Merge pull request 'multi' (#8) from multi into master
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Reviewed-on: #8
This commit is contained in:
Deepak Mallubhotla 2022-05-22 00:24:07 +00:00
commit 252b4a4414
7 changed files with 233 additions and 567 deletions

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@ -1,9 +1,7 @@
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
from deepdog.bayes_run_simulpairs import BayesRunSimulPairs
def get_version():
@ -13,9 +11,7 @@ def get_version():
__all__ = [
"get_version",
"BayesRun",
"AltBayesRun",
"AltBayesRunSimulPairs",
"Diagnostic",
"BayesRunSimulPairs",
]

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@ -1,307 +0,0 @@
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
# 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_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
)
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))
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.
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,
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")
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:
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, "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)
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 = []
_logger.debug("Going to iterate over discretisations now")
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:
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,
}
successes: List[float] = []
counts: List[int] = []
for model_index, (name, (count, result)) in enumerate(
zip(self.model_names, results)
):
row[f"{name}_success"] = result
row[f"{name}_count"] = count
successes.append(max(result, 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)
]
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.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}"
)
break

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@ -1,17 +1,19 @@
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 itertools
import csv
import multiprocessing
import logging
import numpy
import scipy.optimize
import multiprocessing
# TODO: remove hardcode
COST_THRESHOLD = 1e-10
CHUNKSIZE = 50
# TODO: It's garbage to have this here duplicated from pdme.
DotInput = Tuple[numpy.typing.ArrayLike, float]
@ -20,10 +22,40 @@ DotInput = Tuple[numpy.typing.ArrayLike, float]
_logger = logging.getLogger(__name__)
def get_a_result(
discretisation, dots, index
) -> Tuple[Tuple[int, ...], scipy.optimize.OptimizeResult]:
return (index, discretisation.solve_for_index(dots, index))
def get_a_result(input) -> int:
model, dot_inputs, lows, highs, monte_carlo_count, max_frequency, seed = input
rng = numpy.random.default_rng(seed)
sample_dipoles = model.get_monte_carlo_dipole_inputs(
monte_carlo_count, max_frequency, rng_to_use=rng
)
vals = pdme.util.fast_v_calc.fast_vs_for_dipoleses(dot_inputs, sample_dipoles)
return numpy.count_nonzero(pdme.util.fast_v_calc.between(vals, lows, highs))
def get_a_result_using_pairs(input) -> int:
(
model,
dot_inputs,
pair_inputs,
local_lows,
local_highs,
nonlocal_lows,
nonlocal_highs,
monte_carlo_count,
max_frequency,
) = input
sample_dipoles = 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 BayesRun:
@ -35,11 +67,11 @@ class BayesRun:
dot_inputs : Sequence[DotInput]
The dot inputs for this bayes run.
discretisations_with_names : Sequence[Tuple(str, pdme.model.Model)]
models_with_names : Sequence[Tuple(str, pdme.model.DipoleModel)]
The models to evaluate.
actual_model_discretisation : pdme.model.Discretisation
The discretisation for the model which is actually correct.
actual_model : pdme.model.DipoleModel
The model which is actually correct.
filename_slug : str
The filename slug to include.
@ -50,29 +82,66 @@ class BayesRun:
def __init__(
self,
dot_inputs: Sequence[DotInput],
discretisations_with_names: Sequence[Tuple[str, pdme.model.Discretisation]],
