[WIP] Asktell/variables objectives

.gitignore

@@ -26,3 +26,4 @@ dist/
 .spyproject/
 
 .hypothesis
+.pixi

libensemble/gen_classes/__init__.py

@@ -1,3 +1,2 @@
 from .aposmm import APOSMM  # noqa: F401
 from .sampling import UniformSample, UniformSampleDicts  # noqa: F401
-from .surmise import Surmise  # noqa: F401

libensemble/gen_classes/aposmm.py

@@ -6,7 +6,6 @@
 
 from libensemble.generators import LibensembleGenThreadInterfacer
 from libensemble.message_numbers import EVAL_GEN_TAG, PERSIS_STOP
-from libensemble.tools import add_unique_random_streams
 
 
 class APOSMM(LibensembleGenThreadInterfacer):
@@ -15,24 +14,36 @@ class APOSMM(LibensembleGenThreadInterfacer):
     """
 
     def __init__(
-        self, History: npt.NDArray = [], persis_info: dict = {}, gen_specs: dict = {}, libE_info: dict = {}, **kwargs
+        self,
+        variables: dict,
+        objectives: dict,
+        History: npt.NDArray = [],
+        persis_info: dict = {},
+        gen_specs: dict = {},
+        libE_info: dict = {},
+        **kwargs
     ) -> None:
         from libensemble.gen_funcs.persistent_aposmm import aposmm
 
+        self.variables = variables
+        self.objectives = objectives
+
         gen_specs["gen_f"] = aposmm
+
         if not gen_specs.get("out"):  # gen_specs never especially changes for aposmm even as the problem varies
-            n = len(kwargs["lb"]) or len(kwargs["ub"])
+            if not self.variables:
+                self.n = len(kwargs["lb"]) or len(kwargs["ub"])
+            else:
+                self.n = len(self.variables)
             gen_specs["out"] = [
-                ("x", float, n),
-                ("x_on_cube", float, n),
+                ("x", float, self.n),
+                ("x_on_cube", float, self.n),
                 ("sim_id", int),
                 ("local_min", bool),
                 ("local_pt", bool),
             ]
             gen_specs["persis_in"] = ["x", "f", "local_pt", "sim_id", "sim_ended", "x_on_cube", "local_min"]
-        if not persis_info:
-            persis_info = add_unique_random_streams({}, 2, seed=4321)[1]
-        super().__init__(History, persis_info, gen_specs, libE_info, **kwargs)
+        super().__init__(variables, objectives, History, persis_info, gen_specs, libE_info, **kwargs)
         if not self.persis_info.get("nworkers"):
             self.persis_info["nworkers"] = kwargs.get("nworkers", gen_specs["user"]["max_active_runs"])
         self.all_local_minima = []

libensemble/gen_classes/sampling.py

@@ -3,6 +3,7 @@
 import numpy as np
 
 from libensemble.generators import Generator, LibensembleGenerator
+from libensemble.utils.misc import list_dicts_to_np
 
 __all__ = [
     "UniformSample",
@@ -31,14 +32,16 @@ class UniformSample(SampleBase):
     mode by adjusting the allocation function.
     """
 
-    def __init__(self, _=[], persis_info={}, gen_specs={}, libE_info=None, **kwargs):
-        super().__init__(_, persis_info, gen_specs, libE_info, **kwargs)
+    def __init__(self, variables: dict, objectives: dict, _=[], persis_info={}, gen_specs={}, libE_info=None, **kwargs):
+        super().__init__(variables, objectives, _, persis_info, gen_specs, libE_info, **kwargs)
         self._get_user_params(self.gen_specs["user"])
 
     def ask_numpy(self, n_trials):
-        H_o = np.zeros(n_trials, dtype=self.gen_specs["out"])
-        H_o["x"] = self.persis_info["rand_stream"].uniform(self.lb, self.ub, (n_trials, self.n))
-        return H_o
+        return list_dicts_to_np(
+            UniformSampleDicts(
+                self.variables, self.objectives, self.History, self.persis_info, self.gen_specs, self.libE_info
+            ).ask(n_trials)
+        )
 
     def tell_numpy(self, calc_in):
         pass  # random sample so nothing to tell
@@ -53,31 +56,23 @@ class UniformSampleDicts(Generator):
     sampled points the first time it is called. Afterwards, it returns the
     number of points given. This can be used in either a batch or asynchronous
     mode by adjusting the allocation function.
+
+    This currently adheres to the complete standard.
     """
 
