + .. code-block:: none + + + LAMBDA FIXED : + Selected variables : 7 63 148 164 168 + Running time : 0.069s + + PATH COMPUTATION : + Running time : 0.472s + + CROSS VALIDATION : + Selected variables : 7 10 63 101 148 164 168 + Running time : 1.747s + + STABILITY SELECTION : + Selected variables : 7 63 148 164 168 + Running time : 4.463s + + + + + + .. rst-class:: sphx-glr-timing - 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The sample locations are shown in the Figure on the right.\nThe task is to predict pH concentration in the soil from microbial abundance data. This task was also considered in `Tree-Aggregated Predictive Modeling of Microbiome Data `_.\n" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": false + }, + "outputs": [], + "source": [ + "from classo import classo_problem\nimport numpy as np\nfrom copy import deepcopy as dc\nimport scipy.io as sio" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Load data\n\n" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": false + }, + "outputs": [], + "source": [ + "pH = sio.loadmat(\"pH_data/pHData.mat\")\ntax = sio.loadmat(\"pH_data/taxTablepHData.mat\")[\"None\"][0]\n\nX, Y_uncent = pH[\"X\"], pH[\"Y\"].T[0]\ny = Y_uncent - np.mean(Y_uncent) # Center Y\nprint(X.shape)" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Set up c-lassso problem\n\n" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": false + }, + "outputs": [], + "source": [ + "problem = classo_problem(X, y) \n\nproblem.model_selection.StabSelparameters.method = 'lam'\nproblem.model_selection.PATH = True\nproblem.model_selection.LAMfixed = True\nproblem.model_selection.PATHparameters.n_active = X.shape[1] + 1" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Solve for R1\n\n" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": false + }, + "outputs": [], + "source": [ + "problem.formulation.concomitant = False\nproblem.solve()\nprint(problem, problem.solution)" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Solve for R2\n\n" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": false + }, + "outputs": [], + "source": [ + "problem.formulation.huber = True\nproblem.solve()\nprint(problem, problem.solution)" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Solve for R3\n\n" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": false + }, + "outputs": [], + "source": [ + "problem.formulation.concomitant = True\nproblem.formulation.huber = False\nproblem.solve()\nprint(problem, problem.solution)" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Solve for R4\nRemark : we reset the numerical method here, \nbecause it has been automatically set to '\u00a8Path-Alg'\nfor previous computations, but for R4, \"DR\" is much better\nas explained in the documentation, R4 \"Path-Alg\" is a method for fixed lambda\nbut is (paradoxically) bad to compute the lambda-path \nbecause of the absence of possible warm-start in this method\n\n" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": false + }, + "outputs": [], + "source": [ + "problem.model_selection.PATHparameters.numerical_method = \"DR\"\nproblem.formulation.huber = True\nproblem.solve()\nprint(problem, problem.solution)" + ] + } + ], + "metadata": { + "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": "3.9.0" + } + }, + "nbformat": 4, + "nbformat_minor": 0 +} \ No newline at end of file diff --git a/docs/source/auto_examples/plot_pH_example.py b/docs/source/auto_examples/plot_pH_example.py new file mode 100644 index 0000000..b45d239 --- /dev/null +++ b/docs/source/auto_examples/plot_pH_example.py @@ -0,0 +1,77 @@ +r""" +pH prediction using the Central Park soil dataset +=================================================== + +The next microbiome example considers the +`Central Park Soil dataset `_ from +`Ramirez et al. `_. The sample locations are shown in the Figure on the right. +The task is to predict pH concentration in the soil from microbial abundance data. This task was also considered in `Tree-Aggregated Predictive Modeling of Microbiome Data `_. +""" + +from classo import classo_problem +import numpy as np +from copy import deepcopy as dc +import scipy.io as sio + +# %% +# Load data +# ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + +pH = sio.loadmat("pH_data/pHData.mat") +tax = sio.loadmat("pH_data/taxTablepHData.mat")["None"][0] + +X, Y_uncent = pH["X"], pH["Y"].T[0] +y = Y_uncent - np.mean(Y_uncent) # Center Y +print(X.shape) + +# %% +# Set up c-lassso problem +# ^^^^^^^^^^^^^^^^^^^^^^^^^^^ + +problem = classo_problem(X, y) + +problem.model_selection.StabSelparameters.method = 'lam' +problem.model_selection.PATH = True +problem.model_selection.LAMfixed = True +problem.model_selection.PATHparameters.n_active = X.shape[1] + 1 + +# %% +# Solve for R1 +# ^^^^^^^^^^^^^^^^^^^^^^^^^^^ +problem.formulation.concomitant = False +problem.solve() +print(problem, problem.solution) + +# %% +# Solve for R2 +# ^^^^^^^^^^^^^^^^^^^^^^^^^^^ +problem.formulation.huber = True +problem.solve() +print(problem, problem.solution) + + +# %% +# Solve for R3 +# ^^^^^^^^^^^^^^^^^^^^^^^^^^^ +problem.formulation.concomitant = True +problem.formulation.huber = False +problem.solve() +print(problem, problem.solution) + + +# %% +# Solve for R4 +# ^^^^^^^^^^^^^^^^^^^^^^^^^^^ +# Remark : we reset the numerical method here, +# because it has been automatically set to '¨Path-Alg' +# for previous computations, but for R4, "DR" is much better +# as explained in the documentation, R4 "Path-Alg" is a method for fixed lambda +# but is (paradoxically) bad to compute the lambda-path +# because of the absence of possible warm-start in this method + +problem.model_selection.PATHparameters.numerical_method = "DR" +problem.formulation.huber = True +problem.solve() +print(problem, problem.solution) + + diff --git a/docs/source/auto_examples/plot_pH_example.py.md5 b/docs/source/auto_examples/plot_pH_example.py.md5 new file mode 100644 index 0000000..994b556 --- /dev/null +++ b/docs/source/auto_examples/plot_pH_example.py.md5 @@ -0,0 +1 @@ +a85b8af20a794f5bbc0c85253025c587 \ No newline at end of file diff --git a/docs/source/auto_examples/plot_pH_example.rst b/docs/source/auto_examples/plot_pH_example.rst new file mode 100644 index 0000000..668ca04 --- /dev/null +++ b/docs/source/auto_examples/plot_pH_example.rst @@ -0,0 +1,523 @@ +.. only:: html + + .. note:: + :class: sphx-glr-download-link-note + + Click :ref:`here ` to download the full example code + .. rst-class:: sphx-glr-example-title + + .. _sphx_glr_auto_examples_plot_pH_example.py: + + +pH prediction using the Central Park soil dataset +=================================================== + +The next microbiome example considers the +`Central Park Soil dataset `_ from +`Ramirez et al. `_. The sample locations are shown in the Figure on the right. +The task is to predict pH concentration in the soil from microbial abundance data. This task was also considered in `Tree-Aggregated Predictive Modeling of Microbiome Data `_. + + +.. code-block:: default + + + from classo import classo_problem + import numpy as np + from copy import deepcopy as dc + import scipy.io as sio + + + + + + + + +Load data +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + + +.. code-block:: default + + + pH = sio.loadmat("pH_data/pHData.mat") + tax = sio.loadmat("pH_data/taxTablepHData.mat")["None"][0] + + X, Y_uncent = pH["X"], pH["Y"].T[0] + y = Y_uncent - np.mean(Y_uncent) # Center Y + print(X.shape) + + + + + +.. rst-class:: sphx-glr-script-out + + Out: + + .. code-block:: none + + (88, 116) + + + + +Set up c-lassso problem +^^^^^^^^^^^^^^^^^^^^^^^^^^^ + + +.. code-block:: default + + + problem = classo_problem(X, y) + + problem.model_selection.StabSelparameters.method = 'lam' + problem.model_selection.PATH = True + problem.model_selection.LAMfixed = True + problem.model_selection.PATHparameters.n_active = X.shape[1] + 1 + + + + + + + + +Solve for R1 +^^^^^^^^^^^^^^^^^^^^^^^^^^^ + + +.. code-block:: default + + problem.formulation.concomitant = False + problem.solve() + print(problem, problem.solution) + + + + +.. rst-class:: sphx-glr-horizontal + + + * + + .. image:: /auto_examples/images/sphx_glr_plot_pH_example_001.png + :alt: Coefficients at $\lambda$ = 0.218 + :class: sphx-glr-multi-img + + * + + .. image:: /auto_examples/images/sphx_glr_plot_pH_example_002.png + :alt: Coefficients across $\lambda$-path using R1 + :class: sphx-glr-multi-img + + * + + .. image:: /auto_examples/images/sphx_glr_plot_pH_example_003.png + :alt: Stability selection profile of type lam using R1 + :class: sphx-glr-multi-img + + * + + .. image:: /auto_examples/images/sphx_glr_plot_pH_example_004.png + :alt: Refitted coefficients after stability selection + :class: sphx-glr-multi-img + + +.. rst-class:: sphx-glr-script-out + + Out: + + .. code-block:: none + + + + FORMULATION: R1 + + MODEL SELECTION COMPUTED: + Lambda fixed + Path + Stability selection + + LAMBDA FIXED PARAMETERS: + numerical_method = Path-Alg + rescaled lam : True + threshold = 0.008 + lam : theoretical + theoretical_lam = 0.2182 + + PATH PARAMETERS: + numerical_method : Path-Alg + lamin = 0.001 + Nlam = 80 + + maximum active variables = 117 + + STABILITY SELECTION PARAMETERS: + numerical_method : Path-Alg + method : lam + B = 50 + q = 10 + percent_nS = 0.5 + threshold = 0.7 + lam = theoretical + theoretical_lam = 0.3085 + + LAMBDA FIXED : + Selected variables : 18 19 39 43 62 85 93 94 102 107 + Running time : 0.013s + + PATH COMPUTATION : + Running time : 0.204s + + STABILITY SELECTION : + Selected variables : 19 62 94 + Running time : 0.429s + + + + + +Solve for R2 +^^^^^^^^^^^^^^^^^^^^^^^^^^^ + + +.. code-block:: default + + problem.formulation.huber = True + problem.solve() + print(problem, problem.solution) + + + + + +.. rst-class:: sphx-glr-horizontal + + + * + + .. image:: /auto_examples/images/sphx_glr_plot_pH_example_005.png + :alt: