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0.3.4 ... 0.5.0

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3dca288177 chore(release): 0.5.0
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2022-04-30 11:19:38 -05:00
bd0b375751 Merge pull request 'betterparallel' (#7) from betterparallel into master
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Reviewed-on: #7
2022-04-30 16:15:01 +00:00
0fabd8f7fb Merge branch 'master' into betterparallel
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2022-04-30 16:10:15 +00:00
3ea3d1dc56 Merge pull request 'chore(deps): update dependency mypy to ^0.950' (#6) from renovate/mypy-0.x into master
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Reviewed-on: #6
2022-04-30 16:08:57 +00:00
edf0ba6532 feat: has better parallelisation
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2022-04-30 10:36:10 -05:00
a487309549 chore(deps): update dependency mypy to ^0.950
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2022-04-28 01:31:10 +00:00
42829c0327 fix: better parallelisation hopefully
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2022-04-24 12:13:10 -05:00
349341b405 fix: Uses correct filename arg for passed in rng
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2022-04-18 16:00:19 -05:00
50dbc4835e feat!: simulpairs now uses different rng calculator 2022-04-18 12:04:30 -05:00
0954429e2d fix: stronger names 2022-04-16 13:11:08 -05:00
4c06b3912c fix: uses correct filename for pairs guy
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2022-04-16 13:04:39 -05:00
5684af783e fmt: Adds newlines to make fmt idempotent 2022-04-16 13:04:11 -05:00
f00b29391c style: run doo fmt
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2022-04-16 12:55:52 -05:00
492a5e6681 fix: Makes altbayessimulpairs available in package 2022-04-16 12:55:29 -05:00
e9277c3da7 feat: adds simulpairs run 2022-04-16 12:54:30 -05:00
1e2657adad chore: adds doo fmt 2022-04-16 12:51:31 -05:00
f168666045 chore(release): 0.4.0
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2022-04-10 10:21:47 -05:00
604916a829 Merge pull request 'pairs' (#5) from pairs into master
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Reviewed-on: #5
2022-04-10 15:20:05 +00:00
941313a14c style: whitespace fixes
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2022-04-10 10:05:15 -05:00
cb64c0b7b6 Merge branch 'master' into pairs 2022-04-10 10:03:47 -05:00
ec7b4cac39 feat: Adds dynamic cycle count increases to help reach minimum success count
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2022-03-28 15:46:40 -05:00
31e6cfaf51 lint: lint fixes
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2022-03-28 12:28:24 -05:00
c1c711f47b fix: uses bigfix from pdme for negatives
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2022-03-28 10:52:28 -05:00
6463b135ef feat!: Adds pair calculations, with changing api format
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2022-03-27 19:01:14 -05:00
a283cbd670 Merge pull request 'chore(deps): update dependency mypy to ^0.942' (#3) from renovate/mypy-0.x into master
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2022-03-25 13:15:07 +00:00
0b45172ca0 chore(deps): update dependency mypy to ^0.942
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2022-03-25 01:30:47 +00:00
b6383d0a47 Merge pull request 'chore(deps): update dependency mypy to ^0.941' (#2) from renovate/mypy-0.x into master
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2022-03-19 00:54:39 +00:00
450d8e0ec9 chore(deps): update dependency mypy to ^0.941
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2022-03-15 01:30:59 +00:00
f81904a898 chore(release): 0.3.5
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2022-03-06 18:42:26 -06:00
88d961313c feat: makes chunksize configurable
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2022-03-06 18:42:05 -06:00
10 changed files with 914 additions and 147 deletions

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@@ -2,6 +2,52 @@
All notable changes to this project will be documented in this file. See [standard-version](https://github.com/conventional-changelog/standard-version) for commit guidelines.
## [0.5.0](https://gitea.deepak.science:2222/physics/deepdog/compare/0.4.0...0.5.0) (2022-04-30)
### ⚠ BREAKING CHANGES
* simulpairs now uses different rng calculator
### Features
* adds simulpairs run ([e9277c3](https://gitea.deepak.science:2222/physics/deepdog/commit/e9277c3da777359feb352c0b19f3bb029248ba2f))
* has better parallelisation ([edf0ba6](https://gitea.deepak.science:2222/physics/deepdog/commit/edf0ba6532c0588fce32341709cdb70e384b83f4))
* simulpairs now uses different rng calculator ([50dbc48](https://gitea.deepak.science:2222/physics/deepdog/commit/50dbc4835e60bace9e9b4ba37415f073a3c9e479))
### Bug Fixes
* better parallelisation hopefully ([42829c0](https://gitea.deepak.science:2222/physics/deepdog/commit/42829c0327e080e18be2fb75e746f6ac0d7c2f6d))
* Makes altbayessimulpairs available in package ([492a5e6](https://gitea.deepak.science:2222/physics/deepdog/commit/492a5e6681c85f95840e28cfd5d4ce4ca1d54eba))
* stronger names ([0954429](https://gitea.deepak.science:2222/physics/deepdog/commit/0954429e2d015a105ff16dfbb9e7a352bf53e5e9))
* Uses correct filename arg for passed in rng ([349341b](https://gitea.deepak.science:2222/physics/deepdog/commit/349341b405375a43b933f1fd7db4ee9fc501def3))
* uses correct filename for pairs guy ([4c06b39](https://gitea.deepak.science:2222/physics/deepdog/commit/4c06b3912c811c93c310b1d9e4c153f2014c4f8b))
## [0.4.0](https://gitea.deepak.science:2222/physics/deepdog/compare/0.3.5...0.4.0) (2022-04-10)
### ⚠ BREAKING CHANGES
* Adds pair calculations, with changing api format
### Features
* Adds dynamic cycle count increases to help reach minimum success count ([ec7b4ca](https://gitea.deepak.science:2222/physics/deepdog/commit/ec7b4cac393c15e94c513215c4f1ba32be2ae87a))
* Adds pair calculations, with changing api format ([6463b13](https://gitea.deepak.science:2222/physics/deepdog/commit/6463b135ef2d212b565864b5ac1b655e014d2194))
### Bug Fixes
* uses bigfix from pdme for negatives ([c1c711f](https://gitea.deepak.science:2222/physics/deepdog/commit/c1c711f47b574d3a9b8a24dbcbdd7f50b9be8ea9))
### [0.3.5](https://gitea.deepak.science:2222/physics/deepdog/compare/0.3.4...0.3.5) (2022-03-07)
### Features
* makes chunksize configurable ([88d9613](https://gitea.deepak.science:2222/physics/deepdog/commit/88d961313c1db0d49fd96939aa725a8706fa0412))
### [0.3.4](https://gitea.deepak.science:2222/physics/deepdog/compare/0.3.3...0.3.4) (2022-03-06)

