From c8c942c43643131a7ef9899826a7095e497150fe Mon Sep 17 00:00:00 2001 From: Marc Glisse Date: Thu, 26 Mar 2020 22:10:26 +0100 Subject: cmake --- src/python/test/test_dtm.py | 32 ++++++++++++++++++++++++++++++++ 1 file changed, 32 insertions(+) create mode 100755 src/python/test/test_dtm.py (limited to 'src/python/test') diff --git a/src/python/test/test_dtm.py b/src/python/test/test_dtm.py new file mode 100755 index 00000000..57fdd131 --- /dev/null +++ b/src/python/test/test_dtm.py @@ -0,0 +1,32 @@ +""" This file is part of the Gudhi Library - https://gudhi.inria.fr/ - which is released under MIT. + See file LICENSE or go to https://gudhi.inria.fr/licensing/ for full license details. + Author(s): Marc Glisse + + Copyright (C) 2020 Inria + + Modification(s): + - YYYY/MM Author: Description of the modification +""" + +from gudhi.point_cloud.dtm import DTM +import numpy + + +def test_dtm_euclidean(): + pts = numpy.random.rand(1000,4) + k = 3 + dtm = DTM(k,implementation="ckdtree") + print(dtm.fit_transform(pts)) + dtm = DTM(k,implementation="sklearn") + print(dtm.fit_transform(pts)) + dtm = DTM(k,implementation="sklearn",algorithm="brute") + print(dtm.fit_transform(pts)) + dtm = DTM(k,implementation="hnsw") + print(dtm.fit_transform(pts)) + from scipy.spatial.distance import cdist + d = cdist(pts,pts) + dtm = DTM(k,metric="precomputed") + print(dtm.fit_transform(d)) + dtm = DTM(k,implementation="keops") + print(dtm.fit_transform(pts)) + -- cgit v1.2.3 From f74c71ca8e474ff927cae029ea63329d30293582 Mon Sep 17 00:00:00 2001 From: Marc Glisse Date: Fri, 27 Mar 2020 13:43:58 +0100 Subject: Improve coverage --- src/python/gudhi/point_cloud/dtm.py | 2 ++ src/python/test/test_dtm.py | 48 +++++++++++++++++++++++++------------ 2 files changed, 35 insertions(+), 15 deletions(-) (limited to 'src/python/test') diff --git a/src/python/gudhi/point_cloud/dtm.py b/src/python/gudhi/point_cloud/dtm.py index 839e7452..541b74a6 100644 --- a/src/python/gudhi/point_cloud/dtm.py +++ b/src/python/gudhi/point_cloud/dtm.py @@ -30,6 +30,8 @@ class DTM: X (numpy.array): coordinates for mass points """ if self.params.setdefault("metric", "euclidean") != "neighbors": + # KNN gives sorted distances, which is unnecessary here. + # Maybe add a parameter to say we don't need sorting? self.knn = KNN(self.k, return_index=False, return_distance=True, **self.params) self.knn.fit(X) return self diff --git a/src/python/test/test_dtm.py b/src/python/test/test_dtm.py index 57fdd131..841f8c3c 100755 --- a/src/python/test/test_dtm.py +++ b/src/python/test/test_dtm.py @@ -10,23 +10,41 @@ from gudhi.point_cloud.dtm import DTM import numpy +import pytest -def test_dtm_euclidean(): - pts = numpy.random.rand(1000,4) +def test_dtm_compare_euclidean(): + pts = numpy.random.rand(1000, 4) k = 3 - dtm = DTM(k,implementation="ckdtree") - print(dtm.fit_transform(pts)) - dtm = DTM(k,implementation="sklearn") - print(dtm.fit_transform(pts)) - dtm = DTM(k,implementation="sklearn",algorithm="brute") - print(dtm.fit_transform(pts)) - dtm = DTM(k,implementation="hnsw") - print(dtm.fit_transform(pts)) + dtm = DTM(k, implementation="ckdtree") + r0 = dtm.fit_transform(pts) + dtm = DTM(k, implementation="sklearn") + r1 = dtm.fit_transform(pts) + assert r1 == pytest.approx(r0) + dtm = DTM(k, implementation="sklearn", algorithm="brute") + r2 = dtm.fit_transform(pts) + assert r2 == pytest.approx(r0) + dtm = DTM(k, implementation="hnsw") + r3 = dtm.fit_transform(pts) + assert r3 == pytest.approx(r0) from scipy.spatial.distance import cdist - d = cdist(pts,pts) - dtm = DTM(k,metric="precomputed") - print(dtm.fit_transform(d)) - dtm = DTM(k,implementation="keops") - print(dtm.fit_transform(pts)) + d = cdist(pts, pts) + dtm = DTM(k, metric="precomputed") + r4 = dtm.fit_transform(d) + assert r4 == pytest.approx(r0) + dtm = DTM(k, implementation="keops") + r5 = dtm.fit_transform(pts) + assert r5 == pytest.approx(r0) + + +def test_dtm_precomputed(): + dist = numpy.array([[1.0, 3, 8], [1, 5, 5], [0, 2, 3]]) + dtm = DTM(2, q=1, metric="neighbors") + r = dtm.fit_transform(dist) + assert r == pytest.approx([2.0, 3, 1]) + + dist = numpy.array([[2.0, 2], [0, 1], [3, 4]]) + dtm = DTM(2, q=2, metric="neighbors") + r = dtm.fit_transform(dist) + assert r == pytest.approx([2.0, .707, 3.5355], rel=.01) -- cgit v1.2.3 From 03376ffe0f6060864ee8908893297f8800b7b8d1 Mon Sep 17 00:00:00 2001 From: Marc Glisse Date: Fri, 27 Mar 2020 20:27:10 +0100 Subject: doc --- src/python/doc/point_cloud.rst | 17 +++++++++++++++-- src/python/gudhi/point_cloud/dtm.py | 6 +++++- src/python/gudhi/point_cloud/knn.py | 31 ++++++++++++++++++------------- src/python/test/test_dtm.py | 2 +- 4 files changed, 39 insertions(+), 17 deletions(-) (limited to 'src/python/test') diff --git a/src/python/doc/point_cloud.rst b/src/python/doc/point_cloud.rst index c0d4b303..351b0786 100644 --- a/src/python/doc/point_cloud.rst +++ b/src/python/doc/point_cloud.rst @@ -21,10 +21,23 @@ Subsampling :special-members: :show-inheritance: -TimeDelayEmbedding ------------------- +Time Delay Embedding +-------------------- .. autoclass:: gudhi.point_cloud.timedelay.TimeDelayEmbedding :members: :special-members: __call__ +Nearest neighbors +----------------- + +.. automodule:: gudhi.point_cloud.knn + :members: + :special-members: __init__ + +Distance to measure +------------------- + +.. automodule:: gudhi.point_cloud.dtm + :members: + :special-members: __init__ diff --git a/src/python/gudhi/point_cloud/dtm.py b/src/python/gudhi/point_cloud/dtm.py index 541b74a6..e4096c5e 100644 --- a/src/python/gudhi/point_cloud/dtm.py +++ b/src/python/gudhi/point_cloud/dtm.py @@ -11,11 +11,15 @@ from .knn import KNN class DTM: + """ + Class to compute the distance to the empirical measure defined by a point set. + """ + def __init__(self, k, q=2, **kwargs): """ Args: q (float): order used to compute the distance to