Simulation Specs

Used to specify the simulation function, its inputs and outputs, and user data.

Standardized (gest-api)

from libensemble import SimSpecs
from gest_api.vocs import VOCS
from my_package import my_sim_callable

vocs = VOCS(
    variables={"x": [-3.0, 3.0]},
    objectives={"y": "MINIMIZE"},
)

sim_specs = SimSpecs(
    simulator=my_sim_callable,
    vocs=vocs,
)
...

Classic (sim_f)

from libensemble import SimSpecs
from simulator import sim_find_sine

sim_specs = SimSpecs(
    sim_f=sim_find_sine,
    inputs=["x"],
    outputs=[("y", float)],
    user={"batch": 1234},
)
...

pydantic model libensemble.specs.SimSpecs

Specifications for configuring a Simulation Function.

Fields:

• sim_f (object)

• simulator (object | None)

• inputs (list[str] | None)

• persis_in (list[str] | None)

• outputs (list[tuple])

• globus_compute_endpoint (str | None)

• threaded (bool | None)

• user (dict | None)

• vocs (object | None)

field globus_compute_endpoint: str | None = ''

A Globus Compute (https://www.globus.org/compute) ID corresponding to an active endpoint on a remote system. libEnsemble’s workers will submit simulator function instances to this endpoint instead of calling them locally.

field inputs: list[str] | None = [] (alias 'in')

list of field names out of the complete history to pass into the simulation function upon calling.

field outputs: list[tuple] = [] (alias 'out')

list of 2- or 3-tuples corresponding to NumPy dtypes. e.g. ("dim", int, (3,)), or ("path", str). Typically used to initialize an output array within the simulation function: out = np.zeros(100, dtype=sim_specs["out"]). Also necessary to construct libEnsemble’s history array.

field persis_in: list[str] | None = []

list of field names to send to a persistent simulation function throughout the run, following initialization.

field sim_f: object = None

Python function matching the sim_f interface. Evaluates parameters produced by a generator function.

field simulator: object | None = None

A callable (function) in gest-api format. When provided, sim_f defaults to the gest_api_sim wrapper.

field threaded: bool | None = False

Instruct Worker process to launch user function to a thread.

field user: dict | None = {}

A user-data dictionary to place bounds, constants, settings, or other parameters for customizing the simulator function.

field vocs: object | None = None

A VOCS object. If provided and inputs/outputs are not explicitly set, they will be automatically derived from VOCS.