actual_model: pdme.model.Model,
dot_positions: Sequence[numpy.typing.ArrayLike],
frequency_range: Sequence[float],
models_with_names: Sequence[Tuple[str, pdme.model.DipoleModel]],
actual_model: pdme.model.DipoleModel,
filename_slug: str,
run_count: int,
max_frequency: float = None,
run_count: int = 100,
low_error: float = 0.9,
high_error: float = 1.1,
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 = dot_inputs
self.discretisations = [disc for (_, disc) in discretisations_with_names]
self.model_names = [name for (name, _) in discretisations_with_names]
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.models = [model for (_, model) in models_with_names]
self.model_names = [name for (name, _) in models_with_names]
self.actual_model = actual_model
self.model_count = len(self.discretisations)
self.n: int
try:
self.n = self.actual_model.n # type: ignore
except AttributeError:
self.n = 1
self.model_count = len(self.models)
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.csv_fields = ["dipole_moment", "dipole_location", "dipole_frequency"]
self.low_error = low_error
self.high_error = high_error
self.csv_fields = []
for i in range(self.n):
self.csv_fields.extend(
[
f"dipole_moment_{i+1}",
f"dipole_location_{i+1}",
f"dipole_frequency_{i+1}",
]
)
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}.csv"
self.filename = f"{timestamp}-{filename_slug}.bayesrun.csv"
self.max_frequency = max_frequency
if end_threshold is not None:
@ -91,52 +160,95 @@ class BayesRun:
writer.writeheader()
for run in range(1, self.run_count + 1):
frequency: float = run
if self.max_frequency is not None and self.max_frequency > 1:
rng = numpy.random.default_rng()
frequency = rng.uniform(1, self.max_frequency)
dipoles = self.actual_model.get_dipoles(frequency)
dots = dipoles.get_dot_measurements(self.dot_inputs)
_logger.info(f"Going to work on dipole at {dipoles.dipoles}")
# Generate the actual dipoles
actual_dipoles = self.actual_model.get_dipoles(self.max_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
)
_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 = []
_logger.debug("Going to iterate over discretisations now")
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(),
),
_logger.debug("Going to iterate over models now")
for model_count, model in enumerate(self.models):
_logger.debug(f"Doing model #{model_count}")
core_count = multiprocessing.cpu_count() - 1 or 1
with multiprocessing.Pool(core_count) as pool:
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
# 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)
current_success = sum(
pool.imap_unordered(
get_a_result,
[
(
model,
self.dot_inputs_array,
lows,
highs,
self.monte_carlo_count,
self.max_frequency,
seed,
)
for seed in seeds
],
self.chunksize,
)
)
)
cycle_success += current_success
_logger.debug(f"current running successes: {cycle_success}")
results.append((cycle_count, cycle_success))
_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_moment_1": actual_dipoles.dipoles[0].p,
"dipole_location_1": actual_dipoles.dipoles[0].s,
"dipole_frequency_1": actual_dipoles.dipoles[0].w,
}
for i in range(1, self.n):
try:
current_dipoles = actual_dipoles.dipoles[i]
row[f"dipole_moment_{i+1}"] = current_dipoles.p
row[f"dipole_location_{i+1}"] = current_dipoles.s
row[f"dipole_frequency_{i+1}"] = current_dipoles.w
except IndexError:
_logger.info(f"Not writing anymore, saw end after {i}")
break
successes: List[float] = []
counts: List[int] = []
for model_index, (name, result) in enumerate(
for model_index, (name, (count, result)) in enumerate(
zip(self.model_names, results)
):
count = 0
success = 0
for idx, val in result:
count += 1
if val.success and val.cost <= COST_THRESHOLD:
success += 1
row[f"{name}_success"] = success
row[f"{name}_success"] = result
row[f"{name}_count"] = count
successes.append(max(success, 0.5))
successes.append(max(result, 0.5))
counts.append(count)
success_weight = sum(