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@@ -2,6 +2,7 @@ import logging
from deepdog.meta import __version__
from deepdog.bayes_run import BayesRun
from deepdog.alt_bayes_run import AltBayesRun
from deepdog.alt_bayes_run_simulpairs import AltBayesRunSimulPairs
from deepdog.diagnostic import Diagnostic
@@ -9,7 +10,13 @@ def get_version():
return __version__
__all__ = ["get_version", "BayesRun", "AltBayesRun", "Diagnostic"]
__all__ = [
"get_version",
"BayesRun",
"AltBayesRun",
"AltBayesRunSimulPairs",
"Diagnostic",
]
logging.getLogger(__name__).addHandler(logging.NullHandler())

View File

@@ -1,6 +1,9 @@
import pdme.inputs
import pdme.model
import pdme.measurement.input_types
import pdme.measurement.oscillating_dipole
import pdme.util.fast_v_calc
import pdme.util.fast_nonlocal_spectrum
from typing import Sequence, Tuple, List
import datetime
import csv
@@ -10,7 +13,7 @@ import numpy
# TODO: remove hardcode
CHUNKSIZE = 20
CHUNKSIZE = 50
# TODO: It's garbage to have this here duplicated from pdme.
DotInput = Tuple[numpy.typing.ArrayLike, float]
@@ -21,49 +24,131 @@ _logger = logging.getLogger(__name__)
def get_a_result(input) -> int:
discretisation, dot_inputs, lows, highs, monte_carlo_count, max_frequency = input
sample_dipoles = discretisation.get_model().get_n_single_dipoles(monte_carlo_count, max_frequency)
sample_dipoles = discretisation.get_model().get_n_single_dipoles(
monte_carlo_count, max_frequency
)
vals = pdme.util.fast_v_calc.fast_vs_for_dipoles(dot_inputs, sample_dipoles)
return numpy.count_nonzero(pdme.util.fast_v_calc.between(vals, lows, highs))
class AltBayesRun():
'''
def get_a_result_using_pairs(input) -> int:
(
discretisation,
dot_inputs,
pair_inputs,
local_lows,
local_highs,
nonlocal_lows,
nonlocal_highs,
monte_carlo_count,
max_frequency,
) = input
sample_dipoles = discretisation.get_model().get_n_single_dipoles(
monte_carlo_count, max_frequency
)
local_vals = pdme.util.fast_v_calc.fast_vs_for_dipoles(dot_inputs, sample_dipoles)
local_matches = pdme.util.fast_v_calc.between(local_vals, local_lows, local_highs)
nonlocal_vals = pdme.util.fast_nonlocal_spectrum.fast_s_nonlocal(
pair_inputs, sample_dipoles
)
nonlocal_matches = pdme.util.fast_v_calc.between(
nonlocal_vals, nonlocal_lows, nonlocal_highs
)
combined_matches = numpy.logical_and(local_matches, nonlocal_matches)
return numpy.count_nonzero(combined_matches)
class AltBayesRun:
"""
A single Bayes run for a given set of dots.
Parameters
----------
dot_inputs : Sequence[DotInput]
The dot inputs for this bayes run.
The dot inputs for this bayes run.
discretisations_with_names : Sequence[Tuple(str, pdme.model.Model)]
The models to evaluate.
The models to evaluate.
actual_model_discretisation : pdme.model.Discretisation
The discretisation for the model which is actually correct.
The discretisation for the model which is actually correct.
filename_slug : str
The filename slug to include.
The filename slug to include.
run_count: int
The number of runs to do.
'''
def __init__(self, dot_inputs: Sequence[DotInput], discretisations_with_names: Sequence[Tuple[str, pdme.model.Discretisation]], actual_model: pdme.model.Model, filename_slug: str, run_count: int, low_error: float = 0.9, high_error: float = 1.1, monte_carlo_count: int = 10000, monte_carlo_cycles: int = 10, max_frequency: float = 20, end_threshold: float = None) -> None:
self.dot_inputs = dot_inputs
self.dot_inputs_array = pdme.measurement.oscillating_dipole.dot_inputs_to_array(dot_inputs)
The number of runs to do.
"""
def __init__(
self,
dot_positions: Sequence[numpy.typing.ArrayLike],
frequency_range: Sequence[float],
discretisations_with_names: Sequence[Tuple[str, pdme.model.Discretisation]],
actual_model: pdme.model.Model,
filename_slug: str,
run_count: int = 100,
low_error: float = 0.9,
high_error: float = 1.1,
pairs_high_error=None,
pairs_low_error=None,
monte_carlo_count: int = 10000,
monte_carlo_cycles: int = 10,
target_success: int = 100,
max_monte_carlo_cycles_steps: int = 10,
max_frequency: float = 20,
end_threshold: float = None,
chunksize: int = CHUNKSIZE,
use_pairs: bool = False,
) -> None:
self.dot_inputs = pdme.inputs.inputs_with_frequency_range(
dot_positions, frequency_range
)
self.dot_inputs_array = pdme.measurement.input_types.dot_inputs_to_array(
self.dot_inputs
)
self.use_pairs = use_pairs
self.dot_pair_inputs = pdme.inputs.input_pairs_with_frequency_range(
dot_positions, frequency_range
)
self.dot_pair_inputs_array = (
pdme.measurement.input_types.dot_pair_inputs_to_array(self.dot_pair_inputs)
)
self.discretisations = [disc for (_, disc) in discretisations_with_names]
self.model_names = [name for (name, _) in discretisations_with_names]
self.actual_model = actual_model
self.model_count = len(self.discretisations)
self.monte_carlo_count = monte_carlo_count
self.monte_carlo_cycles = monte_carlo_cycles
self.target_success = target_success
self.max_monte_carlo_cycles_steps = max_monte_carlo_cycles_steps
self.run_count = run_count
self.low_error = low_error
self.high_error = high_error
if pairs_low_error is None:
self.pairs_low_error = self.low_error
else:
self.pairs_low_error = pairs_low_error
if pairs_high_error is None:
self.pairs_high_error = self.high_error
else:
self.pairs_high_error = pairs_high_error
self.csv_fields = ["dipole_moment", "dipole_location", "dipole_frequency"]
self.compensate_zeros = True
self.chunksize = chunksize
for name in self.model_names:
self.csv_fields.extend([f"{name}_success", f"{name}_count", f"{name}_prob"])
self.probabilities = [1 / self.model_count] * self.model_count
timestamp = datetime.datetime.now().strftime("%Y%m%d-%H%M%S")
self.filename = f"{timestamp}-{filename_slug}.altbayes.csv"
if self.use_pairs:
self.filename = f"{timestamp}-{filename_slug}.altbayes.pairs.csv"
else:
self.filename = f"{timestamp}-{filename_slug}.altbayes.csv"
self.max_frequency = max_frequency
if end_threshold is not None:
@@ -72,7 +157,9 @@ class AltBayesRun():
self.use_end_threshold = True
_logger.info(f"Will abort early, at {self.end_threshold}.")
else:
raise ValueError(f"end_threshold should be between 0 and 1, but is actually {end_threshold}")
raise ValueError(
f"end_threshold should be between 0 and 1, but is actually {end_threshold}"
)
def go(self) -> None:
with open(self.filename, "a", newline="") as outfile:
@@ -87,8 +174,32 @@ class AltBayesRun():
# Generate the actual dipoles
actual_dipoles = self.actual_model.get_dipoles(frequency)
dots = actual_dipoles.get_percent_range_dot_measurements(self.dot_inputs, self.low_error, self.high_error)
lows, highs = pdme.measurement.oscillating_dipole.dot_range_measurements_low_high_arrays(dots)
dots = actual_dipoles.get_percent_range_dot_measurements(
self.dot_inputs, self.low_error, self.high_error
)
(
lows,
highs,
) = pdme.measurement.input_types.dot_range_measurements_low_high_arrays(
dots
)
pair_lows, pair_highs = (None, None)
if self.use_pairs:
pair_measurements = (
actual_dipoles.get_percent_range_dot_pair_measurements(
self.dot_pair_inputs,
self.pairs_low_error,
self.pairs_high_error,
)
)
(
pair_lows,
pair_highs,
) = pdme.measurement.input_types.dot_range_measurements_low_high_arrays(
pair_measurements
)
_logger.info(f"Going to work on dipole at {actual_dipoles.dipoles}")
results = []
@@ -96,38 +207,101 @@ class AltBayesRun():
for disc_count, discretisation in enumerate(self.discretisations):
_logger.debug(f"Doing discretisation #{disc_count}")
with multiprocessing.Pool(multiprocessing.cpu_count() - 1 or 1) as pool:
results.append(sum(
pool.imap_unordered(get_a_result, [(discretisation, self.dot_inputs_array, lows, highs, self.monte_carlo_count, self.max_frequency)] * self.monte_carlo_cycles, CHUNKSIZE)
))
cycle_count = 0
cycle_success = 0
cycles = 0
while (cycles < self.max_monte_carlo_cycles_steps) and (
cycle_success <= self.target_success
):
_logger.debug(f"Starting cycle {cycles}")
cycles += 1
current_success = 0
cycle_count += self.monte_carlo_count * self.monte_carlo_cycles
if self.use_pairs:
current_success = sum(
pool.imap_unordered(
get_a_result_using_pairs,
[
(
discretisation,
self.dot_inputs_array,
self.dot_pair_inputs_array,
lows,
highs,
pair_lows,
pair_highs,
self.monte_carlo_count,
self.max_frequency,
)
]
* self.monte_carlo_cycles,
self.chunksize,
)
)
else:
current_success = sum(
pool.imap_unordered(
get_a_result,
[
(
discretisation,
self.dot_inputs_array,
lows,
highs,
self.monte_carlo_count,
self.max_frequency,
)
]
* self.monte_carlo_cycles,
self.chunksize,
)
)
cycle_success += current_success
results.append((cycle_count, cycle_success))
_logger.debug("Done, constructing output now")
row = {
"dipole_moment": actual_dipoles.dipoles[0].p,
"dipole_location": actual_dipoles.dipoles[0].s,
"dipole_frequency": actual_dipoles.dipoles[0].w
"dipole_frequency": actual_dipoles.dipoles[0].w,
}
successes: List[float] = []
counts: List[int] = []
for model_index, (name, result) in enumerate(zip(self.model_names, results)):
for model_index, (name, (count, result)) in enumerate(
zip(self.model_names, results)
):
row[f"{name}_success"] = result
row[f"{name}_count"] = self.monte_carlo_count * self.monte_carlo_cycles
row[f"{name}_count"] = count
successes.append(max(result, 0.5))
counts.append(self.monte_carlo_count * self.monte_carlo_cycles)
counts.append(count)
success_weight = sum([(succ / count) * prob for succ, count, prob in zip(successes, counts, self.probabilities)])
new_probabilities = [(succ / count) * old_prob / success_weight for succ, count, old_prob in zip(successes, counts, self.probabilities)]
success_weight = sum(
[
(succ / count) * prob
for succ, count, prob in zip(successes, counts, self.probabilities)
]
)
new_probabilities = [
(succ / count) * old_prob / success_weight
for succ, count, old_prob in zip(successes, counts, self.probabilities)
]
self.probabilities = new_probabilities
for name, probability in zip(self.model_names, self.probabilities):
row[f"{name}_prob"] = probability
_logger.info(row)
with open(self.filename, "a", newline="") as outfile:
writer = csv.DictWriter(outfile, fieldnames=self.csv_fields, dialect="unix")
writer = csv.DictWriter(
outfile, fieldnames=self.csv_fields, dialect="unix"
)
writer.writerow(row)
if self.use_end_threshold:
max_prob = max(self.probabilities)
if max_prob > self.end_threshold:
_logger.info(f"Aborting early, because {max_prob} is greater than {self.end_threshold}")
_logger.info(
f"Aborting early, because {max_prob} is greater than {self.end_threshold}"
)
break

