From 4206a06c94b5d63f6bed6c1dd27edd2cc449c199 Mon Sep 17 00:00:00 2001 From: Bas Nijholt Date: Tue, 30 Sep 2025 16:23:23 -0700 Subject: [PATCH 1/3] Handle duplicate convex hull points when resuming LearnerND --- adaptive/learner/learnerND.py | 43 +- adaptive/tests/data/issue_470_boundaries.json | 1 + .../tests/data/issue_470_sampled_points.csv | 2012 +++++++++++++++++ .../tests/unit/test_learnernd_integration.py | 31 + 4 files changed, 2077 insertions(+), 10 deletions(-) create mode 100644 adaptive/tests/data/issue_470_boundaries.json create mode 100644 adaptive/tests/data/issue_470_sampled_points.csv diff --git a/adaptive/learner/learnerND.py b/adaptive/learner/learnerND.py index 33bbbbb07..320d9df1e 100644 --- a/adaptive/learner/learnerND.py +++ b/adaptive/learner/learnerND.py @@ -376,6 +376,7 @@ def __init__(self, func, bounds, loss_per_simplex=None): # been returned has not been deleted. This checking is done by # _pop_highest_existing_simplex self._simplex_queue = SortedKeyList(key=_simplex_evaluation_priority) + self._skipped_bound_points: set[tuple[float, ...]] = set() def new(self) -> LearnerND: """Create a new learner with the same function and bounds.""" @@ -602,7 +603,12 @@ def _try_adding_pending_point_to_simplex(self, point, simplex): self._subtriangulations[simplex] = Triangulation(vertices) self._pending_to_simplex[point] = simplex - return self._subtriangulations[simplex].add_point(point) + try: + return self._subtriangulations[simplex].add_point(point) + except ValueError as exc: + if str(exc) == "Point already in triangulation.": + self._pending_to_simplex.pop(point, None) + raise def _update_subsimplex_losses(self, simplex, new_subsimplices): loss = self._losses[simplex] @@ -627,13 +633,23 @@ def ask(self, n, tell_pending=True): def _ask_bound_point(self): # get the next bound point that is still available - new_point = next( - p - for p in self._bounds_points - if p not in self.data and p not in self.pending_points - ) - self.tell_pending(new_point) - return new_point, np.inf + while True: + new_point = next( + p + for p in self._bounds_points + if p not in self.data + and p not in self.pending_points + and p not in self._skipped_bound_points + ) + try: + self.tell_pending(new_point) + except ValueError as exc: + if str(exc) == "Point already in triangulation.": + self.pending_points.discard(new_point) + self._skipped_bound_points.add(new_point) + continue + raise + return new_point, np.inf def _ask_point_without_known_simplices(self): assert not self._bounds_available @@ -699,13 +715,20 @@ def _ask_best_point(self): @property def _bounds_available(self): return any( - (p not in self.pending_points and p not in self.data) + ( + p not in self.pending_points + and p not in self.data + and p not in self._skipped_bound_points + ) for p in self._bounds_points ) def _ask(self): if self._bounds_available: - return self._ask_bound_point() # O(1) + try: + return self._ask_bound_point() # O(1) + except StopIteration: + pass if self.tri is None: # All bound points are pending or have been evaluated, but we do not diff --git a/adaptive/tests/data/issue_470_boundaries.json b/adaptive/tests/data/issue_470_boundaries.json new file mode 100644 index 000000000..19d5e9ac5 --- /dev/null +++ b/adaptive/tests/data/issue_470_boundaries.json @@ -0,0 +1 @@ +[[0.0, 0.0], [100.0, 1.115142836310296e-06], [200.0, 2.230285672620592e-06], [300.0, 3.3454285089308886e-06], [400.0, 4.460571345241184e-06], [500.0, 5.57571418155148e-06], [600.0, 6.690857017861777e-06], [700.0, 7.805999854172073e-06], [800.0, 8.921142690482368e-06], [900.0, 1.0036285526792665e-05], [1000.0, 1.115142836310296e-05], [1100.0, 1.2266571199413256e-05], [1200.0, 1.3381714035723556e-05], [1300.0, 1.449685687203385e-05], [1400.0, 1.5611999708344146e-05], [1500.0, 1.6727142544654443e-05], [1600.0, 1.7842285380964736e-05], [1700.0, 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import ConvexHull from adaptive.learner import LearnerND +from adaptive.learner.learner1D import with_pandas from adaptive.learner.learnerND import curvature_loss_function from adaptive.runner import BlockingRunner from adaptive.runner import simple as SimpleRunner @@ -53,3 +58,29 @@ def test_learnerND_log_works(): learner.ask(2) # At this point, there should! be one simplex in the triangulation, # furthermore the last two points that were asked should be in this simplex + + +@pytest.mark.skipif(not with_pandas, reason="pandas is not installed") +def test_learnerND_resume_after_loading_dataframe_convex_hull(): + import pandas + + data_dir = Path(__file__).resolve().parent.parent / "data" + df = pandas.read_csv(data_dir / "issue_470_sampled_points.csv", sep=";") + boundaries = json.loads((data_dir / "issue_470_boundaries.json").read_text()) + hull = ConvexHull(boundaries) + + def some_f(xy): + x, y = xy + a = 0.2 + return x + np.exp(-((x**2 + y**2 - 0.75**2) ** 2) / a**4) + + learner = LearnerND(some_f, hull) + learner.load_dataframe( + df, + with_default_function_args=False, + point_names=("x", "y"), + ) + + target = len(df) + 10 + BlockingRunner(learner, npoints_goal=target) + assert learner.npoints >= target From 95cf36e7dadbade7714a51862ffdd83f8930129e Mon Sep 17 00:00:00 2001 From: Bas Nijholt Date: Tue, 30 Sep 2025 17:18:26 -0700 Subject: [PATCH 2/3] Canonicalise LearnerND hull seeding and add regression test --- adaptive/learner/learnerND.py | 64 +- adaptive/tests/data/issue_470_boundaries.json | 1 - .../tests/data/issue_470_sampled_points.csv | 2012 ----------------- .../tests/unit/test_learnernd_integration.py | 68 +- 4 files changed, 92 insertions(+), 2053 deletions(-) delete mode 100644 adaptive/tests/data/issue_470_boundaries.json delete mode 100644 adaptive/tests/data/issue_470_sampled_points.csv diff --git a/adaptive/learner/learnerND.py b/adaptive/learner/learnerND.py index 320d9df1e..3a286be77 100644 --- a/adaptive/learner/learnerND.py +++ b/adaptive/learner/learnerND.py @@ -376,7 +376,8 @@ def __init__(self, func, bounds, loss_per_simplex=None): # been returned has not been deleted. This checking is done by # _pop_highest_existing_simplex self._simplex_queue = SortedKeyList(key=_simplex_evaluation_priority) - self._skipped_bound_points: set[tuple[float, ...]] = set() + self._next_bound_idx = 0 + self._bound_match_tol = 1e-10 def new(self) -> LearnerND: """Create a new learner with the same function and bounds.""" @@ -489,6 +490,7 @@ def load_dataframe( # type: ignore[override] self.function = partial_function_from_dataframe( self.function, df, function_prefix ) + self._next_bound_idx = 0 @property def bounds_are_done(self): @@ -556,6 +558,27 @@ def _simplex_exists(self, simplex): simplex = tuple(sorted(simplex)) return simplex in self.tri.simplices + def _is_known_point(self, point): + point = tuple(map(float, point)) + if point in self.data or point in self.pending_points: + return True + + tolerances = [ + max(self._bound_match_tol, self._bound_match_tol * (hi - lo)) + for lo, hi in self._bbox + ] + + def _close(other): + return all(abs(a - b) <= tol for (a, b, tol) in zip(point, other, tolerances)) + + for existing in self.data.keys(): + if _close(existing): + return True + for existing in self.pending_points: + if _close(existing): + return True + return False + def inside_bounds(self, point): """Check whether a point is inside the bounds.""" if self._interior is not None: @@ -633,24 +656,18 @@ def ask(self, n, tell_pending=True): def _ask_bound_point(self): # get the next bound point that is still available - while True: - new_point = next( - p - for p in self._bounds_points - if p not in self.data - and p not in self.pending_points - and p not in self._skipped_bound_points - ) - try: - self.tell_pending(new_point) - except ValueError as exc: - if str(exc) == "Point already in triangulation.": - self.pending_points.discard(new_point) - self._skipped_bound_points.add(new_point) - continue - raise + while self._next_bound_idx < len(self._bounds_points): + new_point = self._bounds_points[self._next_bound_idx] + self._next_bound_idx += 1 + + if self._is_known_point(new_point): + continue + + self.tell_pending(new_point) return new_point, np.inf + raise StopIteration + def _ask_point_without_known_simplices(self): assert not self._bounds_available # pick a random point inside the bounds @@ -715,20 +732,13 @@ def _ask_best_point(self): @property def _bounds_available(self): return any( - ( - p not in self.pending_points - and p not in self.data - and p not in self._skipped_bound_points - ) - for p in self._bounds_points + not self._is_known_point(p) + for p in self._bounds_points[self._next_bound_idx :] ) def _ask(self): if self._bounds_available: - try: - return self._ask_bound_point() # O(1) - except StopIteration: - pass + return self._ask_bound_point() # O(1) if self.tri is None: # All bound points are pending or have been evaluated, but we do not diff --git a/adaptive/tests/data/issue_470_boundaries.json b/adaptive/tests/data/issue_470_boundaries.json deleted file mode 100644 index 19d5e9ac5..000000000 --- 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-4967.728390542329;1043.3138076755347;20.665032872680143 diff --git a/adaptive/tests/unit/test_learnernd_integration.py b/adaptive/tests/unit/test_learnernd_integration.py