-    def __init__(self, _, persis_info, gen_specs, libE_info=None, **kwargs):
+    def __init__(self, variables: dict, objectives: dict, _, persis_info, gen_specs, libE_info=None, **kwargs):
+        self.variables = variables
         self.gen_specs = gen_specs
         self.persis_info = persis_info
-        self._get_user_params(self.gen_specs["user"])
 
     def ask(self, n_trials):
         H_o = []
         for _ in range(n_trials):
-            # using same rand number stream
-            trial = {"x": self.persis_info["rand_stream"].uniform(self.lb, self.ub, self.n)}
+            trial = {}
+            for key in self.variables.keys():
+                trial[key] = self.persis_info["rand_stream"].uniform(self.variables[key][0], self.variables[key][1])
             H_o.append(trial)
         return H_o
 
     def tell(self, calc_in):
         pass  # random sample so nothing to tell
-
-    # Duplicated for now
-    def _get_user_params(self, user_specs):
-        """Extract user params"""
-        # b = user_specs["initial_batch_size"]
-        self.ub = user_specs["ub"]
-        self.lb = user_specs["lb"]
-        self.n = len(self.lb)  # dimension
-        assert isinstance(self.n, int), "Dimension must be an integer"
-        assert isinstance(self.lb, np.ndarray), "lb must be a numpy array"
-        assert isinstance(self.ub, np.ndarray), "ub must be a numpy array"

libensemble/generators.py

@@ -23,6 +23,10 @@
 """
 
 
+class GeneratorNotStartedException(Exception):
+    """Exception raised by a threaded/multiprocessed generator upon being asked without having been started"""
+
+
 class Generator(ABC):
     """
 
@@ -33,9 +37,9 @@ class Generator(ABC):
 
 
         class MyGenerator(Generator):
-            def __init__(self, param):
+            def __init__(self, variables, objectives, param):
                 self.param = param
-                self.model = None
+                self.model = create_model(variables, objectives, self.param)
 
             def ask(self, num_points):
                 return create_points(num_points, self.param)
@@ -48,12 +52,15 @@ def final_tell(self, results):
                 return list(self.model)
 
 
-        my_generator = MyGenerator(my_parameter=100)
+        variables = {"a": [-1, 1], "b": [-2, 2]}
+        objectives = {"f": "MINIMIZE"}
+
+        my_generator = MyGenerator(variables, objectives, my_parameter=100)
         gen_specs = GenSpecs(generator=my_generator, ...)
     """
 
     @abstractmethod
-    def __init__(self, *args, **kwargs):
+    def __init__(self, variables: dict[str, List[float]], objectives: dict[str, str], *args, **kwargs):
         """
         Initialize the Generator object on the user-side. Constants, class-attributes,
         and preparation goes here.
@@ -95,12 +102,45 @@ class LibensembleGenerator(Generator):
     """
 
     def __init__(
-        self, History: npt.NDArray = [], persis_info: dict = {}, gen_specs: dict = {}, libE_info: dict = {}, **kwargs
+        self,
+        variables: dict,
+        objectives: dict = {},
+        History: npt.NDArray = [],
+        persis_info: dict = {},
+        gen_specs: dict = {},
+        libE_info: dict = {},
+        **kwargs,
     ):
+        self.variables = variables
+        self.objectives = objectives
+        self.History = History
         self.gen_specs = gen_specs
+        self.libE_info = libE_info
+
+        self.variables_mapping = kwargs.get("variables_mapping", {})
+
+        self._internal_variable = "x"  # need to figure these out dynamically
+        self._internal_objective = "f"
+
+        if self.variables:
+
+            self.n = len(self.variables)
+            # build our own lb and ub
+            if "lb" not in kwargs and "ub" not in kwargs:
+                lb = []
+                ub = []
+                for i, v in enumerate(self.variables.values()):
+                    if isinstance(v, list) and (isinstance(v[0], int) or isinstance(v[0], float)):
+                        lb.append(v[0])
+                        ub.append(v[1])
+                kwargs["lb"] = np.array(lb)
+                kwargs["ub"] = np.array(ub)
+
         if len(kwargs) > 0:  # so user can specify gen-specific parameters as kwargs to constructor
-            self.gen_specs["user"] = kwargs
-        if not persis_info:
+            if not self.gen_specs.get("user"):
+                self.gen_specs["user"] = {}
+            self.gen_specs["user"].update(kwargs)
+        if not persis_info.get("rand_stream"):
             self.persis_info = add_unique_random_streams({}, 4, seed=4321)[1]
         else:
             self.persis_info = persis_info
@@ -122,13 +162,13 @@ def convert_np_types(dict_list):
 