measure. Defaults to the dimension, or 2 if input_type is 'distance_matrix'. - kwargs: Same parameters as KNN, except that metric="neighbors" means that transform() expects an array with the distances to the k nearest neighbors. + kwargs: Same parameters as :class:`~gudhi.point_cloud.knn.KNN`, except that metric="neighbors" means that :func:`transform` expects an array with the distances to the k nearest neighbors. """ self.k = k self.q = q diff --git a/src/python/gudhi/point_cloud/knn.py b/src/python/gudhi/point_cloud/knn.py index a4ea3acd..02448530 100644 --- a/src/python/gudhi/point_cloud/knn.py +++ b/src/python/gudhi/point_cloud/knn.py @@ -11,6 +11,10 @@ import numpy class KNN: + """ + Class wrapping several implementations for computing the k nearest neighbors in a point set. + """ + def __init__(self, k, return_index=True, return_distance=False, metric="euclidean", **kwargs): """ Args: @@ -19,22 +23,17 @@ class KNN: return_distance (bool): if True, return the distance to each neighbor. implementation (str): Choice of the library that does the real work. - * 'keops' for a brute-force, CUDA implementation through pykeops. Useful when the dimension becomes - large (10+) but the number of points remains low (less than a million). - Only "minkowski" and its aliases are supported. + * 'keops' for a brute-force, CUDA implementation through pykeops. Useful when the dimension becomes large (10+) but the number of points remains low (less than a million). Only "minkowski" and its aliases are supported. * 'ckdtree' for scipy's cKDTree. Only "minkowski" and its aliases are supported. - * 'sklearn' for scikit-learn's NearestNeighbors. - Note that this provides in particular an option algorithm="brute". - * 'hnsw' for hnswlib.Index. It is very fast but does not provide guarantees. - Only supports "euclidean" for now. + * 'sklearn' for scikit-learn's NearestNeighbors. Note that this provides in particular an option algorithm="brute". + * 'hnsw' for hnswlib.Index. It can be very fast but does not provide guarantees. Only supports "euclidean" for now. * None will try to select a sensible one (scipy if possible, scikit-learn otherwise). metric (str): see `sklearn.neighbors.NearestNeighbors`. eps (float): relative error when computing nearest neighbors with the cKDTree. p (float): norm L^p on input points (including numpy.inf) if metric is "minkowski". Defaults to 2. n_jobs (int): Number of jobs to schedule for parallel processing of nearest neighbors on the CPU. If -1 is given all processors are used. Default: 1. - - Additional parameters are forwarded to the backends. + kwargs: additional parameters are forwarded to the backends. """ self.k = k self.return_index = return_index @@ -75,20 +74,26 @@ class KNN: if self.params["implementation"] == "ckdtree": # sklearn could handle this, but it is much slower from scipy.spatial import cKDTree + self.kdtree = cKDTree(X) if self.params["implementation"] == "sklearn" and self.metric != "precomputed": # FIXME: sklearn badly handles "precomputed" from sklearn.neighbors import NearestNeighbors - nargs = {k: v for k, v in self.params.items() if k in {"p", "n_jobs", "metric_params", "algorithm", "leaf_size"}} + nargs = { + k: v for k, v in self.params.items() if k in {"p", "n_jobs", "metric_params", "algorithm", "leaf_size"} + } self.nn = NearestNeighbors(self.k, metric=self.metric, **nargs) self.nn.fit(X) if self.params["implementation"] == "hnsw": import hnswlib - self.graph = hnswlib.Index("l2", len(X[0])) # Actually returns squared distances - self.graph.init_index(len(X), **{k:v for k,v in self.params.items() if k in {"ef_construction", "M", "random_seed"}}) + + self.graph = hnswlib.Index("l2", len(X[0])) # Actually returns squared distances + self.graph.init_index( + len(X), **{k: v for k, v in self.params.items() if k in {"ef_construction", "M", "random_seed"}} + ) n = self.params.get("num_threads") if n is None: n = self.params.get("n_jobs", 1) @@ -154,7 +159,7 @@ class KNN: p = self.params["p"] if p == numpy.inf: - # Requires a version of pykeops strictly more recent than 1.3 + # Requires pykeops 1.4 or later mat = (LazyTensor(XX[:, None, :]) - LazyTensor(YY[None, :, :])).abs().max(-1) elif p == 2: # Any even integer? mat = ((LazyTensor(XX[:, None, :]) - LazyTensor(YY[None, :, :])) ** p).sum(-1) diff --git a/src/python/test/test_dtm.py b/src/python/test/test_dtm.py index 841f8c3c..93b13e1a 100755 --- a/src/python/test/test_dtm.py +++ b/src/python/test/test_dtm.py @@ -47,4 +47,4 @@ def test_dtm_precomputed(): dist = numpy.array([[2.0, 2], [0, 1], [3, 4]]) dtm = DTM(2, q=2, metric="neighbors") r = dtm.fit_transform(dist) - assert r == pytest.approx([2.0, .707, 3.5355], rel=.01) + assert r == pytest.approx([2.0, 0.707, 3.5355], rel=0.01) -- cgit v1.2.3 From 68839b95e7751afd04155cd2565cc53362f01fa2 Mon Sep 17 00:00:00 2001 From: Marc Glisse Date: Sat, 28 Mar 2020 10:41:50 +0100 Subject: Missing test --- src/python/CMakeLists.txt | 1 + src/python/test/test_knn.py | 82 +++++++++++++++++++++++++++++++++++++++++++++ 2 files changed, 83 insertions(+) create mode 100755 src/python/test/test_knn.py (limited to 'src/python/test') diff --git a/src/python/CMakeLists.txt b/src/python/CMakeLists.txt index ec0ab1ca..d7a6a4db 100644 --- a/src/python/CMakeLists.txt +++ b/src/python/CMakeLists.txt @@ -411,6 +411,7 @@ if(PYTHONINTERP_FOUND) # DTM if(SCIPY_FOUND AND SKLEARN_FOUND AND TORCH_FOUND AND HNSWLIB_FOUND AND PYKEOPS_FOUND) + add_gudhi_py_test(test_knn) add_gudhi_py_test(test_dtm) endif() diff --git a/src/python/test/test_knn.py b/src/python/test/test_knn.py new file mode 100755 index 00000000..e455fb48 --- /dev/null +++ b/src/python/test/test_knn.py @@ -0,0 +1,82 @@ +""" This file is part of the Gudhi Library - https://gudhi.inria.fr/ - which is released under MIT. + See file LICENSE or go to https://gudhi.inria.fr/licensing/ for full license