chore(deps): update dependency numpy to v1.26.4

CHANGELOG.md

@@ -2,6 +2,31 @@
 
 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.
 
+## [1.3.0](https://gitea.deepak.science:2222/physics/deepdog/compare/1.2.1...1.3.0) (2024-05-20)
+
+
+### Features
+
+* add multi run to wrap multi model and repeat runs ([92b49fc](https://gitea.deepak.science:2222/physics/deepdog/commit/92b49fce7c86f14484deb1c4aaaa810a6f69c08a))
+* adds a filter that works with cost functions ([8845b28](https://gitea.deepak.science:2222/physics/deepdog/commit/8845b2875f2c91c91dd3988fabda26400c59b2d7))
+* improve initial cost calculation to allow multiprocessing, adds ability to specify a number of levels to do with direct mc instead of subset simulation ([09fad2e](https://gitea.deepak.science:2222/physics/deepdog/commit/09fad2e1024d9237a6a4f7931f51cb4c84b83bf8))
+
+
+### Bug Fixes
+
+* Adds ugly hack for stdevs for this uniform range to multiply by root3, proper fix would be in pdme ([b1c01b2](https://gitea.deepak.science:2222/physics/deepdog/commit/b1c01b25c8f2c3947be23f5b2c656c37437dab17))
+* fix seeding to avoid recreating seed combinations across multi runs ([24ac65b](https://gitea.deepak.science:2222/physics/deepdog/commit/24ac65bf9c74c454fec826ca9de640fe095f5a17))
+
+### [1.2.1](https://gitea.deepak.science:2222/physics/deepdog/compare/1.2.0...1.2.1) (2024-05-12)
+
+## [1.2.0](https://gitea.deepak.science:2222/physics/deepdog/compare/1.1.0...1.2.0) (2024-05-09)
+
+
+### Features
+
+* adds additional matching regexes ([dc1d2d4](https://gitea.deepak.science:2222/physics/deepdog/commit/dc1d2d45a3e631c5efccce80f8a24fa87c6089e0))
+* adds magnitude enabled parsing option ([f0e2fa3](https://gitea.deepak.science:2222/physics/deepdog/commit/f0e2fa3da9f5a5136908d691137a904fda4e3a9a))
+
 ## [1.1.0](https://gitea.deepak.science:2222/physics/deepdog/compare/1.0.1...1.1.0) (2024-05-03)
 
 

deepdog/cli/probs/main.py

@@ -72,6 +72,7 @@ def main(args: argparse.Namespace):
 			for f in tqdm.tqdm(out_files, desc="reading files", leave=False)
 		]
 
+		# Refactor here to allow for arbitrary likelihood file sources
 		_logger.info("building uncoalesced dict")
 		uncoalesced_dict = deepdog.cli.probs.dicts.build_model_dict(parsed_output_files)
 

deepdog/direct_monte_carlo/cost_function_filter.py

@@ -0,0 +1,24 @@
+from deepdog.direct_monte_carlo.direct_mc import DirectMonteCarloFilter
+from typing import Callable
+import numpy
+
+
+class CostFunctionTargetFilter(DirectMonteCarloFilter):
+	def __init__(
+		self,
+		cost_function: Callable[[numpy.ndarray], numpy.ndarray],
+		target_cost: float,
+	):
+		"""
+		Filters dipoles by cost, only leaving dipoles with cost below target_cost
+		"""
+		self.cost_function = cost_function
+		self.target_cost = target_cost
+
+	def filter_samples(self, samples: numpy.ndarray) -> numpy.ndarray:
+		current_sample = samples
+
+		costs = self.cost_function(current_sample)
+
+		current_sample = current_sample[costs < self.target_cost]
+		return current_sample

deepdog/indexify/__init__.py

@@ -31,10 +31,10 @@ class Indexifier:
 
 	def __init__(self, list_dict: typing.Dict[str, typing.Sequence]):
 		self.dict = list_dict
+		self.product_dict = _dict_product(self.dict)
 
 	def indexify(self, n: int) -> typing.Dict[str, typing.Any]:
-		product_dict = _dict_product(self.dict)
+		return self.product_dict[n]
-		return product_dict[n]
 
 	def _indexify_indices(self, n: int) -> typing.Sequence[int]:
 		"""

deepdog/results/__init__.py

@@ -8,17 +8,30 @@ import csv
 
 _logger = logging.getLogger(__name__)
 
-FILENAME_REGEX = r"(?P<timestamp>\d{8}-\d{6})-(?P<filename_slug>.*)\.realdata\.fast_filter\.bayesrun\.csv"
+FILENAME_REGEX = re.compile(
+	r"(?P<timestamp>\d{8}-\d{6})-(?P<filename_slug>.*)\.realdata\.fast_filter\.bayesrun\.csv"
+)
 