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@@ -0,0 +1,357 @@
import pdme.inputs
import pdme.model
import pdme.measurement.input_types
import pdme.measurement.oscillating_dipole
import pdme.util.fast_v_calc
import pdme.util.fast_nonlocal_spectrum
from typing import Sequence, Tuple, List
import datetime
import csv
import multiprocessing
import logging
import numpy
import numpy.random
# TODO: remove hardcode
CHUNKSIZE = 50
# TODO: It's garbage to have this here duplicated from pdme.
DotInput = Tuple[numpy.typing.ArrayLike, float]
_logger = logging.getLogger(__name__)
def get_a_simul_result_using_pairs(input) -> numpy.ndarray:
(
discretisation,
dot_inputs,
pair_inputs,
local_lows,
local_highs,
nonlocal_lows,
nonlocal_highs,
monte_carlo_count,
monte_carlo_cycles,
max_frequency,
seed,
) = input
rng = numpy.random.default_rng(seed)
local_total = 0
combined_total = 0
sample_dipoles = discretisation.get_model().get_n_single_dipoles(
monte_carlo_count, max_frequency, rng_to_use=rng
)
local_vals = pdme.util.fast_v_calc.fast_vs_for_dipoles(
dot_inputs, sample_dipoles
)
local_matches = pdme.util.fast_v_calc.between(
local_vals, local_lows, local_highs
)
nonlocal_vals = pdme.util.fast_nonlocal_spectrum.fast_s_nonlocal(
pair_inputs, sample_dipoles
)
nonlocal_matches = pdme.util.fast_v_calc.between(
nonlocal_vals, nonlocal_lows, nonlocal_highs
)
combined_matches = numpy.logical_and(local_matches, nonlocal_matches)
local_total += numpy.count_nonzero(local_matches)
combined_total += numpy.count_nonzero(combined_matches)
return numpy.array([local_total, combined_total])
class AltBayesRunSimulPairs:
"""
A dual pairs-nonpairs Bayes run for a given set of dots.
Parameters
----------
dot_inputs : Sequence[DotInput]
The dot inputs for this bayes run.
discretisations_with_names : Sequence[Tuple(str, pdme.model.Model)]
The models to evaluate.
actual_model_discretisation : pdme.model.Discretisation
The discretisation for the model which is actually correct.
filename_slug : str
The filename slug to include.
run_count: int
The number of runs to do.
"""
def __init__(
self,
dot_positions: Sequence[numpy.typing.ArrayLike],
frequency_range: Sequence[float],
discretisations_with_names: Sequence[Tuple[str, pdme.model.Discretisation]],
actual_model: pdme.model.Model,
filename_slug: str,
run_count: int = 100,
low_error: float = 0.9,
high_error: float = 1.1,
pairs_high_error=None,
pairs_low_error=None,
monte_carlo_count: int = 10000,
monte_carlo_cycles: int = 10,
target_success: int = 100,
max_monte_carlo_cycles_steps: int = 10,
max_frequency: float = 20,
end_threshold: float = None,
chunksize: int = CHUNKSIZE,
) -> None:
self.dot_inputs = pdme.inputs.inputs_with_frequency_range(
dot_positions, frequency_range
)
self.dot_inputs_array = pdme.measurement.input_types.dot_inputs_to_array(
self.dot_inputs
)
self.dot_pair_inputs = pdme.inputs.input_pairs_with_frequency_range(
dot_positions, frequency_range
)
self.dot_pair_inputs_array = (
pdme.measurement.input_types.dot_pair_inputs_to_array(self.dot_pair_inputs)
)
self.discretisations = [disc for (_, disc) in discretisations_with_names]
self.model_names = [name for (name, _) in discretisations_with_names]
self.actual_model = actual_model
self.model_count = len(self.discretisations)
self.monte_carlo_count = monte_carlo_count
self.monte_carlo_cycles = monte_carlo_cycles
self.target_success = target_success
self.max_monte_carlo_cycles_steps = max_monte_carlo_cycles_steps
self.run_count = run_count
self.low_error = low_error
self.high_error = high_error
if pairs_low_error is None:
self.pairs_low_error = self.low_error
else:
self.pairs_low_error = pairs_low_error
if pairs_high_error is None:
self.pairs_high_error = self.high_error
else:
self.pairs_high_error = pairs_high_error
self.csv_fields = ["dipole_moment", "dipole_location", "dipole_frequency"]
self.compensate_zeros = True
self.chunksize = chunksize
for name in self.model_names:
self.csv_fields.extend([f"{name}_success", f"{name}_count", f"{name}_prob"])
self.probabilities_no_pairs = [1 / self.model_count] * self.model_count
self.probabilities_pairs = [1 / self.model_count] * self.model_count
timestamp = datetime.datetime.now().strftime("%Y%m%d-%H%M%S")
self.filename_pairs = f"{timestamp}-{filename_slug}.simulpairs.yespairs.csv"
self.filename_no_pairs = f"{timestamp}-{filename_slug}.simulpairs.noopairs.csv"
self.max_frequency = max_frequency
if end_threshold is not None:
if 0 < end_threshold < 1:
self.end_threshold: float = end_threshold
self.use_end_threshold = True
_logger.info(f"Will abort early, at {self.end_threshold}.")
else:
raise ValueError(
f"end_threshold should be between 0 and 1, but is actually {end_threshold}"
)
def go(self) -> None:
with open(self.filename_pairs, "a", newline="") as outfile:
writer = csv.DictWriter(outfile, fieldnames=self.csv_fields, dialect="unix")
writer.writeheader()
with open(self.filename_no_pairs, "a", newline="") as outfile:
writer = csv.DictWriter(outfile, fieldnames=self.csv_fields, dialect="unix")
writer.writeheader()
for run in range(1, self.run_count + 1):