details. + Author(s): Marc Glisse + + Copyright (C) 2020 Inria + + Modification(s): + - YYYY/MM Author: Description of the modification +""" + +from gudhi.point_cloud.knn import KNN +import numpy as np +import pytest + + +def test_knn_explicit(): + base = np.array([[1.0, 1], [1, 2], [4, 2], [4, 3]]) + query = np.array([[1.0, 1], [2, 2], [4, 4]]) + knn = KNN(2, metric="manhattan", return_distance=True, return_index=True) + knn.fit(base) + r = knn.transform(query) + assert r[0] == pytest.approx(np.array([[0, 1], [1, 0], [3, 2]])) + assert r[1] == pytest.approx(np.array([[0.0, 1], [1, 2], [1, 2]])) + + knn = KNN(2, metric="chebyshev", return_distance=True, return_index=False) + knn.fit(base) + r = knn.transform(query) + assert r == pytest.approx(np.array([[0.0, 1], [1, 1], [1, 2]])) + r = ( + KNN(2, metric="chebyshev", return_distance=True, return_index=False, implementation="keops") + .fit(base) + .transform(query) + ) + assert r == pytest.approx(np.array([[0.0, 1], [1, 1], [1, 2]])) + + knn = KNN(2, metric="minkowski", p=3, return_distance=False, return_index=True) + knn.fit(base) + r = knn.transform(query) + assert np.array_equal(r, [[0, 1], [1, 0], [3, 2]]) + r = ( + KNN(2, metric="minkowski", p=3, return_distance=False, return_index=True, implementation="keops") + .fit(base) + .transform(query) + ) + assert np.array_equal(r, [[0, 1], [1, 0], [3, 2]]) + + dist = np.array([[0.0, 3, 8], [1, 0, 5], [1, 2, 0]]) + knn = KNN(2, metric="precomputed", return_index=True, return_distance=False) + r = knn.fit_transform(dist) + assert np.array_equal(r, [[0, 1], [1, 0], [2, 0]]) + knn = KNN(2, metric="precomputed", return_index=True, return_distance=True) + r = knn.fit_transform(dist) + assert np.array_equal(r[0], [[0, 1], [1, 0], [2, 0]]) + assert np.array_equal(r[1], [[0, 3], [0, 1], [0, 1]]) + + +def test_knn_compare(): + base = np.array([[1.0, 1], [1, 2], [4, 2], [4, 3]]) + query = np.array([[1.0, 1], [2, 2], [4, 4]]) + r0 = KNN(2, implementation="ckdtree", return_index=True, return_distance=False).fit(base).transform(query) + r1 = KNN(2, implementation="sklearn", return_index=True, return_distance=False).fit(base).transform(query) + r2 = KNN(2, implementation="hnsw", return_index=True, return_distance=False).fit(base).transform(query) + r3 = KNN(2, implementation="keops", return_index=True, return_distance=False).fit(base).transform(query) + assert np.array_equal(r0, r1) and np.array_equal(r0, r2) and np.array_equal(r0, r3) + + r0 = KNN(2, implementation="ckdtree", return_index=True, return_distance=True).fit(base).transform(query) + r1 = KNN(2, implementation="sklearn", return_index=True, return_distance=True).fit(base).transform(query) + r2 = KNN(2, implementation="hnsw", return_index=True, return_distance=True).fit(base).transform(query) + r3 = KNN(2, implementation="keops", return_index=True, return_distance=True).fit(base).transform(query) + assert np.array_equal(r0[0], r1[0]) and np.array_equal(r0[0], r2[0]) and np.array_equal(r0[0], r3[0]) + d0 = pytest.approx(r0[1]) + assert r1[1] == d0 and r2[1] == d0 and r3[1] == d0 + + +def test_knn_nop(): + # This doesn't look super useful... + p = np.array([[0.0]]) + assert None is KNN(k=1, return_index=False, return_distance=False, implementation="sklearn").fit_transform(p) + assert None is KNN(k=1, return_index=False, return_distance=False, implementation="ckdtree").fit_transform(p) + assert None is KNN(k=1, return_index=False, return_distance=False, implementation="hnsw", ef=5).fit_transform(p) + assert None is KNN(k=1, return_index=False, return_distance=False, implementation="keops").fit_transform(p) + assert None is KNN(k=1, return_index=False, return_distance=False, metric="precomputed").fit_transform(p) -- cgit v1.2.3 From 990d54f2f13e116f97c1d0f35cbb751015d863fe Mon Sep 17 00:00:00 2001 From: Marc Glisse Date: Sat, 28 Mar 2020 12:20:57 +0100 Subject: Fix test --- src/python/test/test_dtm.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) (limited to 'src/python/test') diff --git a/src/python/test/test_dtm.py b/src/python/test/test_dtm.py index 93b13e1a..1d080ab4 100755 --- a/src/python/test/test_dtm.py +++ b/src/python/test/test_dtm.py @@ -30,7 +30,7 @@ def test_dtm_compare_euclidean(): from scipy.spatial.distance import cdist d = cdist(pts, pts) - dtm = DTM(k, metric="precomputed") + dtm = DTM(k, q=2, metric="precomputed") r4 = dtm.fit_transform(d) assert r4 == pytest.approx(r0) dtm = DTM(k, implementation="keops") -- cgit v1.2.3 From 75286efcf311f0c7c46a7039970d663f60953e14 Mon Sep 17 00:00:00 2001 From: Marc Glisse Date: Sat, 28 Mar 2020 12:59:01 +0100 Subject: Fix test --- src/python/test/test_dtm.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) (limited to 'src/python/test') diff --git a/src/python/test/test_dtm.py b/src/python/test/test_dtm.py index 1d080ab4..33b2f3a2 100755 --- a/src/python/test/test_dtm.py +++ b/src/python/test/test_dtm.py @@ -30,7 +30,7 @@ def test_dtm_compare_euclidean(): from scipy.spatial.distance import cdist d = cdist(pts, pts) - dtm = DTM(k, q=2, metric="precomputed") + dtm = DTM(k, q=4, metric="precomputed") r4 = dtm.fit_transform(d) assert r4 == pytest.approx(r0) dtm = DTM(k, implementation="keops") -- cgit v1.2.3 From dd9457649d0d197bbed6402200e0f2f55655680e Mon Sep 17 00:00:00 2001 From: Marc Glisse Date: Sat, 28 Mar 2020 15:39:15 +0100 Subject: Default param of 2 for DTM --- src/python/gudhi/point_cloud/dtm.py | 14 ++++---------- src/python/test/test_dtm.py | 2 +- 2 files changed, 5 insertions(+), 11 deletions(-) (limited to 'src/python/test') diff --git a/src/python/gudhi/point_cloud/dtm.py b/src/python/gudhi/point_cloud/dtm.py index 678524f2..c26ba844 100644 --- a/src/python/gudhi/point_cloud/dtm.py +++ b/src/python/gudhi/point_cloud/dtm.py @@ -15,11 +15,11 @@ class DTM: Class to compute the distance to the empirical measure defined by a point set. """ - def __init__(self, k, q=None, **kwargs): + def __init__(self, k, q=2, **kwargs): """ Args: k (int): number of neighbors (possibly including the point itself). - q (float): order used to compute the distance to measure. Defaults to the dimension, or 2 if metric is "neighbors" or "distance_matrix". + q (float): order used to compute the distance to measure. Defaults to 2. kwargs: same parameters as :class:`~gudhi.point_cloud.knn.KNN`, except that metric="neighbors" means that :func:`transform` expects an array with the distances to the k nearest neighbors. """ self.k = k @@ -44,19 +44,13 @@ class DTM: Args: X (numpy.array): coordinates for query points, or distance matrix if metric is "precomputed", or distances to the k nearest neighbors if metric is "neighbors" (if the array has more than k columns, the remaining ones are ignored). """ - q = self.q - if q is None: - if self.params["metric"] in {"neighbors", "precomputed"}: - q = 2 - else: - q = len(X[0]) if self.params["metric"] == "neighbors": distances = X[:, : self.k] else: distances = self.knn.transform(X) - distances = distances ** q + distances = distances ** self.q dtm = distances.sum(-1) / self.k - dtm = dtm ** (1.0 / q) + dtm = dtm ** (1.0 / self.q) # We compute too many powers, 1/p in knn then q in dtm, 1/q in dtm then q or some log in the caller. # Add option to skip the final root? return dtm diff --git a/src/python/test/test_dtm.py b/src/python/test/test_dtm.py index 33b2f3a2..93b13e1a 100755 --- a/src/python/test/test_dtm.py +++ b/src/python/test/test_dtm.py @@ -30,7 +30,7 @@ def test_dtm_compare_euclidean(): from scipy.spatial.distance import cdist d = cdist(pts, pts) - dtm = DTM(k, q=4, metric="precomputed") + dtm = DTM(k, metric="precomputed") r4 = dtm.fit_transform(d) assert r4 == pytest.approx(r0) dtm = DTM(k, implementation="keops") -- cgit v1.2.3 From f9a933862050ca95b3a96d7a8572d62f7f2205a9 Mon Sep 17 00:00:00 2001 From: Marc Glisse Date: Sat, 11 Apr 2020 18:18:14 +0200 Subject: Use longer names --- src/python/gudhi/point_cloud/dtm.py | 10 +++-- src/python/gudhi/point_cloud/knn.py | 2 +- src/python/test/test_dtm.py | 18 ++++----- src/python/test/test_knn.py | 76 +++++++++++++++++++++++++++---------- 4 files changed, 71 insertions(+), 35 deletions(-) (limited to 'src/python/test') diff --git a/src/python/gudhi/point_cloud/dtm.py b/src/python/gudhi/point_cloud/dtm.py index 23c36b88..38368f29 100644 --- a/src/python/gudhi/point_cloud/dtm.py +++ b/src/python/gudhi/point_cloud/dtm.py @@ -7,10 +7,10 @@ # Modification(s): # - YYYY/MM Author: Description of the modification -from .knn import KNN +from .knn import KNearestNeighbors -class DTM: +class DistanceToMeasure: """ Class to compute the distance to the empirical measure defined by a point set, as introduced in :cite:`dtm`. """ @@ -20,7 +20,7 @@ class DTM: Args: k (int): number of neighbors (possibly including the point itself). q (float): order used to compute the distance to measure. Defaults to 2. - kwargs: same parameters as :class:`~gudhi.point_cloud.knn.KNN`, except that metric="neighbors" means that :func:`transform` expects an array with the distances to the k nearest neighbors. + kwargs: same parameters as :class:`~gudhi.point_cloud.knn.KNearestNeighbors`, except that metric="neighbors" means that :func:`transform` expects an array with the distances to the k nearest neighbors. """ self.k = k self.q = q @@ -35,7 +35,9 @@ class DTM: X (numpy.array): coordinates for mass points. """ if self.params.setdefault("metric", "euclidean") != "neighbors": - self.knn = KNN(self.k, return_index=False, return_distance=True, sort_results=False, **self.params) + self.knn = KNearestNeighbors( + self.k, return_index=False, return_distance=True, sort_results=False, **self.params + ) self.knn.fit(X) return self diff --git a/src/python/gudhi/point_cloud/knn.py b/src/python/gudhi/point_cloud/knn.py index 8369f1f8..6642a3c2 100644 --- a/src/python/gudhi/point_cloud/knn.py +++ b/src/python/gudhi/point_cloud/knn.py @@ -10,7 +10,7 @@ import numpy -class KNN: +class KNearestNeighbors: """ Class wrapping several implementations for computing the k nearest neighbors in a point set. """ diff --git a/src/python/test/test_dtm.py b/src/python/test/test_dtm.py index 93b13e1a..37934fdb 100755 --- a/src/python/test/test_dtm.py +++ b/src/python/test/test_dtm.py @@ -8,7 +8,7 @@ - YYYY/MM Author: Description of the modification """ -from gudhi.point_cloud.dtm import DTM +from gudhi.point_cloud.dtm import DistanceToMeasure import numpy import pytest @@ -16,35 +16,35 @@ import pytest def test_dtm_compare_euclidean(): pts = numpy.random.rand(1000, 4) k = 3 - dtm = DTM(k, implementation="ckdtree") + dtm = DistanceToMeasure(k, implementation="ckdtree") r0 = dtm.fit_transform(pts) - dtm = DTM(k, implementation="sklearn") + dtm = DistanceToMeasure(k, implementation="sklearn") r1 = dtm.fit_transform(pts) assert r1 == pytest.approx(r0) - dtm = DTM(k, implementation="sklearn", algorithm="brute") + dtm = DistanceToMeasure(k, implementation="sklearn", algorithm="brute") r2 = dtm.fit_transform(pts) assert r2 == pytest.approx(r0) - dtm = DTM(k, implementation="hnsw") + dtm = DistanceToMeasure(k, implementation="hnsw") r3 = dtm.fit_transform(pts) assert r3 == pytest.approx(r0) from scipy.spatial.distance import cdist d = cdist(pts, pts) - dtm = DTM(k, metric="precomputed") + dtm = DistanceToMeasure(k, metric="precomputed") r4 = dtm.fit_transform(d) assert r4 == pytest.approx(r0) - dtm = DTM(k, implementation="keops") + dtm = DistanceToMeasure(k, implementation="keops") r5 = dtm.fit_transform(pts) assert r5 == pytest.approx(r0) def test_dtm_precomputed(): dist = numpy.array([[1.0, 3, 8], [1, 5, 5], [0, 2, 3]]) - dtm = DTM(2, q=1, metric="neighbors") + dtm = DistanceToMeasure(2, q=1, metric="neighbors") r = dtm.fit_transform(dist) assert r == pytest.approx([2.0, 3, 1]) dist = numpy.array([[2.0, 2], [0, 1], [3, 