jinns 1.3.0__py3-none-any.whl → 1.4.0__py3-none-any.whl

jinns/loss/_LossODE.py

@@ -1,24 +1,23 @@
-# pylint: disable=unsubscriptable-object, no-member
 """
 Main module to implement a ODE loss in jinns
 """
+
 from __future__ import (
     annotations,
 )  # https://docs.python.org/3/library/typing.html#constant
 
-from dataclasses import InitVar, fields
-from typing import TYPE_CHECKING, Dict
+from dataclasses import InitVar
+from typing import TYPE_CHECKING, TypedDict
+from types import EllipsisType
 import abc
 import warnings
 import jax
 import jax.numpy as jnp
 from jax import vmap
 import equinox as eqx
-from jaxtyping import Float, Array, Int
-from jinns.data._DataGenerators import append_obs_batch
+from jaxtyping import Float, Array
 from jinns.loss._loss_utils import (
     dynamic_loss_apply,
-    constraints_system_loss_apply,
     observations_loss_apply,
 )
 from jinns.parameters._params import (
@@ -26,15 +25,23 @@ from jinns.parameters._params import (
     _update_eq_params_dict,
 )
 from jinns.parameters._derivative_keys import _set_derivatives, DerivativeKeysODE
-from jinns.loss._loss_weights import LossWeightsODE, LossWeightsODEDict
-from jinns.loss._DynamicLossAbstract import ODE
-from jinns.nn._pinn import PINN
+from jinns.loss._loss_weights import LossWeightsODE
+from jinns.loss._abstract_loss import AbstractLoss
 
 if TYPE_CHECKING:
-    from jinns.utils._types import *
+    # imports only used in type hints
+    from jinns.parameters._params import Params
+    from jinns.data._Batchs import ODEBatch
+    from jinns.nn._abstract_pinn import AbstractPINN
+    from jinns.loss import ODE
+
+    class LossDictODE(TypedDict):
+        dyn_loss: Float[Array, " "]
+        initial_condition: Float[Array, " "]
+        observations: Float[Array, " "]
 
 
-class _LossODEAbstract(eqx.Module):
+class _LossODEAbstract(AbstractLoss):
     """
     Parameters
     ----------
@@ -49,14 +56,14 @@ class _LossODEAbstract(eqx.Module):
         Fields can be "nn_params", "eq_params" or "both". Those that should not
         be updated will have a `jax.lax.stop_gradient` called on them. Default
         is `"nn_params"` for each composant of the loss.
-    initial_condition : tuple, default=None
+    initial_condition : tuple[float | Float[Array, " 1"], Float[Array, " dim"]], default=None
         tuple of length 2 with initial condition $(t_0, u_0)$.
-    obs_slice : Slice, default=None
+    obs_slice : EllipsisType | slice | None, default=None
         Slice object specifying the begininning/ending
         slice of u output(s) that is observed. This is useful for
         multidimensional PINN, with partially observed outputs.
         Default is None (whole output is observed).
-    params : InitVar[Params], default=None
+    params : InitVar[Params[Array]], default=None
         The main Params object of the problem needed to instanciate the
         DerivativeKeysODE if the latter is not specified.
     """
@@ -66,24 +73,27 @@ class _LossODEAbstract(eqx.Module):
     # kw_only in base class is motivated here: https://stackoverflow.com/a/69822584
     derivative_keys: DerivativeKeysODE | None = eqx.field(kw_only=True, default=None)
     loss_weights: LossWeightsODE | None = eqx.field(kw_only=True, default=None)
-    initial_condition: tuple | None = eqx.field(kw_only=True, default=None)
-    obs_slice: slice | None = eqx.field(kw_only=True, default=None, static=True)
+    initial_condition: (
+        tuple[float | Float[Array, " 1"], Float[Array, " dim"]] | None
+    ) = eqx.field(kw_only=True, default=None)
+    obs_slice: EllipsisType | slice | None = eqx.field(
+        kw_only=True, default=None, static=True
+    )
 
-    params: InitVar[Params] = eqx.field(default=None, kw_only=True)
+    params: InitVar[Params[Array]] = eqx.field(default=None, kw_only=True)
 