rng = numpy.random.default_rng()
frequency = rng.uniform(1, self.max_frequency)
# Generate the actual dipoles
actual_dipoles = self.actual_model.get_dipoles(frequency)
dots = actual_dipoles.get_percent_range_dot_measurements(
self.dot_inputs, self.low_error, self.high_error
)
(
lows,
highs,
) = pdme.measurement.input_types.dot_range_measurements_low_high_arrays(
dots
)
pair_lows, pair_highs = (None, None)
pair_measurements = actual_dipoles.get_percent_range_dot_pair_measurements(
self.dot_pair_inputs, self.pairs_low_error, self.pairs_high_error
)
(
pair_lows,
pair_highs,
) = pdme.measurement.input_types.dot_range_measurements_low_high_arrays(
pair_measurements
)
_logger.info(f"Going to work on dipole at {actual_dipoles.dipoles}")
# define a new seed sequence for each run
seed_sequence = numpy.random.SeedSequence(run)
results_pairs = []
results_no_pairs = []
_logger.debug("Going to iterate over discretisations now")
for disc_count, discretisation in enumerate(self.discretisations):
_logger.debug(f"Doing discretisation #{disc_count}")
core_count = multiprocessing.cpu_count() - 1 or 1
with multiprocessing.Pool(core_count) as pool:
cycle_count = 0
cycle_success_pairs = 0
cycle_success_no_pairs = 0
cycles = 0
while (cycles < self.max_monte_carlo_cycles_steps) and (
min(cycle_success_pairs, cycle_success_no_pairs)
<= self.target_success
):
_logger.debug(f"Starting cycle {cycles}")
_logger.debug(f"(pair, no_pair) successes are {(cycle_success_pairs, cycle_success_no_pairs)}")
cycles += 1
current_success_pairs = 0
current_success_no_pairs = 0
cycle_count += self.monte_carlo_count * self.monte_carlo_cycles
# generate a seed from the sequence for each core.
# note this needs to be inside the loop for monte carlo cycle steps!
# that way we get more stuff.
seeds = seed_sequence.spawn(self.monte_carlo_cycles)
_logger.debug(f"Creating {self.monte_carlo_cycles} seeds")
current_success_both = numpy.array(
sum(
pool.imap_unordered(
get_a_simul_result_using_pairs,
[
(
discretisation,
self.dot_inputs_array,
self.dot_pair_inputs_array,
lows,
highs,
pair_lows,
pair_highs,
self.monte_carlo_count,
self.monte_carlo_cycles,
self.max_frequency,
seed,
)
for seed in seeds
],
self.chunksize,
)
)
)
current_success_no_pairs = current_success_both[0]
current_success_pairs = current_success_both[1]
cycle_success_no_pairs += current_success_no_pairs
cycle_success_pairs += current_success_pairs
results_pairs.append((cycle_count, cycle_success_pairs))
results_no_pairs.append((cycle_count, cycle_success_no_pairs))
_logger.debug("Done, constructing output now")
row_pairs = {
"dipole_moment": actual_dipoles.dipoles[0].p,
"dipole_location": actual_dipoles.dipoles[0].s,
"dipole_frequency": actual_dipoles.dipoles[0].w,
}
row_no_pairs = {
"dipole_moment": actual_dipoles.dipoles[0].p,
"dipole_location": actual_dipoles.dipoles[0].s,
"dipole_frequency": actual_dipoles.dipoles[0].w,
}
successes_pairs: List[float] = []
successes_no_pairs: List[float] = []
counts: List[int] = []
for model_index, (
name,
(count_pair, result_pair),
(count_no_pair, result_no_pair),
) in enumerate(zip(self.model_names, results_pairs, results_no_pairs)):
row_pairs[f"{name}_success"] = result_pair
row_pairs[f"{name}_count"] = count_pair
successes_pairs.append(max(result_pair, 0.5))
row_no_pairs[f"{name}_success"] = result_no_pair
row_no_pairs[f"{name}_count"] = count_no_pair
successes_no_pairs.append(max(result_no_pair, 0.5))
counts.append(count_pair)
success_weight_pair = sum(
[
(succ / count) * prob
for succ, count, prob in zip(
successes_pairs, counts, self.probabilities_pairs
)
]
)
success_weight_no_pair = sum(
[
(succ / count) * prob
for succ, count, prob in zip(
successes_no_pairs, counts, self.probabilities_no_pairs
)
]
)
new_probabilities_pair = [
(succ / count) * old_prob / success_weight_pair
for succ, count, old_prob in zip(
successes_pairs, counts, self.probabilities_pairs
)
]
new_probabilities_no_pair = [
(succ / count) * old_prob / success_weight_no_pair
for succ, count, old_prob in zip(
successes_no_pairs, counts, self.probabilities_no_pairs
)
]
self.probabilities_pairs = new_probabilities_pair
self.probabilities_no_pairs = new_probabilities_no_pair
for name, probability_pair, probability_no_pair in zip(
self.model_names, self.probabilities_pairs, self.probabilities_no_pairs
):
row_pairs[f"{name}_prob"] = probability_pair
row_no_pairs[f"{name}_prob"] = probability_no_pair
_logger.debug(row_pairs)
_logger.debug(row_no_pairs)
with open(self.filename_pairs, "a", newline="") as outfile:
writer = csv.DictWriter(
outfile, fieldnames=self.csv_fields, dialect="unix"
)
writer.writerow(row_pairs)
with open(self.filename_no_pairs, "a", newline="") as outfile:
writer = csv.DictWriter(
outfile, fieldnames=self.csv_fields, dialect="unix"
)
writer.writerow(row_no_pairs)
if self.use_end_threshold:
max_prob = min(
max(self.probabilities_pairs), max(self.probabilities_no_pairs)
)
if max_prob > self.end_threshold:
_logger.info(
f"Aborting early, because {max_prob} is greater than {self.end_threshold}"
)
break