4]]) - dtm = DTM(2, q=2, metric="neighbors") + dtm = DistanceToMeasure(2, q=2, metric="neighbors") r = dtm.fit_transform(dist) assert r == pytest.approx([2.0, 0.707, 3.5355], rel=0.01) diff --git a/src/python/test/test_knn.py b/src/python/test/test_knn.py index e455fb48..6aac2006 100755 --- a/src/python/test/test_knn.py +++ b/src/python/test/test_knn.py @@ -8,7 +8,7 @@ - YYYY/MM Author: Description of the modification """ -from gudhi.point_cloud.knn import KNN +from gudhi.point_cloud.knn import KNearestNeighbors import numpy as np import pytest @@ -16,39 +16,39 @@ import pytest def test_knn_explicit(): base = np.array([[1.0, 1], [1, 2], [4, 2], [4, 3]]) query = np.array([[1.0, 1], [2, 2], [4, 4]]) - knn = KNN(2, metric="manhattan", return_distance=True, return_index=True) + knn = KNearestNeighbors(2, metric="manhattan", return_distance=True, return_index=True) knn.fit(base) r = knn.transform(query) assert r[0] == pytest.approx(np.array([[0, 1], [1, 0], [3, 2]])) assert r[1] == pytest.approx(np.array([[0.0, 1], [1, 2], [1, 2]])) - knn = KNN(2, metric="chebyshev", return_distance=True, return_index=False) + knn = KNearestNeighbors(2, metric="chebyshev", return_distance=True, return_index=False) knn.fit(base) r = knn.transform(query) assert r == pytest.approx(np.array([[0.0, 1], [1, 1], [1, 2]])) r = ( - KNN(2, metric="chebyshev", return_distance=True, return_index=False, implementation="keops") + KNearestNeighbors(2, metric="chebyshev", return_distance=True, return_index=False, implementation="keops") .fit(base) .transform(query) ) assert r == pytest.approx(np.array([[0.0, 1], [1, 1], [1, 2]])) - knn = KNN(2, metric="minkowski", p=3, return_distance=False, return_index=True) + knn = KNearestNeighbors(2, metric="minkowski", p=3, return_distance=False, return_index=True) knn.fit(base) r = knn.transform(query) assert np.array_equal(r, [[0, 1], [1, 0], [3, 2]]) r = ( - KNN(2, metric="minkowski", p=3, return_distance=False, return_index=True, implementation="keops") + KNearestNeighbors(2, metric="minkowski", p=3, return_distance=False, return_index=True, implementation="keops") .fit(base) .transform(query) ) assert np.array_equal(r, [[0, 1], [1, 0], [3, 2]]) dist = np.array([[0.0, 3, 8], [1, 0, 5], [1, 2, 0]]) - knn = KNN(2, metric="precomputed", return_index=True, return_distance=False) + knn = KNearestNeighbors(2, metric="precomputed", return_index=True, return_distance=False) r = knn.fit_transform(dist) assert np.array_equal(r, [[0, 1], [1, 0], [2, 0]]) - knn = KNN(2, metric="precomputed", return_index=True, return_distance=True) + knn = KNearestNeighbors(2, metric="precomputed", return_index=True, return_distance=True) r = knn.fit_transform(dist) assert np.array_equal(r[0], [[0, 1], [1, 0], [2, 0]]) assert np.array_equal(r[1], [[0, 3], [0, 1], [0, 1]]) @@ -57,16 +57,40 @@ def test_knn_explicit(): def test_knn_compare(): base = np.array([[1.0, 1], [1, 2], [4, 2], [4, 3]]) query = np.array([[1.0, 1], [2, 2], [4, 4]]) - r0 = KNN(2, implementation="ckdtree", return_index=True, return_distance=False).fit(base).transform(query) - r1 = KNN(2, implementation="sklearn", return_index=True, return_distance=False).fit(base).transform(query) - r2 = KNN(2, implementation="hnsw", return_index=True, return_distance=False).fit(base).transform(query) - r3 = KNN(2, implementation="keops", return_index=True, return_distance=False).fit(base).transform(query) + r0 = ( + KNearestNeighbors(2, implementation="ckdtree", return_index=True, return_distance=False) + .fit(base) + .transform(query) + ) + r1 = ( + KNearestNeighbors(2, implementation="sklearn", return_index=True, return_distance=False) + .fit(base) + .transform(query) + ) + r2 = ( + KNearestNeighbors(2, implementation="hnsw", return_index=True, return_distance=False).fit(base).transform(query) + ) + r3 = ( + KNearestNeighbors(2, implementation="keops", return_index=True, return_distance=False) + .fit(base) + .transform(query) + ) assert np.array_equal(r0, r1) and np.array_equal(r0, r2) and np.array_equal(r0, r3) - r0 = KNN(2, implementation="ckdtree", return_index=True, return_distance=True).fit(base).transform(query) - r1 = KNN(2, implementation="sklearn", return_index=True, return_distance=True).fit(base).transform(query) - r2 = KNN(2, implementation="hnsw", return_index=True, return_distance=True).fit(base).transform(query) - r3 = KNN(2, implementation="keops", return_index=True, return_distance=True).fit(base).transform(query) + r0 = ( + KNearestNeighbors(2, implementation="ckdtree", return_index=True, return_distance=True) + .fit(base) + .transform(query) + ) + r1 = ( + KNearestNeighbors(2, implementation="sklearn", return_index=True, return_distance=True) + .fit(base) + .transform(query) + ) + r2 = KNearestNeighbors(2, implementation="hnsw", return_index=True, return_distance=True).fit(base).transform(query) + r3 = ( + KNearestNeighbors(2, implementation="keops", return_index=True, return_distance=True).fit(base).transform(query) + ) assert np.array_equal(r0[0], r1[0]) and np.array_equal(r0[0], r2[0]) and np.array_equal(r0[0], r3[0]) d0 = pytest.approx(r0[1]) assert r1[1] == d0 and r2[1] == d0 and r3[1] == d0 @@ -75,8 +99,18 @@ def test_knn_compare(): def test_knn_nop(): # This doesn't look super useful... p = np.array([[0.0]]) - assert None is KNN(k=1, return_index=False, return_distance=False, implementation="sklearn").fit_transform(p) - assert None is KNN(k=1, return_index=False, return_distance=False, implementation="ckdtree").fit_transform(p) - assert None is KNN(k=1, return_index=False, return_distance=False, implementation="hnsw", ef=5).fit_transform(p) - assert None is KNN(k=1, return_index=False, return_distance=False, implementation="keops").fit_transform(p) - assert None is KNN(k=1, return_index=False, return_distance=False, metric="precomputed").fit_transform(p) + assert None is