-    def __post_init__(self, params=None):
+    def __post_init__(self, params: Params[Array] | None = None):
         if self.loss_weights is None:
             self.loss_weights = LossWeightsODE()
 
         if self.derivative_keys is None:
-            try:
-                # be default we only take gradient wrt nn_params
-                self.derivative_keys = DerivativeKeysODE(params=params)
-            except ValueError as exc:
+            # by default we only take gradient wrt nn_params
+            if params is None:
                 raise ValueError(
                     "Problem at self.derivative_keys initialization "
                     f"received {self.derivative_keys=} and {params=}"
-                ) from exc
+                )
+            self.derivative_keys = DerivativeKeysODE(params=params)
         if self.initial_condition is None:
             warnings.warn(
                 "Initial condition wasn't provided. Be sure to cover for that"
@@ -98,6 +108,19 @@ class _LossODEAbstract(eqx.Module):
                     "Initial condition should be a tuple of len 2 with (t0, u0), "
                     f"{self.initial_condition} was passed."
                 )
+            # some checks/reshaping for t0
+            t0, u0 = self.initial_condition
+            if isinstance(t0, Array):
+                if not t0.shape:  # e.g. user input: jnp.array(0.)
+                    t0 = jnp.array([t0])
+                elif t0.shape != (1,):
+                    raise ValueError(
+                        f"Wrong t0 input (self.initial_condition[0]) It should be"
+                        f"a float or an array of shape (1,). Got shape: {t0.shape}"
+                    )
+            if isinstance(t0, float):  # e.g. user input: 0
+                t0 = jnp.array([t0])
+            self.initial_condition = (t0, u0)
 
         if self.obs_slice is None:
             self.obs_slice = jnp.s_[...]
@@ -105,10 +128,14 @@ class _LossODEAbstract(eqx.Module):
         if self.loss_weights is None:
             self.loss_weights = LossWeightsODE()
 
+    @abc.abstractmethod
+    def __call__(self, *_, **__):
+        pass
+
     @abc.abstractmethod
     def evaluate(
-        self: eqx.Module, params: Params, batch: ODEBatch
-    ) -> tuple[Float, dict]:
+        self: eqx.Module, params: Params[Array], batch: ODEBatch
+    ) -> tuple[Float[Array, " "], LossDictODE]:
         raise NotImplementedError
 
 
@@ -135,19 +162,19 @@ class LossODE(_LossODEAbstract):
         Fields can be "nn_params", "eq_params" or "both". Those that should not
         be updated will have a `jax.lax.stop_gradient` called on them. Default
         is `"nn_params"` for each composant of the loss.
-    initial_condition : tuple, default=None
+    initial_condition : tuple[float | Float[Array, " 1"]], default=None
         tuple of length 2 with initial condition $(t_0, u_0)$.
-    obs_slice Slice, default=None
+    obs_slice : EllipsisType | slice | None, default=None
         Slice object specifying the begininning/ending
         slice of u output(s) that is observed. This is useful for
         multidimensional PINN, with partially observed outputs.
         Default is None (whole output is observed).
-    params : InitVar[Params], default=None
+    params : InitVar[Params[Array]], default=None
         The main Params object of the problem needed to instanciate the
         DerivativeKeysODE if the latter is not specified.
     u : eqx.Module
         the PINN
-    dynamic_loss : DynamicLoss
+    dynamic_loss : ODE
         the ODE dynamic part of the loss, basically the differential
         operator $\mathcal{N}[u](t)$. Should implement a method
         `dynamic_loss.evaluate(t, u, params)`.
@@ -161,12 +188,12 @@ class LossODE(_LossODEAbstract):
 
     # NOTE static=True only for leaf attributes that are not valid JAX types
     # (ie. jax.Array cannot be static) and that we do not expect to change
-    u: eqx.Module
-    dynamic_loss: DynamicLoss | None
+    u: AbstractPINN
+    dynamic_loss: ODE | None
 
-    vmap_in_axes: tuple[Int] = eqx.field(init=False, static=True)
+    vmap_in_axes: tuple[int] = eqx.field(init=False, static=True)
 