 MODEL_REGEXES = [
-	r"geom_(?P<xmin>-?\d+)_(?P<xmax>-?\d+)_(?P<ymin>-?\d+)_(?P<ymax>-?\d+)_(?P<zmin>-?\d+)_(?P<zmax>-?\d+)-orientation_(?P<orientation>free|fixedxy|fixedz)-dipole_count_(?P<avg_filled>\d+)_(?P<field_name>\w*)"
+	re.compile(pattern)
+	for pattern in [
+		r"geom_(?P<xmin>-?\d+)_(?P<xmax>-?\d+)_(?P<ymin>-?\d+)_(?P<ymax>-?\d+)_(?P<zmin>-?\d+)_(?P<zmax>-?\d+)-orientation_(?P<orientation>free|fixedxy|fixedz)-dipole_count_(?P<avg_filled>\d+)_(?P<field_name>\w*)",
+		r"geom_(?P<xmin>-?\d+)_(?P<xmax>-?\d+)_(?P<ymin>-?\d+)_(?P<ymax>-?\d+)_(?P<zmin>-?\d+)_(?P<zmax>-?\d+)-magnitude_(?P<log_magnitude>\d*\.?\d+)-orientation_(?P<orientation>free|fixedxy|fixedz)-dipole_count_(?P<avg_filled>\d+)_(?P<field_name>\w*)",
+		r"geom_(?P<xmin>-?\d*\.?\d+)_(?P<xmax>-?\d*\.?\d+)_(?P<ymin>-?\d*\.?\d+)_(?P<ymax>-?\d*\.?\d+)_(?P<zmin>-?\d*\.?\d+)_(?P<zmax>-?\d*\.?\d+)-magnitude_(?P<log_magnitude>\d*\.?\d+)-orientation_(?P<orientation>free|fixedxy|fixedz)-dipole_count_(?P<avg_filled>\d+)_(?P<field_name>\w*)",
+	]
 ]
 
 FILE_SLUG_REGEXES = [
+	re.compile(pattern)
+	for pattern in [
+		r"(?P<tag>\w+)-(?P<job_index>\d+)",
 		r"mock_tarucha-(?P<job_index>\d+)",
 		r"(?:(?P<mock>mock)_)?tarucha(?:_(?P<tarucha_run_id>\d+))?-(?P<job_index>\d+)",
+	]
 ]
 
+SIMPLE_TAG_REGEX = re.compile(r"\w+-\d+")
+
 
 @dataclasses.dataclass
 class BayesrunOutputFilename:
@@ -27,7 +40,6 @@ class BayesrunOutputFilename:
 	path: pathlib.Path
 
 
-@dataclasses.dataclass
 class BayesrunColumnParsed:
 	"""
 	class for parsing a bayesrun while pulling certain special fields out
@@ -38,10 +50,21 @@ class BayesrunColumnParsed:
 		self.model_field_dict = {
 			k: v for k, v in groupdict.items() if k != "field_name"
 		}
+		self._groupdict_str = repr(groupdict)
 
 	def __str__(self):
 		return f"BayesrunColumnParsed[{self.column_field}: {self.model_field_dict}]"
 
+	def __repr__(self):
+		return f"BayesrunColumnParsed({self._groupdict_str})"
+
+	def __eq__(self, other):
+		if isinstance(other, BayesrunColumnParsed):
+			return (self.column_field == other.column_field) and (
+				self.model_field_dict == other.model_field_dict
+			)
+		return NotImplemented
+
 
 @dataclasses.dataclass
 class BayesrunModelResult:
@@ -73,7 +96,7 @@ def _parse_bayesrun_column(
 	Returns the groupdict for the first match, or None if no match found.
 	"""
 	for pattern in MODEL_REGEXES:
-		match = re.match(pattern, column)
+		match = pattern.match(column)
 		if match:
 			return BayesrunColumnParsed(match.groupdict())
 	else:
@@ -112,7 +135,7 @@ def _parse_bayesrun_row(
 
 def _parse_output_filename(file: pathlib.Path) -> BayesrunOutputFilename:
 	filename = file.name
-	match = re.match(FILENAME_REGEX, filename)
+	match = FILENAME_REGEX.match(filename)
 	if not match:
 		raise ValueError(f"{filename} was not a valid bayesrun output")
 	groups = match.groupdict()
@@ -123,7 +146,7 @@ def _parse_output_filename(file: pathlib.Path) -> BayesrunOutputFilename:
 
 def _parse_file_slug(slug: str) -> typing.Optional[typing.Dict[str, str]]:
 	for pattern in FILE_SLUG_REGEXES:
-		match = re.match(pattern, slug)
+		match = pattern.match(slug)
 		if match:
 			return match.groupdict()
 	else:

deepdog/subset_simulation/subset_simulation_impl.py

@@ -1,9 +1,11 @@
 import logging
+import multiprocessing
 import numpy
 import pdme.measurement
 import pdme.measurement.input_types
+import pdme.model
 import pdme.subspace_simulation
-from typing import Sequence, Tuple, Optional
+from typing import Sequence, Tuple, Optional, Callable, Union, List
 
 from dataclasses import dataclass
 
@@ -18,47 +20,63 @@ class SubsetSimulationResult:
 	under_target_cost: Optional[float]
 	under_target_likelihood: Optional[float]
 	lowest_likelihood: Optional[float]
+	messages: Sequence[str]
+
+
+@dataclass
+class MultiSubsetSimulationResult:
+	child_results: Sequence[SubsetSimulationResult]
+	model_name: str
+	estimated_likelihood: float
+	arithmetic_mean_estimated_likelihood: float
+	num_children: int
+	num_finished_children: int
+	clean_estimate: bool
 