KNearestNeighbors( + k=1, return_index=False, return_distance=False, implementation="sklearn" + ).fit_transform(p) + assert None is KNearestNeighbors( + k=1, return_index=False, return_distance=False, implementation="ckdtree" + ).fit_transform(p) + assert None is KNearestNeighbors( + k=1, return_index=False, return_distance=False, implementation="hnsw", ef=5 + ).fit_transform(p) + assert None is KNearestNeighbors( + k=1, return_index=False, return_distance=False, implementation="keops" + ).fit_transform(p) + assert None is KNearestNeighbors( + k=1, return_index=False, return_distance=False, metric="precomputed" + ).fit_transform(p) -- cgit v1.2.3 From 83a1bc1fb6124a35d515f4836d2e830f3dbdf0e7 Mon Sep 17 00:00:00 2001 From: Marc Glisse Date: Sun, 12 Apr 2020 21:57:51 +0200 Subject: Parallelize the "precomputed" case of knn It is supposed to be possible to compile numpy with openmp, but it looks like it isn't done in any of the usual packages. It may be possible to refactor that code so there is less redundancy. --- src/python/gudhi/point_cloud/knn.py | 78 +++++++++++++++++++++++++++++-------- src/python/test/test_dtm.py | 3 ++ src/python/test/test_knn.py | 8 ++++ 3 files changed, 73 insertions(+), 16 deletions(-) (limited to 'src/python/test') diff --git a/src/python/gudhi/point_cloud/knn.py b/src/python/gudhi/point_cloud/knn.py index 6642a3c2..f6870517 100644 --- a/src/python/gudhi/point_cloud/knn.py +++ b/src/python/gudhi/point_cloud/knn.py @@ -115,25 +115,71 @@ class KNearestNeighbors: if metric == "precomputed": # scikit-learn could handle that, but they insist on calling fit() with an unused square array, which is too unnatural. - X = numpy.array(X) if self.return_index: - neighbors = numpy.argpartition(X, k - 1)[:, 0:k] - if self.params.get("sort_results", True): - X = numpy.take_along_axis(X, neighbors, axis=-1) - ngb_order = numpy.argsort(X, axis=-1) - neighbors = numpy.take_along_axis(neighbors, ngb_order, axis=-1) + n_jobs = self.params.get("n_jobs", 1) + # Supposedly numpy can be compiled with OpenMP and handle this, but nobody does that?! + if n_jobs == 1: + neighbors = numpy.argpartition(X, k - 1)[:, 0:k] + if self.params.get("sort_results", True): + X = numpy.take_along_axis(X, neighbors, axis=-1) + ngb_order = numpy.argsort(X, axis=-1) + neighbors = numpy.take_along_axis(neighbors, ngb_order, axis=-1) + else: + ngb_order = neighbors + if self.return_distance: + distances = numpy.take_along_axis(X, ngb_order, axis=-1) + return neighbors, distances + else: + return neighbors else: - ngb_order = neighbors - if self.return_distance: - distances = numpy.take_along_axis(X, ngb_order, axis=-1) - return neighbors, distances - else: - return neighbors + from joblib import Parallel, delayed, effective_n_jobs + from sklearn.utils import gen_even_slices + + slices = gen_even_slices(len(X), effective_n_jobs(-1)) + parallel = Parallel(backend="threading", n_jobs=-1) + if self.params.get("sort_results", True): + + def func(M): + neighbors = numpy.argpartition(M, k - 1)[:, 0:k] + Y = numpy.take_along_axis(M, neighbors, axis=-1) + ngb_order = numpy.argsort(Y, axis=-1) + return numpy.take_along_axis(neighbors, ngb_order, axis=-1) + + else: + + def func(M): + return numpy.argpartition(M, k - 1)[:, 0:k] + + neighbors = numpy.concatenate(parallel(delayed(func)(X[s]) for s in slices)) + if self.return_distance: + distances = numpy.take_along_axis(X, neighbors, axis=-1) + return neighbors, distances + else: + return neighbors if self.return_distance: - distances = numpy.partition(X, k - 1)[:, 0:k] - if self.params.get("sort_results"): - # partition is not guaranteed to sort the lower half, although it often does - distances.sort(axis=-1) + n_jobs = self.params.get("n_jobs", 1) + if n_jobs == 1: + distances = numpy.partition(X, k - 1)[:, 0:k] + if self.params.get("sort_results"): + # partition is not guaranteed to sort the lower half, although it often does + distances.sort(axis=-1) + else: + from joblib import Parallel, delayed, effective_n_jobs + from sklearn.utils import gen_even_slices + + if self.params.get("sort_results"): + + def func(M): + # Not partitioning in place, because we should not modify the user's array? + r = numpy.partition(M, k - 1)[:, 0:k] + r.sort(axis=-1) + return r + + else: + func = lambda M: numpy.partition(M, k - 1)[:, 0:k] + slices = gen_even_slices(len(X), effective_n_jobs(-1)) + parallel = Parallel(backend="threading", n_jobs=-1) + distances = numpy.concatenate(parallel(delayed(func)(X[s]) for s in slices)) return distances return None diff --git a/src/python/test/test_dtm.py b/src/python/test/test_dtm.py index 37934fdb..bc0d3698 100755 --- a/src/python/test/test_dtm.py +++ b/src/python/test/test_dtm.py @@ -33,6 +33,9 @@ def test_dtm_compare_euclidean(): dtm = DistanceToMeasure(k, metric="precomputed") r4 = dtm.fit_transform(d) assert r4 == pytest.approx(r0) + dtm = DistanceToMeasure(k, metric="precomputed", n_jobs=2) + r4b = dtm.fit_transform(d) + assert r4b == pytest.approx(r0) dtm = DistanceToMeasure(k, implementation="keops") r5 = dtm.fit_transform(pts) assert r5 == pytest.approx(r0) diff --git a/src/python/test/test_knn.py b/src/python/test/test_knn.py index 6aac2006..6269df54 100755 --- a/src/python/test/test_knn.py +++ b/src/python/test/test_knn.py @@ -52,6 +52,14 @@ def test_knn_explicit(): r = knn.fit_transform(dist) assert np.array_equal(r[0], [[0, 1], [1, 0], [2, 0]]) assert np.array_equal(r[1], [[0, 3], [0, 1], [0, 1]]) + # Second time in parallel + knn = KNearestNeighbors(2, metric="precomputed", return_index=True, return_distance=False, n_jobs=2) + r = knn.fit_transform(dist) + assert np.array_equal(r, [[0, 1], [1, 0], [2, 0]]) + knn = KNearestNeighbors(2, metric="precomputed", return_index=True, return_distance=True, n_jobs=2) + r = knn.fit_transform(dist) + assert np.array_equal(r[0], [[0, 1], [1, 0], [2, 0]]) + assert np.array_equal(r[1], [[0, 3], [0, 1], [0, 1]]) def