Coefficients at $\lambda$ = 0.218 + :class: sphx-glr-multi-img + + * + + .. image:: /auto_examples/images/sphx_glr_plot_pH_example_006.png + :alt: Coefficients across $\lambda$-path using R2 + :class: sphx-glr-multi-img + + * + + .. image:: /auto_examples/images/sphx_glr_plot_pH_example_007.png + :alt: Stability selection profile of type lam using R2 + :class: sphx-glr-multi-img + + * + + .. image:: /auto_examples/images/sphx_glr_plot_pH_example_008.png + :alt: Refitted coefficients after stability selection + :class: sphx-glr-multi-img + + +.. rst-class:: sphx-glr-script-out + + Out: + + .. code-block:: none + + + + FORMULATION: R2 + + MODEL SELECTION COMPUTED: + Lambda fixed + Path + Stability selection + + LAMBDA FIXED PARAMETERS: + numerical_method = Path-Alg + rescaled lam : True + threshold = 0.008 + lam : theoretical + theoretical_lam = 0.2182 + + PATH PARAMETERS: + numerical_method : Path-Alg + lamin = 0.001 + Nlam = 80 + + maximum active variables = 117 + + STABILITY SELECTION PARAMETERS: + numerical_method : Path-Alg + method : lam + B = 50 + q = 10 + percent_nS = 0.5 + threshold = 0.7 + lam = theoretical + theoretical_lam = 0.3085 + + LAMBDA FIXED : + Selected variables : 18 19 39 43 57 62 85 93 94 107 + Running time : 0.066s + + PATH COMPUTATION : + Running time : 0.358s + + STABILITY SELECTION : + Selected variables : 19 62 94 + Running time : 1.37s + + + + + +Solve for R3 +^^^^^^^^^^^^^^^^^^^^^^^^^^^ + + +.. code-block:: default + + problem.formulation.concomitant = True + problem.formulation.huber = False + problem.solve() + print(problem, problem.solution) + + + + + +.. rst-class:: sphx-glr-horizontal + + + * + + .. image:: /auto_examples/images/sphx_glr_plot_pH_example_009.png + :alt: Coefficients at $\lambda$ = 0.218 + :class: sphx-glr-multi-img + + * + + .. image:: /auto_examples/images/sphx_glr_plot_pH_example_010.png + :alt: Coefficients across $\lambda$-path using R3 + :class: sphx-glr-multi-img + + * + + .. image:: /auto_examples/images/sphx_glr_plot_pH_example_011.png + :alt: Scale estimate across $\lambda$-path using R3 + :class: sphx-glr-multi-img + + * + + .. image:: /auto_examples/images/sphx_glr_plot_pH_example_012.png + :alt: Stability selection profile of type lam using R3 + :class: sphx-glr-multi-img + + * + + .. image:: /auto_examples/images/sphx_glr_plot_pH_example_013.png + :alt: Refitted coefficients after stability selection + :class: sphx-glr-multi-img + + +.. rst-class:: sphx-glr-script-out + + Out: + + .. code-block:: none + + + + FORMULATION: R3 + + MODEL SELECTION COMPUTED: + Lambda fixed + Path + Stability selection + + LAMBDA FIXED PARAMETERS: + numerical_method = Path-Alg + rescaled lam : True + threshold = 0.008 + lam : theoretical + theoretical_lam = 0.2182 + + PATH PARAMETERS: + numerical_method : Path-Alg + lamin = 0.001 + Nlam = 80 + + maximum active variables = 117 + + STABILITY SELECTION PARAMETERS: + numerical_method : Path-Alg + method : lam + B = 50 + q = 10 + percent_nS = 0.5 + threshold = 0.7 + lam = theoretical + theoretical_lam = 0.3085 + + LAMBDA FIXED : + Sigma = 0.633 + Selected variables : 15 18 19 23 25 27 43 47 50 53 57 58 62 89 93 94 104 107 + Running time : 0.032s + + PATH COMPUTATION : + Running time : 0.23s + + STABILITY SELECTION : + Selected variables : 18 19 43 62 94 107 + Running time : 1.002s + + + + + +Solve for R4 +^^^^^^^^^^^^^^^^^^^^^^^^^^^ +Remark : we reset the numerical method here, +because it has been automatically set to '¨Path-Alg' +for previous computations, but for R4, "DR" is much better +as explained in the documentation, R4 "Path-Alg" is a method for fixed lambda +but is (paradoxically) bad to compute the lambda-path +because of the absence of possible warm-start in this method + + +.. code-block:: default + + + problem.model_selection.PATHparameters.numerical_method = "DR" + problem.formulation.huber = True + problem.solve() + print(problem, problem.solution) + + + + + +.. rst-class:: sphx-glr-horizontal + + + * + + .. image:: /auto_examples/images/sphx_glr_plot_pH_example_014.png + :alt: Coefficients at $\lambda$ = 0.218 + :class: sphx-glr-multi-img + + * + + .. image:: /auto_examples/images/sphx_glr_plot_pH_example_015.png + :alt: Coefficients across $\lambda$-path using R4 + :class: sphx-glr-multi-img + + * + + .. image:: /auto_examples/images/sphx_glr_plot_pH_example_016.png + :alt: Scale estimate across $\lambda$-path using R4 + :class: sphx-glr-multi-img + + * + + .. image:: /auto_examples/images/sphx_glr_plot_pH_example_017.png + :alt: Stability selection profile of type lam using R4 + :class: sphx-glr-multi-img + + * + + .. image:: /auto_examples/images/sphx_glr_plot_pH_example_018.png + :alt: Refitted coefficients after stability selection + :class: sphx-glr-multi-img + + +.. rst-class:: sphx-glr-script-out + + Out: + + .. code-block:: none + + + + FORMULATION: R4 + + MODEL SELECTION COMPUTED: + Lambda fixed + Path + Stability selection + + LAMBDA FIXED