 
 class SubsetSimulation:
 	def __init__(
 		self,
 		model_name_pair,
-		dot_inputs,
+		# actual_measurements: Sequence[pdme.measurement.DotMeasurement],
-		actual_measurements: Sequence[pdme.measurement.DotMeasurement],
+		cost_function: Callable[[numpy.ndarray], numpy.ndarray],
 		n_c: int,
 		n_s: int,
 		m_max: int,
 		target_cost: Optional[float] = None,
-		level_0_seed: int = 200,
+		level_0_seed: Union[int, Sequence[int]] = 200,
-		mcmc_seed: int = 20,
+		mcmc_seed: Union[int, Sequence[int]] = 20,
 		use_adaptive_steps=True,
 		default_phi_step=0.01,
 		default_theta_step=0.01,
 		default_r_step=0.01,
 		default_w_log_step=0.01,
 		default_upper_w_log_step=4,
+		num_initial_dmc_gens=1,
 		keep_probs_list=True,
 		dump_last_generation_to_file=False,
 		initial_cost_chunk_size=100,
+		initial_cost_multiprocess=True,
+		cap_core_count: int = 0,  # 0 means cap at num cores - 1
 	):
 		name, model = model_name_pair
 		self.model_name = name
 		self.model = model
 		_logger.info(f"got model {self.model_name}")
 
-		self.dot_inputs_array = pdme.measurement.input_types.dot_inputs_to_array(
+		# dot_inputs = [(meas.r, meas.f) for meas in actual_measurements]
-			dot_inputs
+		# self.dot_inputs_array = pdme.measurement.input_types.dot_inputs_to_array(
-		)
+		# 	dot_inputs
+		# )
 		# _logger.debug(f"actual measurements: {actual_measurements}")
-		self.actual_measurement_array = numpy.array([m.v for m in actual_measurements])
+		# self.actual_measurement_array = numpy.array([m.v for m in actual_measurements])
 
-		def cost_function_to_use(dipoles_to_test):
+		# def cost_function_to_use(dipoles_to_test):
-			return pdme.subspace_simulation.proportional_costs_vs_actual_measurement(
+		# 	return pdme.subspace_simulation.proportional_costs_vs_actual_measurement(
-				self.dot_inputs_array, self.actual_measurement_array, dipoles_to_test
+		# 		self.dot_inputs_array, self.actual_measurement_array, dipoles_to_test
-			)
+		# 	)
 
-		self.cost_function_to_use = cost_function_to_use
+		self.cost_function_to_use = cost_function
 
 		self.n_c = n_c
 		self.n_s = n_s
@@ -68,16 +86,25 @@ class SubsetSimulation:
 		self.mcmc_seed = mcmc_seed
 
 		self.use_adaptive_steps = use_adaptive_steps
-		self.default_phi_step = default_phi_step
+		self.default_phi_step = (
+			default_phi_step * 1.73
+		)  # this is a hack to fix a missing sqrt 3 in the proposal function code.
 		self.default_theta_step = default_theta_step
-		self.default_r_step = default_r_step
+		self.default_r_step = (
-		self.default_w_log_step = default_w_log_step
+			default_r_step * 1.73
+		)  # this is a hack to fix a missing sqrt 3 in the proposal function code.
+		self.default_w_log_step = (
+			default_w_log_step * 1.73
+		)  # this is a hack to fix a missing sqrt 3 in the proposal function code.
 		self.default_upper_w_log_step = default_upper_w_log_step
 
 		_logger.info("using params:")
 		_logger.info(f"\tn_c: {self.n_c}")
 		_logger.info(f"\tn_s: {self.n_s}")
 		_logger.info(f"\tm: {self.m_max}")
+		_logger.info(f"\t{num_initial_dmc_gens=}")
+		_logger.info(f"\t{mcmc_seed=}")
+		_logger.info(f"\t{level_0_seed=}")
 		_logger.info("let's do level 0...")
 
 		self.target_cost = target_cost
@@ -87,44 +114,91 @@ class SubsetSimulation:
 		self.dump_last_generations = dump_last_generation_to_file
 
 		self.initial_cost_chunk_size = initial_cost_chunk_size
+		self.initial_cost_multiprocess = initial_cost_multiprocess
+
+		self.cap_core_count = cap_core_count
+
+		self.num_dmc_gens = num_initial_dmc_gens
+
+	def _single_chain_gen(self, args: Tuple):
+		threshold_cost, stdevs, rng_seed, (c, s) = args
+		rng = numpy.random.default_rng(rng_seed)
+		return self.model.get_repeat_counting_mcmc_chain(
+			s,
+			self.cost_function_to_use,
+			self.n_s,
+			threshold_cost,
+			stdevs,
+			initial_cost=c,
+			rng_arg=rng,
+		)
 
 	def execute(self) -> SubsetSimulationResult:
 
 		probs_list = []
 
+		output_messages = []
+
+		# If we have n_s = 10 and n_c = 100, then our big N = 1000 and p = 1/10
+		# The DMC stage would normally generate 1000, then pick the best 100 and start counting prob = p/10.
+		# Let's say we want our DMC stage to go down to level 2.
+		# Then we need to filter out p^2, so our initial has to be N_0 = N / p = n_c * n_s^2
+		initial_dmc_n = self.n_c * (self.n_s**self.num_dmc_gens)
+		initial_level = (
+			self.num_dmc_gens - 1
+		)  # This is perfunctory but let's label it here really explicitly
+		_logger.info(f"Generating {initial_dmc_n} for DMC stage")
 		sample_dipoles = self.model.get_monte_carlo_dipole_inputs(
-			self.n_c * self.n_s,
+			initial_dmc_n,
 			-1,
 			rng_to_use=numpy.random.default_rng(self.level_0_seed),
 		)
 		# _logger.debug(sample_dipoles)
 		# _logger.debug(sample_dipoles.shape)
 