test_knn_compare(): -- cgit v1.2.3 From 280eb9d2323837619db1ae013b929adb9b45013b Mon Sep 17 00:00:00 2001 From: Marc Glisse Date: Mon, 13 Apr 2020 01:09:45 +0200 Subject: enable_autodiff with keops This doesn't seem like the best way to handle it, we may want to handle it like a wrapper that gets the indices from knn (whatever backend) and then computes the distances. --- src/python/gudhi/point_cloud/knn.py | 33 +++++++++++++++++++++++++++++---- src/python/test/test_dtm.py | 8 ++++++++ src/python/test/test_knn.py | 6 ++++++ 3 files changed, 43 insertions(+), 4 deletions(-) (limited to 'src/python/test') diff --git a/src/python/gudhi/point_cloud/knn.py b/src/python/gudhi/point_cloud/knn.py index f6870517..79362c09 100644 --- a/src/python/gudhi/point_cloud/knn.py +++ b/src/python/gudhi/point_cloud/knn.py @@ -36,6 +36,9 @@ class KNearestNeighbors: sort_results (bool): if True, then distances and indices of each point are sorted on return, so that the first column contains the closest points. Otherwise, neighbors are returned in an arbitrary order. Defaults to True. + enable_autodiff (bool): if the input is a torch.tensor, jax.numpy.array or similar, this instructs + the function to compute distances in a way that works with automatic differentiation. + This is experimental and not supported for all implementations. kwargs: additional parameters are forwarded to the backends. """ self.k = k @@ -202,13 +205,18 @@ class KNearestNeighbors: if self.params["implementation"] == "keops": import torch from pykeops.torch import LazyTensor + import eagerpy as ep # 'float64' is slow except on super expensive GPUs. Allow it with some param? - XX = torch.tensor(X, dtype=torch.float32) - if X is self.ref_points: + queries = X + X = ep.astensor(X) + XX = torch.as_tensor(X.numpy(), dtype=torch.float32) + if queries is self.ref_points: + Y = X YY = XX else: - YY = torch.tensor(self.ref_points, dtype=torch.float32) + Y = ep.astensor(self.ref_points) + YY = torch.as_tensor(Y.numpy(), dtype=torch.float32) p = self.params["p"] if p == numpy.inf: @@ -219,6 +227,24 @@ class KNearestNeighbors: else: mat = ((LazyTensor(XX[:, None, :]) - LazyTensor(YY[None, :, :])).abs() ** p).sum(-1) + # pykeops does not support autodiff for kmin yet :-( + if self.params.get("enable_autodiff", False) and self.return_distance: + # Compute the indices of the neighbors, and recompute the relevant distances autodiff-friendly. + # Another strategy would be to compute the whole distance matrix with torch.cdist + # and use neighbors as indices into it. + neighbors = ep.astensor(mat.argKmin(k, dim=1)).numpy() + neighbor_pts = Y[neighbors] + diff = neighbor_pts - X[:, None, :] + if p == numpy.inf: + distances = diff.abs().max(-1) + elif p == 2: + distances = (diff ** 2).sum(-1) ** 0.5 + else: + distances = (diff.abs() ** p).sum(-1) ** (1.0 / p) + if self.return_index: + return neighbors.raw, distances.raw + else: + return distances.raw if self.return_index: if self.return_distance: distances, neighbors = mat.Kmin_argKmin(k, dim=1) @@ -234,7 +260,6 @@ class KNearestNeighbors: distances = distances ** (1.0 / p) return distances return None - # FIXME: convert everything back to numpy arrays or not? if self.params["implementation"] == "ckdtree": qargs = {key: val for key, val in self.params.items() if key in {"p", "eps", "n_jobs"}} diff --git a/src/python/test/test_dtm.py b/src/python/test/test_dtm.py index bc0d3698..8709dd07 100755 --- a/src/python/test/test_dtm.py +++ b/src/python/test/test_dtm.py @@ -11,6 +11,7 @@ from gudhi.point_cloud.dtm import DistanceToMeasure import numpy import pytest +import torch def test_dtm_compare_euclidean(): @@ -39,6 +40,13 @@ def test_dtm_compare_euclidean(): dtm = DistanceToMeasure(k, implementation="keops") r5 = dtm.fit_transform(pts) assert r5 == pytest.approx(r0) + pts2 = torch.tensor(pts, requires_grad=True) + assert pts2.grad is None + dtm = DistanceToMeasure(k, implementation="keops", enable_autodiff=True) + r6 = dtm.fit_transform(pts2) + assert r6.detach().numpy() == pytest.approx(r0) + r6.sum().backward() + assert pts2.grad is not None def test_dtm_precomputed(): diff --git a/src/python/test/test_knn.py b/src/python/test/test_knn.py index 6269df54..415c9d48 100755 --- a/src/python/test/test_knn.py +++ b/src/python/test/test_knn.py @@ -32,6 +32,12 @@ def test_knn_explicit(): .transform(query) ) assert r == pytest.approx(np.array([[0.0, 1], [1, 1], [1, 2]])) + r = ( + KNearestNeighbors(2, metric="chebyshev", return_distance=True, return_index=False, implementation="keops", enable_autodiff=True) + .fit(base) + .transform(query) + ) + assert r == pytest.approx(np.array([[0.0, 1], [1, 1], [1, 2]])) knn = KNearestNeighbors(2, metric="minkowski", p=3, return_distance=False, return_index=True) knn.fit(base) -- cgit v1.2.3 From f0c5aab988ee966510503a30b0591105594ac67d Mon Sep 17 00:00:00 2001 From: Marc Glisse Date: Tue, 14 Apr 2020 15:37:31 +0200 Subject: More testing --- src/python/test/test_dtm.py | 7 +++++++ 1 file changed, 7 insertions(+) (limited to 'src/python/test') diff --git a/src/python/test/test_dtm.py b/src/python/test/test_dtm.py index 8709dd07..db3e5df5 100755 --- a/src/python/test/test_dtm.py +++ b/src/python/test/test_dtm.py @@ -47,6 +47,13 @@ def test_dtm_compare_euclidean(): assert r6.detach().numpy() == pytest.approx(r0) r6.sum().backward() assert pts2.grad is not None + pts2 = torch.tensor(pts, requires_grad=True) + assert pts2.grad is None + dtm = DistanceToMeasure(k, implementation="ckdtree", enable_autodiff=True) + r7 = dtm.fit_transform(pts2) + assert r7.detach().numpy() == pytest.approx(r0) + r7.sum().backward() + assert pts2.grad is not None def test_dtm_precomputed(): -- cgit v1.2.3 From acb9d5b9d1317d3d8168bc3ac46860d078abba84 Mon Sep 17 00:00:00 2001 From: Marc Glisse Date: Tue, 14 Apr 2020 20:30:29 +0200 Subject: Check that the gradient is not NaN This can easily happen with pytorch, and there is special code to avoid it. --- src/python/test/test_dtm.