PARAMETERS: + numerical_method = Path-Alg + rescaled lam : True + threshold = 0.008 + lam : theoretical + theoretical_lam = 0.2182 + + PATH PARAMETERS: + numerical_method : DR + lamin = 0.001 + Nlam = 80 + + maximum active variables = 117 + + STABILITY SELECTION PARAMETERS: + numerical_method : Path-Alg + method : lam + B = 50 + q = 10 + percent_nS = 0.5 + threshold = 0.7 + lam = theoretical + theoretical_lam = 0.3085 + + LAMBDA FIXED : + Sigma = 0.284 + Selected variables : 15 18 19 23 27 43 47 50 53 57 58 62 89 93 94 104 107 + Running time : 0.052s + + PATH COMPUTATION : + Running time : 79.059s + + STABILITY SELECTION : + Selected variables : 18 19 43 62 94 107 + Running time : 1.474s + + + + + + +.. rst-class:: sphx-glr-timing + + **Total running time of the script:** ( 1 minutes 29.420 seconds) + + +.. _sphx_glr_download_auto_examples_plot_pH_example.py: + + +.. only :: html + + .. container:: sphx-glr-footer + :class: sphx-glr-footer-example + + + + .. container:: sphx-glr-download sphx-glr-download-python + + :download:`Download Python source code: plot_pH_example.py ` + + + + .. container:: sphx-glr-download sphx-glr-download-jupyter + + :download:`Download Jupyter notebook: plot_pH_example.ipynb ` + + +.. only:: html + + .. rst-class:: sphx-glr-signature + + `Gallery generated by Sphinx-Gallery `_ diff --git a/docs/source/auto_examples/plot_pH_example_codeobj.pickle b/docs/source/auto_examples/plot_pH_example_codeobj.pickle new file mode 100644 index 0000000000000000000000000000000000000000..744a589e68eb58c8d39b17ca55cf47f01430b628 GIT binary patch literal 1555 zcma)6&u`N(6lU~SARS^77ZB1oaM&&ePDn@`hLGR@0?{4DVTzo@#g?2nvz=rT5GzFS7#vh4hF{UEE<^j}m-A0CNKA z0raS%64B;0FdX^|RK-hRGGl*Y9pMh}Iy9tDTsSdL>jWT&@JNxBedz1i`Ny>c?*n9S z3;+qoUPACaD)WTY-fdO<+=ovtkfOM7T79)6T^3+&m;H1Vo);)1IB%>8=8(?y?LP=| z5KlU+FdL4)a<{}h*mSnx?OyCK``0Q{53FVL8#>)D@U5@z-~tNr68h)nowp@aOdu|B znqfDytEt&;&4>bV_JX2iOymwc_xP7JzN>AfaXcfuB@a|m(Udh%8um#? z+?8h?Xnft|UkH}E$Yz@@eAw%4$=x<-Wri(CBug-l_Nn2`_ we study several microbiome data sets. We showcase two examples below. + +BMI prediction using the COMBO dataset +""""""""""""""""""""""""""""""""""""""""""""" + +We first consider the [COMBO data set](./examples/COMBO_data) and show how to predict Body Mass Index (BMI) from microbial genus abundances and two non-compositional covariates using "filtered_data". + +.. code-block:: python + + from classo import csv_to_np, classo_problem, clr + + # Load microbiome and covariate data X + X0 = csv_to_np('COMBO_data/complete_data/GeneraCounts.csv', begin = 0).astype(float) + X_C = csv_to_np('COMBO_data/CaloriData.csv', begin = 0).astype(float) + X_F = csv_to_np('COMBO_data/FatData.csv', begin = 0).astype(float) + + # Load BMI measurements y + y = csv_to_np('COMBO_data/BMI.csv', begin = 0).astype(float)[:, 0] + labels = csv_to_np('COMBO_data/complete_data/GeneraPhylo.csv').astype(str)[:, -1] + + + # Normalize/transform data + y = y - np.mean(y) #BMI data (n = 96) + X_C = X_C - np.mean(X_C, axis = 0) #Covariate data (Calorie) + X_F = X_F - np.mean(X_F, axis = 0) #Covariate data (Fat) + X0 = clr(X0, 1 / 2).T + + # Set up design matrix and zero-sum constraints for 45 genera + X = np.concatenate((X0, X_C, X_F, np.ones((len(X0), 1))), axis = 1) # Joint microbiome and covariate data and offset + label = np.concatenate([labels, np.array(['Calorie', 'Fat', 'Bias'])]) + C = np.ones((1, len(X[0]))) + C[0, -1], C[0, -2], C[0, -3] = 0., 0., 0. + + + # Set up c-lassso problem + problem = classo_problem(X, y, C, label = label) + + + # Use stability selection with theoretical lambda [Combettes & Müller, 2020b] + problem.model_selection.StabSelparameters.method = 'lam' + problem.model_selection.StabSelparameters.threshold_label = 0.5 + + # Use formulation R3 + problem.formulation.concomitant = True + + problem.solve() + print(problem) + print(problem.solution) + + # Use formulation R4 + problem.formulation.huber = True + problem.formulation.concomitant = True + + problem.solve() + print(problem) + print(problem.solution) + + + +.. image:: ../../figures/exampleFilteredCOMBO/R3-StabSel.png + :width: 400pt + :align: center + +.. image:: ../../figures/exampleFilteredCOMBO/R3-StabSel-beta.png + :width: 400pt + :align: center + +.. image:: ../../figures/exampleFilteredCOMBO/R4-StabSel.png + :width: 400pt + :align: center + +.. image:: ../../figures/exampleFilteredCOMBO/R4-StabSel-beta.png + :width: 400pt + :align: center + + + + +pH prediction using the Central Park soil dataset +"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""" + +The next microbiome example considers the `Central Park Soil dataset <../../examples/pH_data>`_ from `Ramirez et al. `_. The sample locations are shown in the Figure on the right. +The task is to predict pH concentration in the soil from microbial abundance data. This task was also considered in `Tree-Aggregated Predictive Modeling of Microbiome Data `_. + +Code to run this application is