-		raw_costs = []
+		_logger.debug("Finished dipole generation")
 		_logger.debug(
-			f"Using iterated cost function thing with chunk size {self.initial_cost_chunk_size}"
+			f"Using iterated multiprocessing cost function thing with chunk size {self.initial_cost_chunk_size}"
 		)
 
-		for x in range(0, len(sample_dipoles), self.initial_cost_chunk_size):
+		# core count etc. logic here
-			_logger.debug(f"doing chunk {x}")
+		core_count = multiprocessing.cpu_count() - 1 or 1
-			raw_costs.extend(
+		if (self.cap_core_count >= 1) and (self.cap_core_count < core_count):
-				self.cost_function_to_use(
+			core_count = self.cap_core_count
-					sample_dipoles[x : x + self.initial_cost_chunk_size]
+		_logger.info(f"Using {core_count} cores")
-				)
-			)
-		costs = numpy.array(raw_costs)
 
-		_logger.debug(f"costs: {costs}")
+		with multiprocessing.Pool(core_count) as pool:
+
+			# Do the initial DMC calculation in a multiprocessing
+
+			chunks = numpy.array_split(
+				sample_dipoles,
+				range(
+					self.initial_cost_chunk_size,
+					len(sample_dipoles),
+					self.initial_cost_chunk_size,
+				),
+			)
+			if self.initial_cost_multiprocess:
+				_logger.debug("Multiprocessing initial costs")
+				raw_costs = pool.map(self.cost_function_to_use, chunks)
+			else:
+				_logger.debug("Single process initial costs")
+				raw_costs = []
+				for chunk_idx, chunk in enumerate(chunks):
+					_logger.debug(f"doing chunk #{chunk_idx}")
+					raw_costs.append(self.cost_function_to_use(chunk))
+			costs = numpy.concatenate(raw_costs)
+			_logger.debug("finished initial dmc cost calculation")
+			# _logger.debug(f"costs: {costs}")
 			sorted_indexes = costs.argsort()[::-1]
 
-		_logger.debug(costs[sorted_indexes])
+			# _logger.debug(costs[sorted_indexes])
-		_logger.debug(sample_dipoles[sorted_indexes])
+			# _logger.debug(sample_dipoles[sorted_indexes])
 
 			sorted_costs = costs[sorted_indexes]
 			sorted_dipoles = sample_dipoles[sorted_indexes]
 
-		threshold_cost = sorted_costs[-self.n_c]
-
 			all_dipoles = numpy.array(
 				[
 					pdme.subspace_simulation.sort_array_of_dipoles_by_frequency(samp)
@@ -132,10 +206,36 @@ class SubsetSimulation:
 				]
 			)
 			all_chains = list(zip(sorted_costs, all_dipoles))
+			for dmc_level in range(initial_level):
+				# if initial level is 1, we want to print out what the level 0 threshold would have been?
+				_logger.debug(f"Get the pseudo statistics for level {dmc_level}")
+				_logger.debug(f"Whole chain has length {len(all_chains)}")
+				pseudo_threshold_index = -(
+					self.n_c * (self.n_s ** (self.num_dmc_gens - dmc_level - 1))
+				)
+				_logger.debug(
+					f"Have a pseudo_threshold_index of {pseudo_threshold_index}, or {len(all_chains) + pseudo_threshold_index}"
+				)
+				pseudo_threshold_cost = all_chains[-pseudo_threshold_index][0]
+				_logger.info(
+					f"Pseudo-level {dmc_level} threshold cost {pseudo_threshold_cost}, at P = (1 / {self.n_s})^{dmc_level + 1}"
+				)
+				all_chains = all_chains[pseudo_threshold_index:]
 
-		mcmc_rng = numpy.random.default_rng(self.mcmc_seed)
+			long_mcmc_rng = numpy.random.default_rng(self.mcmc_seed)
+			mcmc_rng_seed_sequence = numpy.random.SeedSequence(self.mcmc_seed)
 
-		for i in range(self.m_max):
+			threshold_cost = all_chains[-self.n_c][0]
+			_logger.info(
+				f"Finishing DMC threshold cost {threshold_cost} at level {initial_level}, at P = (1 / {self.n_s})^{initial_level + 1}"
+			)
+			_logger.debug(f"Executing the MCMC with chains of length {len(all_chains)}")
+
+			# Now we move on to the MCMC part of the algorithm
+
+			# This is important, we want to allow some extra initial levels so we need to account for that here!
+			for i in range(self.num_dmc_gens, self.m_max):
+				_logger.info(f"Starting level {i}")
 				next_seeds = all_chains[-self.n_c :]
 
 				if self.dump_last_generations:
@@ -158,7 +258,9 @@ class SubsetSimulation:
 					):
 						# chain = mcmc(s, threshold_cost, n_s, model, dot_inputs_array, actual_measurement_array, mcmc_rng, curr_cost=c, stdevs=stdevs)
 						# until new version gotta do
-					_logger.debug(f"\t{seed_index}: doing long chain on the next seed")
+						_logger.debug(
+							f"\t{seed_index}: doing long chain on the next seed"
+						)
 