View File

@@ -20,28 +20,44 @@ DotInput = Tuple[numpy.typing.ArrayLike, float]
_logger = logging.getLogger(__name__)
def get_a_result(discretisation, dots, index) -> Tuple[Tuple[int, ...], scipy.optimize.OptimizeResult]:
def get_a_result(
discretisation, dots, index
) -> Tuple[Tuple[int, ...], scipy.optimize.OptimizeResult]:
return (index, discretisation.solve_for_index(dots, index))
class BayesRun():
'''
class BayesRun:
"""
A single Bayes run for a given set of dots.
Parameters
----------
dot_inputs : Sequence[DotInput]
The dot inputs for this bayes run.
The dot inputs for this bayes run.
discretisations_with_names : Sequence[Tuple(str, pdme.model.Model)]
The models to evaluate.
The models to evaluate.
actual_model_discretisation : pdme.model.Discretisation
The discretisation for the model which is actually correct.
The discretisation for the model which is actually correct.
filename_slug : str
The filename slug to include.
The filename slug to include.
run_count: int
The number of runs to do.
'''
def __init__(self, dot_inputs: Sequence[DotInput], discretisations_with_names: Sequence[Tuple[str, pdme.model.Discretisation]], actual_model: pdme.model.Model, filename_slug: str, run_count: int, max_frequency: float = None, end_threshold: float = None) -> None:
The number of runs to do.
"""
def __init__(
self,
dot_inputs: Sequence[DotInput],
discretisations_with_names: Sequence[Tuple[str, pdme.model.Discretisation]],
actual_model: pdme.model.Model,
filename_slug: str,
run_count: int,
max_frequency: float = None,
end_threshold: float = None,
) -> None:
self.dot_inputs = dot_inputs
self.discretisations = [disc for (_, disc) in discretisations_with_names]
self.model_names = [name for (name, _) in discretisations_with_names]
@@ -65,7 +81,9 @@ class BayesRun():
self.use_end_threshold = True
_logger.info(f"Will abort early, at {self.end_threshold}.")
else:
raise ValueError(f"end_threshold should be between 0 and 1, but is actually {end_threshold}")
raise ValueError(
f"end_threshold should be between 0 and 1, but is actually {end_threshold}"
)
def go(self) -> None:
with open(self.filename, "a", newline="") as outfile:
@@ -87,17 +105,28 @@ class BayesRun():
for disc_count, discretisation in enumerate(self.discretisations):
_logger.debug(f"Doing discretisation #{disc_count}")
with multiprocessing.Pool(multiprocessing.cpu_count() - 1 or 1) as pool:
results.append(pool.starmap(get_a_result, zip(itertools.repeat(discretisation), itertools.repeat(dots), discretisation.all_indices())))
results.append(
pool.starmap(
get_a_result,
zip(
itertools.repeat(discretisation),
itertools.repeat(dots),
discretisation.all_indices(),
),
)
)
_logger.debug("Done, constructing output now")
row = {
"dipole_moment": dipoles.dipoles[0].p,
"dipole_location": dipoles.dipoles[0].s,
"dipole_frequency": dipoles.dipoles[0].w
"dipole_frequency": dipoles.dipoles[0].w,
}
successes: List[float] = []
counts: List[int] = []
for model_index, (name, result) in enumerate(zip(self.model_names, results)):
for model_index, (name, result) in enumerate(
zip(self.model_names, results)
):
count = 0
success = 0
for idx, val in result:
@@ -110,19 +139,31 @@ class BayesRun():
successes.append(max(success, 0.5))
counts.append(count)
success_weight = sum([(succ / count) * prob for succ, count, prob in zip(successes, counts, self.probabilities)])
new_probabilities = [(succ / count) * old_prob / success_weight for succ, count, old_prob in zip(successes, counts, self.probabilities)]
success_weight = sum(
[
(succ / count) * prob
for succ, count, prob in zip(successes, counts, self.probabilities)
]
)
new_probabilities = [
(succ / count) * old_prob / success_weight
for succ, count, old_prob in zip(successes, counts, self.probabilities)
]
self.probabilities = new_probabilities
for name, probability in zip(self.model_names, self.probabilities):
row[f"{name}_prob"] = probability
_logger.info(row)
with open(self.filename, "a", newline="") as outfile:
writer = csv.DictWriter(outfile, fieldnames=self.csv_fields, dialect="unix")
writer = csv.DictWriter(
outfile, fieldnames=self.csv_fields, dialect="unix"
)
writer.writerow(row)
if self.use_end_threshold:
max_prob = max(self.probabilities)
if max_prob > self.end_threshold:
_logger.info(f"Aborting early, because {max_prob} is greater than {self.end_threshold}")
_logger.info(
f"Aborting early, because {max_prob} is greater than {self.end_threshold}"
)
break