available in `the accompanying notebook <./examples/example-notebook.ipynb>`_ under `pH data <../../examples/pH_data>`_ Below is a summary of a c-lasso problem instance (using the R3 formulation). + +.. code-block:: + + FORMULATION: R3 + + MODEL SELECTION COMPUTED: + Lambda fixed + Path + Stability selection + + LAMBDA FIXED PARAMETERS: + numerical_method = Path-Alg + rescaled lam : True + threshold = 0.008 + lam : theoretical + theoretical_lam = 0.2182 + + PATH PARAMETERS: + numerical_method : Path-Alg + lamin = 0.001 + Nlam = 80 + + + STABILITY SELECTION PARAMETERS: + numerical_method : Path-Alg + method : lam + B = 50 + q = 10 + percent_nS = 0.5 + threshold = 0.7 + lam = theoretical + theoretical_lam = 0.3085 + + +The c-lasso estimation results are summarized below: + +.. code-block:: + + LAMBDA FIXED : + Sigma = 0.633 + Selected variables : 15 18 19 23 25 27 43 47 50 53 57 58 62 89 93 94 104 107 + Running time : 0.031s + + PATH COMPUTATION : + Running time : 0.174s + + STABILITY SELECTION : + Selected variables : 18 19 43 62 94 107 + Running time : 0.826s + + + +.. image:: ../../figures/examplePH/R3-Beta-path.png + :width: 400pt + :align: center + +.. image:: ../../figures/examplePH/R3-Sigma-path.png + :width: 400pt + :align: center + +.. image:: ../../figures/examplePH/R3-StabSel.png + :width: 400pt + :align: center + +.. image:: ../../figures/examplePH/R3-StabSel-beta.png + :width: 400pt + :align: center + +.. image:: ../../figures/examplePH/R3-beta.png + :width: 400pt + :align: center + diff --git a/docs/source/getting-started.rst b/docs/source/getting-started.rst index bbf9930..41a5698 100644 --- a/docs/source/getting-started.rst +++ b/docs/source/getting-started.rst @@ -22,6 +22,8 @@ To use the c-lasso package in Python, type from classo import classo_problem # one can add auxiliary functions as well such as random_data or csv_to_np +Dependencies +^^^^^^^^^^^^^^ The `c-lasso` package depends on the following Python packages: @@ -31,385 +33,3 @@ The `c-lasso` package depends on the following Python packages: - ``pandas``; - ``h5py`` - ``pytest`` (for tests) - - - -Examples on synthetic data -^^^^^^^^^^^^^^^^^^^^^^^^^^^^ - - -Basic example -"""""""""""""""" - - -We begin with a basic example that shows how to run c-lasso on synthetic data. This example and the next one can be found on the notebook 'Synthetic data Notebook.ipynb' - -The c-lasso package includes -the routine ``random_data`` that allows you to generate problem instances using normally distributed data. - -.. code-block:: python - - m, d, d_nonzero, k, sigma = 100, 200, 5, 1, 0.5 - (X, C, y), sol = random_data(m, d, d_nonzero, k, sigma, zerosum=True, seed=1) - -This code snippet generates a problem instance with sparse :math:`\beta` in dimension -d=100 (sparsity d_nonzero=5). The design matrix X comprises n=100 samples generated from an i.i.d standard normal -distribution. The dimension of the constraint matrix C is d x k matrix. The noise level is :math:`\sigma=0.5`. -The input ``zerosum=True`` implies that C is the all-ones vector and :math:`C\beta=0`. The n-dimensional outcome vector y -and the regression vector :math:`\beta` is then generated to satisfy the given constraints. - -Next we can define a default c-lasso problem instance with the generated data: - -.. code-block:: python - - problem = classo_problem(X, y, C) - -You can look at the generated problem instance by typing: - -.. code-block:: python - - print(problem) - - -This gives you a summary of the form: - -.. code-block:: - - FORMULATION: R3 - - MODEL SELECTION COMPUTED: - Stability selection - - STABILITY SELECTION PARAMETERS: - numerical_method : not specified - method : first - B = 50 - q = 10 - percent_nS = 0.5 - threshold = 0.7 - lamin = 0.01 - Nlam = 50 - -As we have not specified any problem, algorithm, or model selection settings, this problem instance -represents the *default* settings for a c-lasso instance: -- The problem is of regression type and uses formulation [R3], i.e. with concomitant scale estimation. -- The *default* optimization scheme is the path algorithm (see [Optimization schemes](#optimization-schemes) for further info). -- For model selection, stability selection at a theoretically derived :math:`\beta` value is used (see [Reference](#references) [4] for details). Stability selection comprises a relatively large number of parameters. For a description of the settings, we refer to the more advanced examples below and the API. - -You can solve the corresponding c-lasso problem instance using - -.. code-block:: python - - problem.solve() - - -After completion, the results of the optimization and model selection routines -can be visualized using - -.. code-block:: python - - print(problem.solution) - - -The command shows the running time(s) for the c-lasso problem instance, and the selected variables for sability selection - -.. code-block:: - - STABILITY SELECTION : - Selected variables : 7 63 