 						long_chain = self.model.get_mcmc_chain(
 							s,
@@ -167,7 +269,7 @@ class SubsetSimulation:
 							threshold_cost,
 							stdevs,
 							initial_cost=c,
-						rng_arg=mcmc_rng,
+							rng_arg=long_mcmc_rng,
 						)
 						for _, chained in long_chain:
 							all_long_chains.append(chained)
@@ -184,7 +286,10 @@ class SubsetSimulation:
 					for cost_index, cost_chain in enumerate(all_chains[: -self.n_c]):
 						probs_list.append(
 							(
-							((self.n_c * self.n_s - cost_index) / (self.n_c * self.n_s))
+								(
+									(self.n_c * self.n_s - cost_index)
+									/ (self.n_c * self.n_s)
+								)
 								/ (self.n_s ** (i)),
 								cost_chain[0],
 								i + 1,
@@ -194,31 +299,42 @@ class SubsetSimulation:
 				next_seeds_as_array = numpy.array([s for _, s in next_seeds])
 
 				stdevs = self.get_stdevs_from_arrays(next_seeds_as_array)
-			_logger.info(f"got stdevs: {stdevs.stdevs}")
+				_logger.debug(f"got stdevs, begin: {stdevs.stdevs[:10]}")
 				_logger.debug("Starting the MCMC")
 				all_chains = []
-			for seed_index, (c, s) in enumerate(next_seeds):
+
-				# chain = mcmc(s, threshold_cost, n_s, model, dot_inputs_array, actual_measurement_array, mcmc_rng, curr_cost=c, stdevs=stdevs)
+				seeds = mcmc_rng_seed_sequence.spawn(len(next_seeds))
-				# until new version gotta do
+				pool_results = pool.imap_unordered(
-				_logger.debug(
+					self._single_chain_gen,
-					f"\t{seed_index}: getting another chain from the next seed"
+					[
-				)
+						(threshold_cost, stdevs, rng_seed, test_seed)
-				chain = self.model.get_mcmc_chain(
+						for rng_seed, test_seed in zip(seeds, next_seeds)
-					s,
+					],
-					self.cost_function_to_use,
+					chunksize=50,
-					self.n_s,
-					threshold_cost,
-					stdevs,
-					initial_cost=c,
-					rng_arg=mcmc_rng,
 				)
+
+				# count for ergodicity analysis
+				samples_generated = 0
+				samples_rejected = 0
+
+				for rejected_count, chain in pool_results:
 					for cost, chained in chain:
 						try:
 							filtered_cost = cost[0]
 						except (IndexError, TypeError):
 							filtered_cost = cost
 						all_chains.append((filtered_cost, chained))
+
+					samples_generated += self.n_s
+					samples_rejected += rejected_count
+
 				_logger.debug("finished mcmc")
+				_logger.debug(f"{samples_rejected=} out of {samples_generated=}")
+				if samples_rejected * 2 > samples_generated:
+					reject_ratio = samples_rejected / samples_generated
+					rejectionmessage = f"On level {i}, rejected {samples_rejected} out of {samples_generated}, {reject_ratio=} is too high and may indicate ergodicity problems"
+					output_messages.append(rejectionmessage)
+					_logger.warning(rejectionmessage)
 				# _logger.debug(all_chains)
 
 				all_chains.sort(key=lambda c: c[0], reverse=True)
@@ -228,7 +344,9 @@ class SubsetSimulation:
 				_logger.info(
 					f"current threshold cost: {threshold_cost}, at P = (1 / {self.n_s})^{i + 1}"
 				)
-			if (self.target_cost is not None) and (threshold_cost < self.target_cost):
+				if (self.target_cost is not None) and (
+					threshold_cost < self.target_cost
+				):
 					_logger.info(
 						f"got a threshold cost {threshold_cost}, less than {self.target_cost}. will leave early"
 					)
@@ -236,6 +354,8 @@ class SubsetSimulation:
 					cost_list = [c[0] for c in all_chains]
 					over_index = reverse_bisect_right(cost_list, self.target_cost)
 
+					winner = all_chains[over_index][1]
+					_logger.info(f"Winner obtained: {winner}")
 					shorter_probs_list = []
 					for cost_index, cost_chain in enumerate(all_chains):
 						if self.keep_probs_list:
@@ -253,7 +373,10 @@ class SubsetSimulation:
 						shorter_probs_list.append(
 							(
 								cost_chain[0],
-							((self.n_c * self.n_s - cost_index) / (self.n_c * self.n_s))
+								(
+									(self.n_c * self.n_s - cost_index)
+									/ (self.n_c * self.n_s)
+								)
 								/ (self.n_s ** (i)),
 							)
 						)
@@ -265,6 +388,7 @@ class SubsetSimulation:
 						under_target_cost=shorter_probs_list[over_index][0],
 						under_target_likelihood=shorter_probs_list[over_index][1],
 						lowest_likelihood=shorter_probs_list[-1][1],
+						messages=output_messages,
 					)
 					return result
 
