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feat!: simulpairs now uses different rng calculator

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This commit is contained in:
Deepak Mallubhotla 2022-04-18 12:04:30 -05:00
parent 0954429e2d
commit 50dbc4835e
Signed by: deepak
GPG Key ID: BEBAEBF28083E022
3 changed files with 46 additions and 33 deletions
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23
deepdog/alt_bayes_run_simulpairs.py
View File

@ -10,6 +10,7 @@ import csv
import multiprocessing
import logging
import numpy
import numpy.random
# TODO: remove hardcode
@ -33,9 +34,12 @@ def get_a_simul_result_using_pairs(input) -> numpy.ndarray:
nonlocal_highs,
monte_carlo_count,
max_frequency,
seed,
) = input
rng = numpy.random.default_rng(seed)
sample_dipoles = discretisation.get_model().get_n_single_dipoles(
monte_carlo_count, max_frequency
monte_carlo_count, max_frequency, rng=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)
@ -190,12 +194,17 @@ class AltBayesRunSimulPairs:
_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}")
with multiprocessing.Pool(multiprocessing.cpu_count() - 1 or 1) as pool:
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
@ -210,6 +219,11 @@ class AltBayesRunSimulPairs:
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(core_count)
current_success_both = numpy.array(
sum(
pool.imap_unordered(
@ -225,9 +239,10 @@ class AltBayesRunSimulPairs:
pair_highs,
self.monte_carlo_count,
self.max_frequency,
seed,
)
]
* self.monte_carlo_cycles,
for seed in seeds
],
self.chunksize,
)
)

54
poetry.lock generated
View File

@ -308,7 +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
@ -335,14 +335,14 @@ python-versions = "!=3.0.*,!=3.1.*,!=3.2.*,!=3.3.*,!=3.4.*,>=2.7"
[[package]]
name = "pdme"
version = "0.6.1"
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"
numpy = ">=1.22.3,<2.0.0"
scipy = ">=1.8,<1.9"
[[package]]
@ -740,7 +740,7 @@ testing = ["pytest (>=6)", "pytest-checkdocs (>=2.4)", "pytest-flake8", "pytest-
[metadata]
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content-hash = "c0e8755315fc1edd68ad56018e666926965cc18ff7ddc1c1836310569abf9b58"
[metadata.files]
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@ -1027,8 +1025,8 @@ pathspec = [
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2
pyproject.toml
View File

@ -6,7 +6,7 @@ authors = ["Deepak Mallubhotla <dmallubhotla+github@gmail.com>"]
[tool.poetry.dependencies]
python = "^3.8,<3.10"
pdme = "^0.6.1"
pdme = "0.6.2"
[tool.poetry.dev-dependencies]
pytest = ">=6"