View File

@ -25,7 +25,7 @@ _logger = logging.getLogger(__name__)
def get_a_simul_result_using_pairs(input) -> numpy.ndarray:
(
discretisation,
model,
dot_inputs,
pair_inputs,
local_lows,
@ -42,16 +42,12 @@ def get_a_simul_result_using_pairs(input) -> numpy.ndarray:
local_total = 0
combined_total = 0
sample_dipoles = discretisation.get_model().get_n_single_dipoles(
sample_dipoles = model.get_monte_carlo_dipole_inputs(
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(
local_vals = pdme.util.fast_v_calc.fast_vs_for_dipoleses(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_dipoleses(
pair_inputs, sample_dipoles
)
nonlocal_matches = pdme.util.fast_v_calc.between(
@ -64,7 +60,7 @@ def get_a_simul_result_using_pairs(input) -> numpy.ndarray:
return numpy.array([local_total, combined_total])
class AltBayesRunSimulPairs:
class BayesRunSimulPairs:
"""
A dual pairs-nonpairs Bayes run for a given set of dots.
@ -73,11 +69,11 @@ class AltBayesRunSimulPairs:
dot_inputs : Sequence[DotInput]
The dot inputs for this bayes run.
discretisations_with_names : Sequence[Tuple(str, pdme.model.Model)]
models_with_names : Sequence[Tuple(str, pdme.model.DipoleModel)]
The models to evaluate.
actual_model_discretisation : pdme.model.Discretisation
The discretisation for the model which is actually correct.
actual_model : pdme.model.DipoleModel
The modoel for the model which is actually correct.
filename_slug : str
The filename slug to include.
@ -90,8 +86,8 @@ class AltBayesRunSimulPairs:
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,
models_with_names: Sequence[Tuple[str, pdme.model.DipoleModel]],
actual_model: pdme.model.DipoleModel,
filename_slug: str,
run_count: int = 100,
low_error: float = 0.9,
@ -120,10 +116,17 @@ class AltBayesRunSimulPairs:
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.models = [mod for (_, mod) in models_with_names]
self.model_names = [name for (name, _) in models_with_names]
self.actual_model = actual_model
self.model_count = len(self.discretisations)
self.n: int
try:
self.n = self.actual_model.n # type: ignore
except AttributeError:
self.n = 1
self.model_count = len(self.models)
self.monte_carlo_count = monte_carlo_count
self.monte_carlo_cycles = monte_carlo_cycles
self.target_success = target_success
@ -139,7 +142,16 @@ class AltBayesRunSimulPairs:
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.csv_fields = []
for i in range(self.n):
self.csv_fields.extend(
[
f"dipole_moment_{i+1}",
f"dipole_location_{i+1}",
f"dipole_frequency_{i+1}",
]
)
self.compensate_zeros = True
self.chunksize = chunksize
for name in self.model_names:
@ -174,11 +186,8 @@ class AltBayesRunSimulPairs:
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)
actual_dipoles = self.actual_model.get_dipoles(self.max_frequency)
dots = actual_dipoles.get_percent_range_dot_measurements(
self.dot_inputs, self.low_error, self.high_error
@ -208,9 +217,9 @@ class AltBayesRunSimulPairs:
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}")
_logger.debug("Going to iterate over models now")
for model_count, model in enumerate(self.models):
_logger.debug(f"Doing model #{model_count}")
core_count = multiprocessing.cpu_count() - 1 or 1
with multiprocessing.Pool(core_count) as pool:
@ -223,7 +232,7 @@ class AltBayesRunSimulPairs:
<= 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
@ -241,7 +250,7 @@ class AltBayesRunSimulPairs:
get_a_simul_result_using_pairs,
[
(
discretisation,
model,
self.dot_inputs_array,
self.dot_pair_inputs_array,
lows,
@ -264,20 +273,36 @@ class AltBayesRunSimulPairs:
cycle_success_no_pairs += current_success_no_pairs
cycle_success_pairs += current_success_pairs
_logger.debug(
f"(pair, no_pair) successes are {(cycle_success_pairs, cycle_success_no_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,
"dipole_moment_1": actual_dipoles.dipoles[0].p,
"dipole_location_1": actual_dipoles.dipoles[0].s,
"dipole_frequency_1": 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,
"dipole_moment_1": actual_dipoles.dipoles[0].p,
"dipole_location_1": actual_dipoles.dipoles[0].s,
"dipole_frequency_1": actual_dipoles.dipoles[0].w,
}
for i in range(1, self.n):
try:
current_dipoles = actual_dipoles.dipoles[i]
row_pairs[f"dipole_moment_{i+1}"] = current_dipoles.p
row_pairs[f"dipole_location_{i+1}"] = current_dipoles.s
row_pairs[f"dipole_frequency_{i+1}"] = current_dipoles.w
row_no_pairs[f"dipole_moment_{i+1}"] = current_dipoles.p
row_no_pairs[f"dipole_location_{i+1}"] = current_dipoles.s
row_no_pairs[f"dipole_frequency_{i+1}"] = current_dipoles.w
except IndexError:
_logger.info(f"Not writing anymore, saw end after {i}")
break
successes_pairs: List[float] = []
successes_no_pairs: List[float] = []
counts: List[int] = []