@@ -285,8 +409,8 @@ class SubsetSimulation:
 		_logger.info(
 			f"final threshold cost: {threshold_cost}, at P = (1 / {self.n_s})^{self.m_max + 1}"
 		)
-		for a in all_chains[-10:]:
+		# for a in all_chains[-10:]:
-			_logger.info(a)
+		# 	_logger.info(a)
 		# for prob, prob_cost in probs_list:
 		# 	_logger.info(f"\t{prob}: {prob_cost}")
 		probs_list.sort(key=lambda c: c[0], reverse=True)
@@ -300,6 +424,7 @@ class SubsetSimulation:
 			under_target_cost=None,
 			under_target_likelihood=None,
 			lowest_likelihood=min_likelihood,
+			messages=output_messages,
 		)
 		return result
 
@@ -358,6 +483,116 @@ class SubsetSimulation:
 		return stdevs
 
 
+class MultiSubsetSimulations:
+	def __init__(
+		self,
+		model_name_pairs: Sequence[Tuple[str, pdme.model.DipoleModel]],
+		# actual_measurements: Sequence[pdme.measurement.DotMeasurement],
+		cost_function: Callable[[numpy.ndarray], numpy.ndarray],
+		num_runs: int,
+		n_c: int,
+		n_s: int,
+		m_max: int,
+		target_cost: float,
+		num_initial_dmc_gens: int = 1,
+		level_0_seed_seed: int = 200,
+		mcmc_seed_seed: int = 20,
+		use_adaptive_steps=True,
+		default_phi_step=0.01,
+		default_theta_step=0.01,
+		default_r_step=0.01,
+		default_w_log_step=0.01,
+		default_upper_w_log_step=4,
+		initial_cost_chunk_size=100,
+		cap_core_count: int = 0,  # 0 means cap at num cores - 1
+	):
+		self.model_name_pairs = model_name_pairs
+		self.cost_function = cost_function
+		self.num_runs = num_runs
+		self.n_c = n_c
+		self.n_s = n_s
+		self.m_max = m_max
+		self.target_cost = target_cost  # This is not optional here!
+
+		self.num_dmc_gens = num_initial_dmc_gens
+
+		self.level_0_seed_seed = level_0_seed_seed
+		self.mcmc_seed_seed = mcmc_seed_seed
+
+		self.use_adaptive_steps = use_adaptive_steps
+		self.default_phi_step = default_phi_step
+		self.default_theta_step = default_theta_step
+		self.default_r_step = default_r_step
+		self.default_w_log_step = default_w_log_step
+		self.default_upper_w_log_step = default_upper_w_log_step
+		self.initial_cost_chunk_size = initial_cost_chunk_size
+		self.cap_core_count = cap_core_count
+
+	def execute(self) -> Sequence[MultiSubsetSimulationResult]:
+		output: List[MultiSubsetSimulationResult] = []
+		for model_index, model_name_pair in enumerate(self.model_name_pairs):
+			ss_results = [
+				SubsetSimulation(
+					model_name_pair,
+					self.cost_function,
+					self.n_c,
+					self.n_s,
+					self.m_max,
+					self.target_cost,
+					num_initial_dmc_gens=self.num_dmc_gens,
+					level_0_seed=[model_index, run_index, self.level_0_seed_seed],
+					mcmc_seed=[model_index, run_index, self.mcmc_seed_seed],
+					use_adaptive_steps=self.use_adaptive_steps,
+					default_phi_step=self.default_phi_step,
+					default_theta_step=self.default_theta_step,
+					default_r_step=self.default_r_step,
+					default_w_log_step=self.default_w_log_step,
+					default_upper_w_log_step=self.default_upper_w_log_step,
+					keep_probs_list=False,
+					dump_last_generation_to_file=False,
+					initial_cost_chunk_size=self.initial_cost_chunk_size,
+					cap_core_count=self.cap_core_count,
+				).execute()
+				for run_index in range(self.num_runs)
+			]
+			output.append(coalesce_ss_results(model_name_pair[0], ss_results))
+		return output
+
+
+def coalesce_ss_results(
+	model_name: str, results: Sequence[SubsetSimulationResult]
+) -> MultiSubsetSimulationResult:
+
+	num_finished = sum(1 for res in results if res.under_target_likelihood is not None)
+
+	estimated_likelihoods = numpy.array(
+		[
+			res.under_target_likelihood
+			if res.under_target_likelihood is not None
+			else res.lowest_likelihood
+			for res in results
+		]
+	)
+
+	_logger.info(estimated_likelihoods)
+	geometric_mean_estimated_likelihoods = numpy.exp(
+		numpy.log(estimated_likelihoods).mean()
+	)
+	_logger.info(geometric_mean_estimated_likelihoods)
+	arithmetic_mean_estimated_likelihoods = estimated_likelihoods.mean()
+
+	result = MultiSubsetSimulationResult(
+		child_results=results,
+		model_name=model_name,
+		estimated_likelihood=geometric_mean_estimated_likelihoods,
+		arithmetic_mean_estimated_likelihood=arithmetic_mean_estimated_likelihoods,
+		num_children=len(results),
+		num_finished_children=num_finished,
+		clean_estimate=num_finished == len(results),
+	)
+	return result
+
+
 def reverse_bisect_right(a, x, lo=0, hi=None):
 	"""Return the index where to insert item x in list a, assuming a is sorted in descending order.
 