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) (limited to 'src/python/test') diff --git a/src/python/test/test_dtm.py b/src/python/test/test_dtm.py index db3e5df5..de74c42b 100755 --- a/src/python/test/test_dtm.py +++ b/src/python/test/test_dtm.py @@ -46,14 +46,14 @@ def test_dtm_compare_euclidean(): r6 = dtm.fit_transform(pts2) assert r6.detach().numpy() == pytest.approx(r0) r6.sum().backward() - assert pts2.grad is not None + assert pts2.grad is not None and not torch.isnan(pts2.grad).any() pts2 = torch.tensor(pts, requires_grad=True) assert pts2.grad is None dtm = DistanceToMeasure(k, implementation="ckdtree", enable_autodiff=True) r7 = dtm.fit_transform(pts2) assert r7.detach().numpy() == pytest.approx(r0) r7.sum().backward() - assert pts2.grad is not None + assert pts2.grad is not None and not torch.isnan(pts2.grad).any() def test_dtm_precomputed(): -- cgit v1.2.3 From 8d9611206603f4f7506fe77a0273c73c9d67716b Mon Sep 17 00:00:00 2001 From: Marc Glisse Date: Sun, 19 Apr 2020 12:30:35 +0200 Subject: Drop redundant test torch.isnan(None) raises an exception anyway --- src/python/test/test_dtm.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) (limited to 'src/python/test') diff --git a/src/python/test/test_dtm.py b/src/python/test/test_dtm.py index de74c42b..859189fa 100755 --- a/src/python/test/test_dtm.py +++ b/src/python/test/test_dtm.py @@ -46,14 +46,14 @@ def test_dtm_compare_euclidean(): r6 = dtm.fit_transform(pts2) assert r6.detach().numpy() == pytest.approx(r0) r6.sum().backward() - assert pts2.grad is not None and not torch.isnan(pts2.grad).any() + assert not torch.isnan(pts2.grad).any() pts2 = torch.tensor(pts, requires_grad=True) assert pts2.grad is None dtm = DistanceToMeasure(k, implementation="ckdtree", enable_autodiff=True) r7 = dtm.fit_transform(pts2) assert r7.detach().numpy() == pytest.approx(r0) r7.sum().backward() - assert pts2.grad is not None and not torch.isnan(pts2.grad).any() + assert not torch.isnan(pts2.grad).any() def test_dtm_precomputed(): -- cgit v1.2.3 From 3a9105e0d3bea5cc64610b7c0c3fb15f0e00bb9d Mon Sep 17 00:00:00 2001 From: Marc Glisse Date: Mon, 20 Apr 2020 11:37:44 +0200 Subject: Reintroduce _proj_on_diag, with a unit test --- src/python/gudhi/wasserstein/wasserstein.py | 11 +++++++++++ src/python/test/test_wasserstein_distance.py | 7 +++++++ 2 files changed, 18 insertions(+) (limited to 'src/python/test') diff --git a/src/python/gudhi/wasserstein/wasserstein.py b/src/python/gudhi/wasserstein/wasserstein.py index 5df66cf9..efc851a0 100644 --- a/src/python/gudhi/wasserstein/wasserstein.py +++ b/src/python/gudhi/wasserstein/wasserstein.py @@ -15,6 +15,17 @@ try: except ImportError: print("POT (Python Optimal Transport) package is not installed. Try to run $ conda install -c conda-forge pot ; or $ pip install POT") + +# Currently unused, but Théo says it is likely to be used again. +def _proj_on_diag(X): + ''' + :param X: (n x 2) array encoding the points of a persistent diagram. + :returns: (n x 2) array encoding the (respective orthogonal) projections of the points onto the diagonal + ''' + Z = (X[:,0] + X[:,1]) / 2. + return np.array([Z , Z]).T + + def _dist_to_diag(X, internal_p): ''' :param X: (n x 2) array encoding the points of a persistent diagram. diff --git a/src/python/test/test_wasserstein_distance.py b/src/python/test/test_wasserstein_distance.py index 7e0d0f5f..1a4acc1d 100755 --- a/src/python/test/test_wasserstein_distance.py +++ b/src/python/test/test_wasserstein_distance.py @@ -8,6 +8,7 @@ - YYYY/MM Author: Description of the modification """ +from gudhi.wasserstein.wasserstein import _proj_on_diag from gudhi.wasserstein import wasserstein_distance as pot from gudhi.hera import wasserstein_distance as hera import numpy as np @@ -17,6 +18,12 @@ __author__ = "Theo Lacombe" __copyright__ = "Copyright (C) 2019 Inria" __license__ = "MIT" +def test_proj_on_diag(): + dgm = np.array([[1., 1.], [1., 2.], [3., 5.]]) + assert np.array_equal(_proj_on_diag(dgm), [[1., 1.], [1.5, 1.5], [4., 4.]]) + empty = np.empty((0, 2)) + assert np.array_equal(_proj_on_diag(empty), empty) + def _basic_wasserstein(wasserstein_distance, delta, test_infinity=True, test_matching=True): diag1 = np.array([[2.7, 3.7], [9.6, 14.0], [34.2, 34.974]]) diag2 = np.array([[2.8, 4.45], [9.5, 14.1]]) -- cgit v1.2.3 From 9ef7ba65367ab2ff92bf66b1b8166c5990530b76 Mon Sep 17 00:00:00 2001 From: Marc Glisse Date: Mon, 20 Apr 2020 12:16:15 +0200 Subject: Explicitly pass sort_results=True on some tests --- src/python/test/test_knn.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) (limited to 'src/python/test') diff --git a/src/python/test/test_knn.py b/src/python/test/test_knn.py index 415c9d48..a87ec212 100755 --- a/src/python/test/test_knn.py +++ b/src/python/test/test_knn.py @@ -54,12 +54,12 @@ def test_knn_explicit(): knn = KNearestNeighbors(2, metric="precomputed", return_index=True, return_distance=False) r = knn.fit_transform(dist) assert np.array_equal(r, [[0, 1], [1, 0], [2, 0]]) - knn = KNearestNeighbors(2, metric="precomputed", return_index=True, return_distance=True) + knn = KNearestNeighbors(2, metric="precomputed", return_index=True, return_distance=True, sort_results=True) r = knn.fit_transform(dist) assert np.array_equal(r[0], [[0, 1], [1, 0], [2, 0]]) assert np.array_equal(r[1], [[0, 3], [0, 1], [0, 1]]) # Second time in parallel - knn = KNearestNeighbors(2, metric="precomputed", return_index=True, return_distance=False, n_jobs=2) + knn = KNearestNeighbors(2, metric="precomputed", return_index=True, return_distance=False, n_jobs=2, sort_results=True) r = knn.fit_transform(dist) assert np.array_equal(r, [[0, 1], [1, 0], [2, 0]]) knn = KNearestNeighbors(2, metric="precomputed", return_index=True, return_distance=True, n_jobs=2) -- cgit v1.2.3