View File

@ -1,160 +0,0 @@
from pdme.measurement import OscillatingDipole, OscillatingDipoleArrangement
import pdme
from deepdog.bayes_run import DotInput
import datetime
import numpy
from dataclasses import dataclass
import logging
from typing import Sequence, Tuple
import csv
import itertools
import multiprocessing
_logger = logging.getLogger(__name__)
def get_a_result(discretisation, dots, index):
return (index, discretisation.solve_for_index(dots, index))
@dataclass
class SingleDipoleDiagnostic:
model: str
index: Tuple
bounds: Tuple
actual_dipole: OscillatingDipole
result_dipole: OscillatingDipole
success: bool
def __post_init__(self) -> None:
self.p_actual_x = self.actual_dipole.p[0]
self.p_actual_y = self.actual_dipole.p[1]
self.p_actual_z = self.actual_dipole.p[2]
self.s_actual_x = self.actual_dipole.s[0]
self.s_actual_y = self.actual_dipole.s[1]
self.s_actual_z = self.actual_dipole.s[2]
self.p_result_x = self.result_dipole.p[0]
self.p_result_y = self.result_dipole.p[1]
self.p_result_z = self.result_dipole.p[2]
self.s_result_x = self.result_dipole.s[0]
self.s_result_y = self.result_dipole.s[1]
self.s_result_z = self.result_dipole.s[2]
self.w_actual = self.actual_dipole.w
self.w_result = self.result_dipole.w
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.
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,
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",
]
timestamp = datetime.datetime.now().strftime("%Y%m%d-%H%M%S")
self.filename = f"{timestamp}-{filename_slug}.diag.csv"
def go(self):
with open(self.filename, "a", newline="") as outfile:
# csv fields
writer = csv.DictWriter(outfile, fieldnames=self.csv_fields, dialect="unix")
writer.writeheader()
for (name, discretisation) in self.discretisations_with_names:
_logger.info(f"Working on discretisation {name}")
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(),
),
)
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,
)
row = vars(diag_row)
_logger.debug(f"Writing result {row}")
writer.writerow(row)

8
poetry.lock generated
View File

@ -335,7 +335,7 @@ python-versions = "!=3.0.*,!=3.1.*,!=3.2.*,!=3.3.*,!=3.4.*,>=2.7"
[[package]]
name = "pdme"
version = "0.6.2"
version = "0.8.2"
description = "Python dipole model evaluator"
category = "main"
optional = false
@ -740,7 +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 = "98877f53c0ca996cd6eaa2c3b7391e391d29c7a4d3f1e08159fc999a3e4ad296"
content-hash = "c1b27cf9297e4777e78a72caba5f560be87a0f3b27c001b7a05b18adfdca2d1c"
[metadata.files]
atomicwrites = [
@ -1025,8 +1025,8 @@ pathspec = [
{file = "pathspec-0.9.0.tar.gz", hash = "sha256:e564499435a2673d586f6b2130bb5b95f04a3ba06f81b8f895b651a3c76aabb1"},
]
pdme = [
{file = "pdme-0.6.2-py3-none-any.whl", hash = "sha256:7e81081be243006f86c31d3590a77a529764204b3831b83a939a87025d463e26"},
{file = "pdme-0.6.2.tar.gz", hash = "sha256:59c2a3249338317f22cf268c55c90d06b563d42a9278e2826753f6d491379f67"},
{file = "pdme-0.8.2-py3-none-any.whl", hash = "sha256:872aa43f99d357b8e802036c6de2e529942dd24c76a830142abd0b9ff6fd869c"},
{file = "pdme-0.8.2.tar.gz", hash = "sha256:36a2bef50ab2c24a82c44bd9ded473991332358ab393f46e9e0bb0b83d538a0f"},
]
pkginfo = [
{file = "pkginfo-1.8.2-py2.py3-none-any.whl", hash = "sha256:c24c487c6a7f72c66e816ab1796b96ac6c3d14d49338293d2141664330b55ffc"},

View File

@ -6,7 +6,7 @@ authors = ["Deepak Mallubhotla <dmallubhotla+github@gmail.com>"]
[tool.poetry.dependencies]
python = "^3.8,<3.10"
pdme = "0.6.2"
pdme = "0.8.2"
[tool.poetry.dev-dependencies]
pytest = ">=6"