148 164 168 - Running time : 1.546s - - -Here, we only used stability selection as *default* model selection strategy. -The command also allows you to inspect the computed stability profile for all variables -at the theoretical :math:`\lambda`. - -.. image:: ../../figures/basic/StabSel.png - :width: 400pt - :align: center - - -The refitted :math:`\beta` values on the selected support are also displayed in the next plot - - -.. image:: ../../figures/basic/beta.png - :width: 400pt - :align: center - - - -Advanced example -^^^^^^^^^^^^^^^^^^ - -In the next example, we show how one can specify different aspects of the problem -formulation and model selection strategy. - -.. code-block:: python - - m, d, d_nonzero, k, sigma = 100, 200, 5, 0, 0.5 - (X, C, y), sol = random_data(m, d, d_nonzero, k, sigma, zerosum = True, seed = 4) - problem = classo_problem(X, y, C) - problem.formulation.huber = True - problem.formulation.concomitant = False - problem.model_selection.CV = True - problem.model_selection.LAMfixed = True - problem.model_selection.PATH = True - problem.model_selection.StabSelparameters.method = 'max' - problem.model_selection.CVparameters.seed = 1 - problem.model_selection.LAMfixedparameters.rescaled_lam = True - problem.model_selection.LAMfixedparameters.lam = .1 - - problem.solve() - print(problem) - - print(problem.solution) - - - -Results : - -.. code-block:: - - FORMULATION: R2 - - MODEL SELECTION COMPUTED: - Lambda fixed - Path - Cross Validation - Stability selection - - LAMBDA FIXED PARAMETERS: - numerical_method = Path-Alg - rescaled lam : True - threshold = 0.09 - lam = 0.1 - theoretical_lam = 0.224 - - PATH PARAMETERS: - numerical_method : Path-Alg - lamin = 0.001 - Nlam = 80 - - - CROSS VALIDATION PARAMETERS: - numerical_method : Path-Alg - one-SE method : True - Nsubset = 5 - lamin = 0.001 - Nlam = 80 - - - STABILITY SELECTION PARAMETERS: - numerical_method : Path-Alg - method : max - B = 50 - q = 10 - percent_nS = 0.5 - threshold = 0.7 - lamin = 0.01 - Nlam = 50 - - LAMBDA FIXED : - Selected variables : 17 59 123 - Running time : 0.104s - - PATH COMPUTATION : - Running time : 0.638s - - CROSS VALIDATION : - Selected variables : 16 17 57 59 64 73 74 76 93 115 123 134 137 181 - Running time : 2.1s - - STABILITY SELECTION : - Selected variables : 17 59 76 123 137 - Running time : 6.062s - - - -.. image:: ../../figures/advanced/StabSel.png - :width: 400pt - :align: center - -.. image:: ../../figures/advanced/StabSel-beta.png - :width: 400pt - :align: center - -.. image:: ../../figures/advanced/CVbeta.png - :width: 400pt - :align: center - -.. image:: ../../figures/advanced/CV.png - :width: 400pt - :align: center - -.. image:: ../../figures/advanced/beta.png - :width: 400pt - :align: center - -.. image:: ../../figures/advanced/Beta-path.png - :width: 400pt - :align: center - - - - -Log-contrast regression for microbiome data -^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ - -In the `the accompanying notebook <./examples/example-notebook.ipynb>`_ we study several microbiome data sets. We showcase two examples below. - -BMI prediction using the COMBO dataset -""""""""""""""""""""""""""""""""""""""""""""" - -We first consider the [COMBO data set](./examples/COMBO_data) and show how to predict Body Mass Index (BMI) from microbial genus abundances and two non-compositional covariates using "filtered_data". - -.. code-block:: python - - from classo import csv_to_np, classo_problem, clr - - # Load microbiome and covariate data X - X0 = csv_to_np('COMBO_data/complete_data/GeneraCounts.csv', begin = 0).astype(float) - X_C = csv_to_np('COMBO_data/CaloriData.csv', begin = 0).astype(float) - X_F = csv_to_np('COMBO_data/FatData.csv', begin = 0).astype(float) - - # Load BMI measurements y - y = csv_to_np('COMBO_data/BMI.csv', begin = 0).astype(float)[:, 0] - labels = csv_to_np('COMBO_data/complete_data/GeneraPhylo.csv').astype(str)[:, -1] - - - # Normalize/transform data - y = y - np.mean(y) #BMI data (n = 96) - X_C = X_C - np.mean(X_C, axis = 0) #Covariate data (Calorie) - X_F = X_F - np.mean(X_F, axis = 0) #Covariate data (Fat) - X0 = clr(X0, 1 / 2).T - - # Set up design matrix and zero-sum constraints for 45 genera - X = np.concatenate((X0, X_C, X_F, np.ones((len(X0), 1))), axis = 1) # Joint microbiome and covariate data and offset - label = np.concatenate([labels, np.array(['Calorie', 'Fat', 'Bias'])]) - C = np.ones((1, len(X[0]))) - C[0, -1], C[0, -2], C[0, -3] = 0., 0., 0. - - - # Set up c-lassso problem - problem = classo_problem(X, y, C, label = label) - - - # Use stability selection with theoretical lambda [Combettes & Müller, 2020b] - problem.model_selection.StabSelparameters.method = 'lam' - problem.model_selection.StabSelparameters.threshold_label = 0.5 - - # Use formulation R3 - problem.formulation.concomitant = True - - problem.solve() - print(problem) - print(problem.solution) - - # Use formulation R4 - problem.formulation.huber = True - problem.formulation.concomitant = True - - problem.solve() - print(problem) - print(problem.solution) - - - -.. image:: ../../figures/exampleFilteredCOMBO/R3-StabSel.png - :width: 400pt - :align: center - -.. image:: ../../figures/exampleFilteredCOMBO/R3-StabSel-beta.png - :width: 400pt - :align: center - -.. image:: ../../figures/exampleFilteredCOMBO/R4-StabSel.png - :width: 400pt - :align: center - -.. image:: ../../figures/exampleFilteredCOMBO/R4-StabSel-beta.png - :width: 400pt - :align: center - - - - -pH prediction using the Central Park soil dataset -"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""" - -The next microbiome example considers the `Central Park Soil dataset <../../examples/pH_data>`_ from `Ramirez et al. `_. The sample locations are shown in the Figure on the right. -The task is to predict pH concentration in the soil from microbial abundance data. This task was also considered in `Tree-Aggregated Predictive Modeling of Microbiome Data `_. - -Code to run this application is available in `the accompanying notebook <./examples/example-notebook.ipynb>`_ under `pH data <../../examples/pH_data>`_ Below is a summary of a c-lasso problem instance (using the R3 formulation). - -.. code-block:: - - FORMULATION: R3 - - MODEL SELECTION COMPUTED: - Lambda fixed - Path - Stability selection - - LAMBDA FIXED PARAMETERS: - numerical_method = Path-Alg - rescaled lam : True - threshold = 0.008 - lam : theoretical - theoretical_lam = 0.2182 - - PATH PARAMETERS: - numerical_method : Path-Alg - lamin = 0.001 - Nlam = 80 - - - STABILITY SELECTION PARAMETERS: - numerical_method : Path-Alg - method : lam - B = 50 - q = 10 - percent_nS = 0.5 - threshold = 0.7 - lam = theoretical - theoretical_lam = 0.3085 - - -The c-lasso estimation results are summarized below: - -.. code-block:: - - LAMBDA FIXED : - Sigma = 0.633 - Selected variables : 15 18 19 23 25 27 43 47 50 53 57 58 62 89 93 94 104 107 - Running time : 0.031s - - PATH COMPUTATION : - Running time : 0.174s - - STABILITY SELECTION : - Selected variables : 18 19 43 62 94 107 - Running time : 0.826s - - - -.. image:: ../../figures/examplePH/R3-Beta-path.png - :width: 400pt - :align: center - -.. image:: ../../figures/examplePH/R3-Sigma-path.png - :width: 400pt - :align: center - -.. image:: ../../figures/examplePH/R3-StabSel.png - :width: 400pt - :align: center - -.. image:: ../../figures/examplePH/R3-StabSel-beta.png - :width: 400pt - :align: center - -.. image:: ../../figures/examplePH/R3-beta.png - :width: 400pt - :align: center - diff --git a/examples/plot_advanced_example.py b/examples/plot_advanced_example.py index 2c5130b..2d3524f 100755 --- a/examples/plot_advanced_example.py +++ b/examples/plot_advanced_example.py @@ -3,7 +3,7 @@ =============== Let's present how one can specify different aspects of the problem -formulation and model selection strategy on classo, using synthetic data +formulation and model selection strategy on classo, using synthetic data. """ from classo import classo_problem, random_data @@ -21,6 +21,10 @@ m, d, d_nonzero, k, sigma = 100, 200, 5, 1, 0.5 (X, C, y), sol = random_data(m, d, d_nonzero, k, sigma, zerosum=True, seed=1) +# %% +# Remark : one can see the parameters that should be selected : +print(np.nonzero(sol)) + # %% # Define the classo instance # ^^^^^^^^^^^^^^^^^^^^^^^^^^^ diff --git a/examples/plot_basic_example.py b/examples/plot_basic_example.py index e036c46..1092e66 100755 --- a/examples/plot_basic_example.py +++ b/examples/plot_basic_example.py @@ -2,7 +2,7 @@ Basic example =============== -Let's present what classo does when using its default parameters on synthetic data +Let's present what classo does when using its default parameters on synthetic data. """ from classo import classo_problem, random_data @@ -20,6 +20,10 @@ m, d, d_nonzero, k, sigma = 100, 200, 5, 1, 0.5 (X, C, y), sol = random_data(m, d, d_nonzero, k, sigma, zerosum=True, seed=1) +# %% +# Remark : one can see the parameters that should be selected : +print(np.nonzero(sol)) + # %% # Define the classo instance # ^^^^^^^^^^^^^^^^^^^^^^^^^^^ diff --git a/examples/plot_combo_example.py b/examples/plot_combo_example.py new file mode 100755 index 0000000..94c4235 --- /dev/null +++ b/examples/plot_combo_example.py @@ -0,0 +1,74 @@ +r""" +BMI prediction using the COMBO dataset +========================================== + +We first consider the `COMBO data set `_ +and show how to predict Body Mass Index (BMI) from microbial genus abundances and two non-compositional covariates using "filtered_data". +""" + +from classo import csv_to_np, classo_problem, clr +import numpy as np + +# %% +# Load microbiome and covariate data X +# ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + +X0 = csv_to_np('COMBO_data/complete_data/GeneraCounts.csv', begin = 0).astype(float) +X_C = csv_to_np('COMBO_data/CaloriData.csv', begin = 0).astype(float) +X_F = csv_to_np('COMBO_data/FatData.csv', begin = 0).astype(float) + +# %% +# Load BMI measurements y +# ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ +y = csv_to_np('COMBO_data/BMI.csv', begin = 0).astype(float)[:, 0] +labels = csv_to_np('COMBO_data/complete_data/GeneraPhylo.csv').astype(str)[:, -1] + + +# %% +# Normalize/transform data +# ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ +y = y - np.mean(y) #BMI data (n = 96) +X_C = X_C - np.mean(X_C, axis = 0) #Covariate data (Calorie) +X_F = X_F - np.mean(X_F, axis = 0) #Covariate data (Fat) +X0 = clr(X0, 1 / 2).T + +# %% +# Set up design matrix and zero-sum constraints for 45 genera +# ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ +X = np.concatenate((X0, X_C, X_F, np.ones((len(X0), 1))), axis = 1) # Joint microbiome and covariate data and offset +label = np.concatenate([labels, np.array(['Calorie', 'Fat', 'Bias'])]) +C = np.ones((1, len(X[0]))) +C[0, -1], C[0, -2], C[0, -3] = 0., 0., 0. + + + + +# %% +# Set up c-lassso problem +# ^^^^^^^^^^^^^^^^^^^^^^^^^^^ + +problem = classo_problem(X, y, C) + +# %% +# Use stability selection with theoretical lambda [Combettes & Müller, 2020b] +problem.model_selection.StabSelparameters.method = 'lam' +problem.model_selection.StabSelparameters.threshold_label = 0.5 + +# %% +# Use formulation R3 +# ^^^^^^^^^^^^^^^^^^^^^^^^^^^ +problem.formulation.concomitant = True + +problem.solve() +print(problem) +print(problem.solution) + +# %% +# Use formulation R4 +# ^^^^^^^^^^^^^^^^^^^^^^^^^^^ +problem.formulation.huber = True +problem.formulation.concomitant = True + +problem.solve() +print(problem) +print(problem.solution) diff --git a/examples/plot_pH_example.py b/examples/plot_pH_example.py new file mode 100755 index 0000000..b45d239 --- /dev/null +++ b/examples/plot_pH_example.py @@ -0,0 +1,77 @@ +r""" +pH prediction using the Central Park soil dataset +=================================================== + +The next microbiome example considers the +`Central Park Soil dataset `_ from +`Ramirez et al. `_. The sample locations are shown in the Figure on the right. +The task is to predict pH concentration in the soil from microbial abundance data. This task was also considered in `Tree-Aggregated Predictive Modeling of Microbiome Data `_. +""" + +from classo import classo_problem +import numpy as np +from copy import deepcopy as dc +import scipy.io as sio + +# %% +# Load data +# ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + +pH = sio.loadmat("pH_data/pHData.mat") +tax = sio.loadmat("pH_data/taxTablepHData.mat")["None"][0] + +X, Y_uncent = pH["X"], pH["Y"].T[0] +y = Y_uncent - np.mean(Y_uncent) # Center Y +print(X.shape) + +# %% +# Set up c-lassso problem +# ^^^^^^^^^^^^^^^^^^^^^^^^^^^ + +problem = classo_problem(X, y) + +problem.model_selection.StabSelparameters.method = 'lam' +problem.model_selection.PATH = True +problem.model_selection.LAMfixed = True +problem.model_selection.PATHparameters.n_active = X.shape[1] + 1 + +# %% +# Solve for R1 +# ^^^^^^^^^^^^^^^^^^^^^^^^^^^ +problem.formulation.concomitant = False +problem.solve() +print(problem, problem.solution) + +# %% +# Solve for R2 +# ^^^^^^^^^^^^^^^^^^^^^^^^^^^ +problem.formulation.huber = True +problem.solve() +print(problem, problem.solution) + + +# %% +# Solve for R3 +# ^^^^^^^^^^^^^^^^^^^^^^^^^^^ +problem.formulation.concomitant = True +problem.formulation.huber = False +problem.solve() +print(problem, problem.solution) + + +# %% +# Solve for R4 +# ^^^^^^^^^^^^^^^^^^^^^^^^^^^ +# Remark : we reset the numerical method here, +# because it has been automatically set to '¨Path-Alg' +# for previous computations, but for R4, "DR" is much better +# as explained in the documentation, R4 "Path-Alg" is a method for fixed lambda +# but is (paradoxically) bad to compute the lambda-path +# because of the absence of possible warm-start in this method + +problem.model_selection.PATHparameters.numerical_method = "DR" +problem.formulation.huber = True +problem.solve() +print(problem, problem.solution) + + diff --git a/setup.py b/setup.py index bb5dc48..4c3d90e 100755 --- a/setup.py +++ b/setup.py @@ -12,12 +12,34 @@ packages=['classo'], install_requires = [ 'numpy', - 'matplotlib', - 'pandas', 'h5py', - 'scipy', - 'pytest' + 'scipy' ], + extras_require = { + 'tests': [ + 'pytest', + 'pytest-cov'], + 'docs': [ + 'sphinx', + 'sphinx-gallery', + 'sphinx_rtd_theme', + 'sphinxcontrib-bibtex', + 'numpydoc', + 'matplotlib', + 'pandas', + ] + }, + classifiers=['Intended Audience :: Science/Research', + 'Operating System :: Microsoft :: Windows', + 'Operating System :: POSIX', + 'Operating System :: Unix', + 'Operating System :: MacOS', + 'Programming Language :: Python :: 3', + 'Programming Language :: Python :: 3.6', + 'Programming Language :: Python :: 3.7', + 'Programming Language :: Python :: 3.8', + 'Programming Language :: Python :: 3.9', + ], long_description_content_type = 'text/markdown', long_description=open('README.md').read(), zip_safe=False)