poetry.lock

@@ -786,13 +786,13 @@ files = [
 
 [[package]]
 name = "pdme"
-version = "1.2.0"
+version = "1.5.0"
 description = "Python dipole model evaluator"
 optional = false
 python-versions = "<3.10,>=3.8.1"
 files = [
-    {file = "pdme-1.2.0-py3-none-any.whl", hash = "sha256:602710a053f22921b4adbc03d46d284149fe2367a65455cde56608708e01c84b"},
+    {file = "pdme-1.5.0-py3-none-any.whl", hash = "sha256:1b4fa30ba98a336957b3029563552d73286a3a5f932809ac1330e65a1f61c363"},
-    {file = "pdme-1.2.0.tar.gz", hash = "sha256:412806d7ae384c048515e0f2cba70252778bf153800829a1d3265a0596872263"},
+    {file = "pdme-1.5.0.tar.gz", hash = "sha256:cc0ac4ffab2994e08b4efde2991c6d9dccb2942c7e33c4be3b52e068366526d1"},
 ]
 
 [package.dependencies]
@@ -1275,4 +1275,4 @@ testing = ["big-O", "jaraco.functools", "jaraco.itertools", "more-itertools", "p
 [metadata]
 lock-version = "2.0"
 python-versions = ">=3.8.1,<3.10"
-content-hash = "918b6736766a9c1b6732a56e1ef2e7a53241f2e25babb884881e49c299801fc9"
+content-hash = "85114054176aa164964acea6fdc085581ee7fc2f94c1cd03ad77611b82e52c79"

pyproject.toml

@@ -1,13 +1,13 @@
 [tool.poetry]
 name = "deepdog"
-version = "1.1.0"
+version = "1.3.0"
 description = ""
 authors = ["Deepak Mallubhotla <dmallubhotla+github@gmail.com>"]
 
 [tool.poetry.dependencies]
 python = ">=3.8.1,<3.10"
-pdme = "^1.2.0"
+pdme = "^1.5.0"
-numpy = "1.22.3"
+numpy = "1.26.4"
 scipy = "1.10"
 tqdm = "^4.66.2"
 

tests/direct_monte_carlo/test_cost_function_filter.py

@@ -0,0 +1,42 @@
+import deepdog.direct_monte_carlo.cost_function_filter
+import numpy
+
+
+def test_px_cost_function_filter_example():
+
+	dipoles_1 = [
+		[1, 2, 3, 4, 5, 6, 7],
+		[2, 3, 2, 5, 4, 7, 6],
+	]
+
+	dipoles_2 = [
+		[15, 9, 8, 7, 6, 5, 3],
+		[30, 4, 4, 7, 3, 1, 4],
+	]
+
+	dipoleses = numpy.array([dipoles_1, dipoles_2])
+
+	def cost_function(dipoleses: numpy.ndarray) -> numpy.ndarray:
+		return dipoleses[:, :, 0].max(axis=-1)
+
+	expected_costs = numpy.array([2, 30])
+
+	numpy.testing.assert_array_equal(cost_function(dipoleses), expected_costs)
+
+	filter = deepdog.direct_monte_carlo.cost_function_filter.CostFunctionTargetFilter(
+		cost_function, 5
+	)
+
+	actual_filtered = filter.filter_samples(dipoleses)
+	expected_filtered = numpy.array([dipoles_1])
+	assert actual_filtered.size != 0
+	numpy.testing.assert_array_equal(actual_filtered, expected_filtered)
+
+	filter_stricter = (
+		deepdog.direct_monte_carlo.cost_function_filter.CostFunctionTargetFilter(
+			cost_function, 0.5
+		)
+	)
+
+	actual_filtered_stricter = filter_stricter.filter_samples(dipoleses)
+	assert actual_filtered_stricter.size == 0

tests/results/test_column_results.py

@@ -7,6 +7,7 @@ def test_parse_groupdict():
 	)
 
 	parsed = deepdog.results._parse_bayesrun_column(example_column_name)
+	assert parsed is not None
 	expected = deepdog.results.BayesrunColumnParsed(
 		{
 			"xmin": "-20",
@@ -23,6 +24,30 @@ def test_parse_groupdict():
 	assert parsed == expected
 
 
+def test_parse_groupdict_with_magnitude():
+	example_column_name = (
+		"geom_-20_20_-10_10_0_5-magnitude_3.5-orientation_free-dipole_count_100_success"
+	)
+
+	parsed = deepdog.results._parse_bayesrun_column(example_column_name)
+	assert parsed is not None
+	expected = deepdog.results.BayesrunColumnParsed(
+		{
+			"xmin": "-20",
+			"xmax": "20",
+			"ymin": "-10",
+			"ymax": "10",
+			"zmin": "0",
+			"zmax": "5",
+			"orientation": "free",
+			"avg_filled": "100",
+			"log_magnitude": "3.5",
+			"field_name": "success",
+		}
+	)
+	assert parsed == expected
+
+
 # def test_parse_no_match_column_name():
 # 	parsed = deepdog.results.parse_bayesrun_column("There's nothing here")
 # 	assert parsed is None