     def ask(self, num_points: Optional[int] = 0) -> List[dict]:
         """Request the next set of points to evaluate."""
-        return LibensembleGenerator.convert_np_types(np_to_list_dicts(self.ask_numpy(num_points)))
+        return LibensembleGenerator.convert_np_types(
+            np_to_list_dicts(self.ask_numpy(num_points), mapping=self.variables_mapping)
+        )
 
     def tell(self, results: List[dict]) -> None:
         """Send the results of evaluations to the generator."""
-        self.tell_numpy(list_dicts_to_np(results))
-        # Note that although we'd prefer to have a complete dtype available, the gen
-        # doesn't have access to sim_specs["out"] currently.
+        self.tell_numpy(list_dicts_to_np(results, mapping=self.variables_mapping))
 
 
 class LibensembleGenThreadInterfacer(LibensembleGenerator):
@@ -137,19 +177,23 @@ class LibensembleGenThreadInterfacer(LibensembleGenerator):
     """
 
     def __init__(
-        self, History: npt.NDArray = [], persis_info: dict = {}, gen_specs: dict = {}, libE_info: dict = {}, **kwargs
+        self,
+        variables: dict,
+        objectives: dict = {},
+        History: npt.NDArray = [],
+        persis_info: dict = {},
+        gen_specs: dict = {},
+        libE_info: dict = {},
+        **kwargs,
     ) -> None:
-        super().__init__(History, persis_info, gen_specs, libE_info, **kwargs)
+        super().__init__(variables, objectives, History, persis_info, gen_specs, libE_info, **kwargs)
         self.gen_f = gen_specs["gen_f"]
         self.History = History
-        self.persis_info = persis_info
         self.libE_info = libE_info
         self.thread = None
 
     def setup(self) -> None:
         """Must be called once before calling ask/tell. Initializes the background thread."""
-        # self.inbox = thread_queue.Queue()  # sending betweween HERE and gen
-        # self.outbox = thread_queue.Queue()
         self.m = Manager()
         self.inbox = self.m.Queue()
         self.outbox = self.m.Queue()
@@ -158,16 +202,6 @@ def setup(self) -> None:
         self.libE_info["comm"] = comm  # replacing comm so gen sends HERE instead of manager
         self.libE_info["executor"] = Executor.executor
 
-        # self.thread = QCommThread(  # TRY A PROCESS
-        #     self.gen_f,
-        #     None,
-        #     self.History,
-        #     self.persis_info,
-        #     self.gen_specs,
-        #     self.libE_info,
-        #     user_function=True,
-        # )  # note that self.thread's inbox/outbox are unused by the underlying gen
-
         self.thread = QCommProcess(  # TRY A PROCESS
             self.gen_f,
             None,
@@ -190,11 +224,11 @@ def _set_sim_ended(self, results: npt.NDArray) -> npt.NDArray:
 
     def tell(self, results: List[dict], tag: int = EVAL_GEN_TAG) -> None:
         """Send the results of evaluations to the generator."""
-        self.tell_numpy(list_dicts_to_np(results), tag)
+        self.tell_numpy(list_dicts_to_np(self._objs_and_vars_to_gen_in(results)), tag)
 
     def ask_numpy(self, num_points: int = 0) -> npt.NDArray:
         """Request the next set of points to evaluate, as a NumPy array."""
-        if not self.thread.running:
+        if self.thread is None or not self.thread.running:
             self.thread.run()
         _, ask_full = self.outbox.get()
         return ask_full["calc_out"]