View File

@@ -18,7 +18,7 @@ def get_a_result(discretisation, dots, index):
@dataclass
class SingleDipoleDiagnostic():
class SingleDipoleDiagnostic:
model: str
index: Tuple
bounds: Tuple
@@ -43,31 +43,71 @@ class SingleDipoleDiagnostic():
self.w_result = self.result_dipole.w
class Diagnostic():
'''
class Diagnostic:
"""
Represents a diagnostic for a single dipole moment given a set of discretisations.
Parameters
----------
dot_inputs : Sequence[DotInput]
The dot inputs for this diagnostic.
The dot inputs for this diagnostic.
discretisations_with_names : Sequence[Tuple(str, pdme.model.Model)]
The models to evaluate.
The models to evaluate.
actual_model_discretisation : pdme.model.Discretisation
The discretisation for the model which is actually correct.
The discretisation for the model which is actually correct.
filename_slug : str
The filename slug to include.
The filename slug to include.
run_count: int
The number of runs to do.
'''
def __init__(self, actual_dipole_moment: numpy.ndarray, actual_dipole_position: numpy.ndarray, actual_dipole_frequency: float, dot_inputs: Sequence[DotInput], discretisations_with_names: Sequence[Tuple[str, pdme.model.Discretisation]], filename_slug: str) -> None:
self.dipoles = OscillatingDipoleArrangement([OscillatingDipole(actual_dipole_moment, actual_dipole_position, actual_dipole_frequency)])
The number of runs to do.
"""
def __init__(
self,
actual_dipole_moment: numpy.ndarray,
actual_dipole_position: numpy.ndarray,
actual_dipole_frequency: float,
dot_inputs: Sequence[DotInput],
discretisations_with_names: Sequence[Tuple[str, pdme.model.Discretisation]],
filename_slug: str,
) -> None:
self.dipoles = OscillatingDipoleArrangement(
[
OscillatingDipole(
actual_dipole_moment,
actual_dipole_position,
actual_dipole_frequency,
)
]
)
self.dots = self.dipoles.get_dot_measurements(dot_inputs)
self.discretisations_with_names = discretisations_with_names
self.model_count = len(self.discretisations_with_names)
self.csv_fields = ["model", "index", "bounds", "p_actual_x", "p_actual_y", "p_actual_z", "s_actual_x", "s_actual_y", "s_actual_z", "w_actual", "success", "p_result_x", "p_result_y", "p_result_z", "s_result_x", "s_result_y", "s_result_z", "w_result"]
self.csv_fields = [
"model",
"index",
"bounds",
"p_actual_x",
"p_actual_y",
"p_actual_z",
"s_actual_x",
"s_actual_y",
"s_actual_z",
"w_actual",
"success",
"p_result_x",
"p_result_y",
"p_result_z",
"s_result_x",
"s_result_y",
"s_result_z",
"w_result",
]
timestamp = datetime.datetime.now().strftime("%Y%m%d-%H%M%S")
self.filename = f"{timestamp}-{filename_slug}.diag.csv"
@@ -75,7 +115,7 @@ class Diagnostic():
def go(self):
with open(self.filename, "a", newline="") as outfile:
# csv fields
writer = csv.DictWriter(outfile, fieldnames=self.csv_fields, dialect='unix')
writer = csv.DictWriter(outfile, fieldnames=self.csv_fields, dialect="unix")
writer.writeheader()
for (name, discretisation) in self.discretisations_with_names:
@@ -83,17 +123,38 @@ class Diagnostic():
results = []
with multiprocessing.Pool(multiprocessing.cpu_count() - 1 or 1) as pool:
results = pool.starmap(get_a_result, zip(itertools.repeat(discretisation), itertools.repeat(self.dots), discretisation.all_indices()))
results = pool.starmap(
get_a_result,
zip(
itertools.repeat(discretisation),
itertools.repeat(self.dots),
discretisation.all_indices(),
),
)
with open(self.filename, "a", newline='') as outfile:
writer = csv.DictWriter(outfile, fieldnames=self.csv_fields, dialect='unix', extrasaction="ignore")
with open(self.filename, "a", newline="") as outfile:
writer = csv.DictWriter(
outfile,
fieldnames=self.csv_fields,
dialect="unix",
extrasaction="ignore",
)
for idx, result in results:
bounds = discretisation.bounds(idx)
actual_success = result.success and result.cost <= 1e-10
diag_row = SingleDipoleDiagnostic(name, idx, bounds, self.dipoles.dipoles[0], discretisation.model.solution_as_dipoles(result.normalised_x)[0], actual_success)
diag_row = SingleDipoleDiagnostic(
name,
idx,
bounds,
self.dipoles.dipoles[0],
discretisation.model.solution_as_dipoles(result.normalised_x)[
0
],
actual_success,
)
row = vars(diag_row)
_logger.debug(f"Writing result {row}")
writer.writerow(row)

View File

@@ -1,3 +1,3 @@
from importlib.metadata import version
__version__ = version('deepdog')
__version__ = version("deepdog")