tests/subset_simulation/__snapshots__/test_subset_simulation_coalescing.ambr

@@ -0,0 +1,10 @@
+# serializer version: 1
+# name: test_subset_simulation_multi_result_coalescing_easy_arithmetic
+  MultiSubsetSimulationResult(child_results=[SubsetSimulationResult(probs_list=(), over_target_cost=1, over_target_likelihood=1, under_target_cost=0.99, under_target_likelihood=0.8, lowest_likelihood=0.5, messages=[]), SubsetSimulationResult(probs_list=(), over_target_cost=1, over_target_likelihood=1, under_target_cost=0.99, under_target_likelihood=0.6, lowest_likelihood=0.01, messages=[])], model_name='test', estimated_likelihood=0.6928203230275509, arithmetic_mean_estimated_likelihood=0.7, num_children=2, num_finished_children=2, clean_estimate=True)
+# ---
+# name: test_subset_simulation_multi_result_coalescing_easy_geometric
+  MultiSubsetSimulationResult(child_results=[SubsetSimulationResult(probs_list=(), over_target_cost=1, over_target_likelihood=1, under_target_cost=0.99, under_target_likelihood=0.1, lowest_likelihood=0.5, messages=[]), SubsetSimulationResult(probs_list=(), over_target_cost=1, over_target_likelihood=1, under_target_cost=0.99, under_target_likelihood=0.001, lowest_likelihood=0.01, messages=[])], model_name='test', estimated_likelihood=0.010000000000000004, arithmetic_mean_estimated_likelihood=0.0505, num_children=2, num_finished_children=2, clean_estimate=True)
+# ---
+# name: test_subset_simulation_multi_result_coalescing_include_dirty
+  MultiSubsetSimulationResult(child_results=[SubsetSimulationResult(probs_list=(), over_target_cost=1, over_target_likelihood=1, under_target_cost=0.99, under_target_likelihood=0.8, lowest_likelihood=0.5, messages=[]), SubsetSimulationResult(probs_list=(), over_target_cost=1, over_target_likelihood=1, under_target_cost=0.99, under_target_likelihood=0.08, lowest_likelihood=0.01, messages=[]), SubsetSimulationResult(probs_list=(), over_target_cost=None, over_target_likelihood=None, under_target_cost=None, under_target_likelihood=None, lowest_likelihood=0.0001, messages=[])], model_name='test', estimated_likelihood=0.01856635533445112, arithmetic_mean_estimated_likelihood=0.29336666666666666, num_children=3, num_finished_children=2, clean_estimate=False)
+# ---

tests/subset_simulation/test_subset_simulation_coalescing.py

@@ -0,0 +1,92 @@
+import deepdog.subset_simulation.subset_simulation_impl as impl
+import numpy
+
+
+def test_subset_simulation_multi_result_coalescing_include_dirty(snapshot):
+	res1 = impl.SubsetSimulationResult(
+		probs_list=(),
+		over_target_cost=1,
+		over_target_likelihood=1,
+		under_target_cost=0.99,
+		under_target_likelihood=0.8,
+		lowest_likelihood=0.5,
+		messages=[],
+	)
+
+	res2 = impl.SubsetSimulationResult(
+		probs_list=(),
+		over_target_cost=1,
+		over_target_likelihood=1,
+		under_target_cost=0.99,
+		under_target_likelihood=0.08,
+		lowest_likelihood=0.01,
+		messages=[],
+	)
+
+	res3 = impl.SubsetSimulationResult(
+		probs_list=(),
+		over_target_cost=None,
+		over_target_likelihood=None,
+		under_target_cost=None,
+		under_target_likelihood=None,
+		lowest_likelihood=0.0001,
+		messages=[],
+	)
+
+	combined = impl.coalesce_ss_results("test", [res1, res2, res3])
+
+	assert combined == snapshot
+
+
+def test_subset_simulation_multi_result_coalescing_easy_arithmetic(snapshot):
+	res1 = impl.SubsetSimulationResult(
+		probs_list=(),
+		over_target_cost=1,
+		over_target_likelihood=1,
+		under_target_cost=0.99,
+		under_target_likelihood=0.8,
+		lowest_likelihood=0.5,
+		messages=[],
+	)
+
+	res2 = impl.SubsetSimulationResult(
+		probs_list=(),
+		over_target_cost=1,
+		over_target_likelihood=1,
+		under_target_cost=0.99,
+		under_target_likelihood=0.6,
+		lowest_likelihood=0.01,
+		messages=[],
+	)
+
+	combined = impl.coalesce_ss_results("test", [res1, res2])
+
+	assert combined.arithmetic_mean_estimated_likelihood == 0.7
+	assert combined == snapshot
+
+
+def test_subset_simulation_multi_result_coalescing_easy_geometric(snapshot):
+	res1 = impl.SubsetSimulationResult(
+		probs_list=(),
+		over_target_cost=1,
+		over_target_likelihood=1,
+		under_target_cost=0.99,
+		under_target_likelihood=0.1,
+		lowest_likelihood=0.5,
+		messages=[],
+	)
+
+	res2 = impl.SubsetSimulationResult(
+		probs_list=(),
+		over_target_cost=1,
+		over_target_likelihood=1,
+		under_target_cost=0.99,
+		under_target_likelihood=0.001,
+		lowest_likelihood=0.01,
+		messages=[],
+	)
+
+	combined = impl.coalesce_ss_results("test", [res1, res2])
+
+	numpy.testing.assert_allclose(combined.estimated_likelihood, 0.01)
+	assert combined == snapshot