index 4c79352e5..1ce742976 100644 --- a/adaptive/tests/unit/test_learnernd_integration.py +++ b/adaptive/tests/unit/test_learnernd_integration.py @@ -1,9 +1,7 @@ -import json import math -from pathlib import Path -import numpy as np import pytest +import numpy as np from scipy.spatial import ConvexHull from adaptive.learner import LearnerND @@ -61,26 +59,70 @@ def test_learnerND_log_works(): @pytest.mark.skipif(not with_pandas, reason="pandas is not installed") -def test_learnerND_resume_after_loading_dataframe_convex_hull(): +def test_learnerND_resume_after_loading_dataframe_convex_hull(monkeypatch): import pandas - - data_dir = Path(__file__).resolve().parent.parent / "data" - df = pandas.read_csv(data_dir / "issue_470_sampled_points.csv", sep=";") - boundaries = json.loads((data_dir / "issue_470_boundaries.json").read_text()) - hull = ConvexHull(boundaries) + from types import MethodType + + hull_points = [ + (4.375872112626925, 8.917730007820797), + (4.236547993389047, 6.458941130666561), + (6.027633760716439, 5.448831829968968), + (9.636627605010293, 3.8344151882577773), + ] + + data_points = [ + (4.375872112626925, 8.917730007820797), + (4.236547993389047, 6.458941130666561), + (6.027633760716439, 5.448831829968968), + (9.636627605086398, 3.834415188269945), + (0.7103605819788694, 0.8712929970154071), + (0.2021839744032572, 8.32619845547938), + (7.781567509498505, 8.700121482468191), + ] + + df = pandas.DataFrame(data_points, columns=["x", "y"]) + df["value"] = df["x"] + df["y"] + + hull = ConvexHull(hull_points) def some_f(xy): - x, y = xy - a = 0.2 - return x + np.exp(-((x**2 + y**2 - 0.75**2) ** 2) / a**4) + return xy[0] + xy[1] + + learner_old = LearnerND(some_f, hull) + learner_old.load_dataframe( + df, + with_default_function_args=False, + point_names=("x", "y"), + value_name="value", + ) + + def old_ask_bound_point(self): + new_point = next( + p for p in self._bounds_points if p not in self.data and p not in self.pending_points + ) + self.tell_pending(new_point) + return new_point, np.inf + + learner_old._ask_bound_point = MethodType(old_ask_bound_point, learner_old) + + def naive_is_known_point(self, point): + point = tuple(map(float, point)) + return point in self.data or point in self.pending_points + + learner_old._is_known_point = MethodType(naive_is_known_point, learner_old) + learner_old._bound_match_tol = 0.0 + + with pytest.raises(ValueError): + BlockingRunner(learner_old, npoints_goal=len(df) + 1) learner = LearnerND(some_f, hull) learner.load_dataframe( df, with_default_function_args=False, point_names=("x", "y"), + value_name="value", ) - target = len(df) + 10 + target = len(df) + 1 BlockingRunner(learner, npoints_goal=target) assert learner.npoints >= target From cf12afbcb160f4bed538cb13fe596c8a36927bb4 Mon Sep 17 00:00:00 2001 From: Bas Nijholt Date: Tue, 30 Sep 2025 17:45:03 -0700 Subject: [PATCH 3/3] run pre-commit --- adaptive/learner/learnerND.py | 4 +++- adaptive/tests/unit/test_learnernd_integration.py | 9 ++++++--- 2 files changed, 9 insertions(+), 4 deletions(-) diff --git a/adaptive/learner/learnerND.py b/adaptive/learner/learnerND.py index 3a286be77..1e3e2f0d5 100644 --- a/adaptive/learner/learnerND.py +++ b/adaptive/learner/learnerND.py @@ -569,7 +569,9 @@ def _is_known_point(self, point): ] def _close(other): - return all(abs(a - b) <= tol for (a, b, tol) in zip(point, other, tolerances)) + return all( + abs(a - b) <= tol for (a, b, tol) in zip(point, other, tolerances) + ) for existing in self.data.keys(): if _close(existing): diff --git a/adaptive/tests/unit/test_learnernd_integration.py b/adaptive/tests/unit/test_learnernd_integration.py index 1ce742976..fe7c64919 100644 --- a/adaptive/tests/unit/test_learnernd_integration.py +++ b/adaptive/tests/unit/test_learnernd_integration.py @@ -1,7 +1,7 @@ import math -import pytest import numpy as np +import pytest from scipy.spatial import ConvexHull from adaptive.learner import LearnerND @@ -60,9 +60,10 @@ def test_learnerND_log_works(): @pytest.mark.skipif(not with_pandas, reason="pandas is not installed") def test_learnerND_resume_after_loading_dataframe_convex_hull(monkeypatch): - import pandas from types import MethodType + import pandas + hull_points = [ (4.375872112626925, 8.917730007820797), (4.236547993389047, 6.458941130666561), @@ -98,7 +99,9 @@ def some_f(xy): def old_ask_bound_point(self): new_point = next( - p for p in self._bounds_points if p not in self.data and p not in self.pending_points + p + for p in self._bounds_points + if p not in self.data and p not in self.pending_points ) self.tell_pending(new_point) return new_point, np.inf