5
do.sh
View File

@@ -16,6 +16,11 @@ test() {
poetry run pytest
}
fmt() {
poetry run black .
find . -type f -name "*.py" -exec sed -i -e 's/ /\t/g' {} \;
}
release() {
./scripts/release.sh
}

233
poetry.lock generated
View File

@@ -20,6 +20,28 @@ docs = ["furo", "sphinx", "zope.interface", "sphinx-notfound-page"]
tests = ["coverage[toml] (>=5.0.2)", "hypothesis", "pympler", "pytest (>=4.3.0)", "six", "mypy", "pytest-mypy-plugins", "zope.interface", "cloudpickle"]
tests_no_zope = ["coverage[toml] (>=5.0.2)", "hypothesis", "pympler", "pytest (>=4.3.0)", "six", "mypy", "pytest-mypy-plugins", "cloudpickle"]
[[package]]
name = "black"
version = "22.3.0"
description = "The uncompromising code formatter."
category = "dev"
optional = false
python-versions = ">=3.6.2"
[package.dependencies]
click = ">=8.0.0"
mypy-extensions = ">=0.4.3"
pathspec = ">=0.9.0"
platformdirs = ">=2"
tomli = {version = ">=1.1.0", markers = "python_version < \"3.11\""}
typing-extensions = {version = ">=3.10.0.0", markers = "python_version < \"3.10\""}
[package.extras]
colorama = ["colorama (>=0.4.3)"]
d = ["aiohttp (>=3.7.4)"]
jupyter = ["ipython (>=7.8.0)", "tokenize-rt (>=3.2.0)"]
uvloop = ["uvloop (>=0.15.2)"]
[[package]]
name = "bleach"
version = "4.1.0"
@@ -260,7 +282,7 @@ python-versions = "*"
[[package]]
name = "mypy"
version = "0.931"
version = "0.950"
description = "Optional static typing for Python"
category = "dev"
optional = false
@@ -268,12 +290,13 @@ python-versions = ">=3.6"
[package.dependencies]
mypy-extensions = ">=0.4.3"
tomli = ">=1.1.0"
tomli = {version = ">=1.1.0", markers = "python_version < \"3.11\""}
typing-extensions = ">=3.10"
[package.extras]
dmypy = ["psutil (>=4.0)"]
python2 = ["typed-ast (>=1.4.0,<2)"]
reports = ["lxml"]
[[package]]
name = "mypy-extensions"
@@ -285,7 +308,7 @@ python-versions = "*"
[[package]]
name = "numpy"
version = "1.22.1"
version = "1.22.3"
description = "NumPy is the fundamental package for array computing with Python."
category = "main"
optional = false
@@ -302,17 +325,25 @@ python-versions = ">=3.6"
[package.dependencies]
pyparsing = ">=2.0.2,<3.0.5 || >3.0.5"
[[package]]
name = "pathspec"
version = "0.9.0"
description = "Utility library for gitignore style pattern matching of file paths."
category = "dev"
optional = false
python-versions = "!=3.0.*,!=3.1.*,!=3.2.*,!=3.3.*,!=3.4.*,>=2.7"
[[package]]
name = "pdme"
version = "0.5.4"
version = "0.6.2"
description = "Python dipole model evaluator"
category = "main"
optional = false
python-versions = ">=3.8,<3.10"
[package.dependencies]
numpy = ">=1.21.1,<2.0.0"
scipy = ">=1.5,<1.6"
numpy = ">=1.22.3,<2.0.0"
scipy = ">=1.8,<1.9"
[[package]]
name = "pkginfo"
@@ -325,6 +356,18 @@ python-versions = "*"
[package.extras]
testing = ["coverage", "nose"]
[[package]]
name = "platformdirs"
version = "2.5.1"
description = "A small Python module for determining appropriate platform-specific dirs, e.g. a \"user data dir\"."
category = "dev"
optional = false
python-versions = ">=3.7"
[package.extras]
docs = ["Sphinx (>=4)", "furo (>=2021.7.5b38)", "proselint (>=0.10.2)", "sphinx-autodoc-typehints (>=1.12)"]
test = ["appdirs (==1.4.4)", "pytest (>=6)", "pytest-cov (>=2.7)", "pytest-mock (>=3.6)"]
[[package]]
name = "pluggy"
version = "1.0.0"
@@ -532,14 +575,14 @@ idna2008 = ["idna"]
[[package]]
name = "scipy"
version = "1.5.4"
version = "1.8.0"
description = "SciPy: Scientific Library for Python"
category = "main"
optional = false
python-versions = ">=3.6"
python-versions = ">=3.8,<3.11"
[package.dependencies]
numpy = ">=1.14.5"
numpy = ">=1.17.3,<1.25.0"
[[package]]
name = "secretstorage"
@@ -697,7 +740,7 @@ testing = ["pytest (>=6)", "pytest-checkdocs (>=2.4)", "pytest-flake8", "pytest-
[metadata]
lock-version = "1.1"
python-versions = "^3.8,<3.10"
content-hash = "ba794e6f69d42e44e2b1abc40731fd78d2f417cdc9be12d6e752dbcfa95adaad"
content-hash = "98877f53c0ca996cd6eaa2c3b7391e391d29c7a4d3f1e08159fc999a3e4ad296"
[metadata.files]
atomicwrites = [
@@ -708,6 +751,31 @@ attrs = [
{file = "attrs-21.4.0-py2.py3-none-any.whl", hash = "sha256:2d27e3784d7a565d36ab851fe94887c5eccd6a463168875832a1be79c82828b4"},
{file = "attrs-21.4.0.tar.gz", hash = "sha256:626ba8234211db98e869df76230a137c4c40a12d72445c45d5f5b716f076e2fd"},
]
black = [
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View File

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version = "0.5.0"
description = ""
authors = ["Deepak Mallubhotla <dmallubhotla+github@gmail.com>"]
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