-    def __post_init__(self, params=None):
+    def __post_init__(self, params: Params[Array] | None = None):
         super().__post_init__(
             params=params
         )  # because __init__ or __post_init__ of Base
@@ -178,8 +205,8 @@ class LossODE(_LossODEAbstract):
         return self.evaluate(*args, **kwargs)
 
     def evaluate(
-        self, params: Params, batch: ODEBatch
-    ) -> tuple[Float[Array, "1"], dict[str, float]]:
+        self, params: Params[Array], batch: ODEBatch
+    ) -> tuple[Float[Array, " "], LossDictODE]:
         """
         Evaluate the loss function at a batch of points for given parameters.
 
@@ -210,9 +237,9 @@ class LossODE(_LossODEAbstract):
                 self.dynamic_loss.evaluate,
                 self.u,
                 temporal_batch,
-                _set_derivatives(params, self.derivative_keys.dyn_loss),
+                _set_derivatives(params, self.derivative_keys.dyn_loss),  # type: ignore
                 self.vmap_in_axes + vmap_in_axes_params,
-                self.loss_weights.dyn_loss,
+                self.loss_weights.dyn_loss,  # type: ignore
             )
         else:
             mse_dyn_loss = jnp.array(0.0)
@@ -226,17 +253,17 @@ class LossODE(_LossODEAbstract):
                 v_u = self.u
             else:
                 v_u = vmap(self.u, (None,) + vmap_in_axes_params)
-            t0, u0 = self.initial_condition  # pylint: disable=unpacking-non-sequence
-            t0 = jnp.array([t0])
+            t0, u0 = self.initial_condition
             u0 = jnp.array(u0)
             mse_initial_condition = jnp.mean(
-                self.loss_weights.initial_condition
+                self.loss_weights.initial_condition  # type: ignore
                 * jnp.sum(
                     (
                         v_u(
                             t0,
                             _set_derivatives(
-                                params, self.derivative_keys.initial_condition
+                                params,
+                                self.derivative_keys.initial_condition,  # type: ignore
                             ),
                         )
                         - u0
@@ -255,11 +282,11 @@ class LossODE(_LossODEAbstract):
             # MSE loss wrt to an observed batch
             mse_observation_loss = observations_loss_apply(
                 self.u,
-                (batch.obs_batch_dict["pinn_in"],),
-                _set_derivatives(params, self.derivative_keys.observations),
+                batch.obs_batch_dict["pinn_in"],
+                _set_derivatives(params, self.derivative_keys.observations),  # type: ignore
                 self.vmap_in_axes + vmap_in_axes_params,
                 batch.obs_batch_dict["val"],
-                self.loss_weights.observations,
+                self.loss_weights.observations,  # type: ignore
                 self.obs_slice,
             )
         else:
@@ -274,295 +301,3 @@ class LossODE(_LossODEAbstract):
                 "observations": mse_observation_loss,
             }
         )
-
-
-class SystemLossODE(eqx.Module):
-    r"""
-    Class to implement a system of ODEs.
-    The goal is to give maximum freedom to the user. The class is created with
-    a dict of dynamic loss and a dict of initial conditions. Then, it iterates
-    over the dynamic losses that compose the system. All PINNs are passed as
-    arguments to each dynamic loss evaluate functions, along with all the
-    parameter dictionaries. All specification is left to the responsability
-    of the user, inside the dynamic loss.
-
-    **Note:** All the dictionaries (except `dynamic_loss_dict`) must have the same keys.
-    Indeed, these dictionaries (except `dynamic_loss_dict`) are tied to one
-    solution.
-
-    Parameters
-    ----------
-    u_dict : Dict[str, eqx.Module]
-        dict of PINNs
-    loss_weights : LossWeightsODEDict
-        A dictionary of LossWeightsODE
-    derivative_keys_dict : Dict[str, DerivativeKeysODE], default=None
-        A dictionnary of DerivativeKeysODE specifying what field of `params`
-        should be used during gradient computations for each of the terms of
-        the total loss, for each of the loss in the system. Default is
-        `"nn_params`" everywhere.
-    initial_condition_dict : Dict[str, tuple], default=None
-        dict of tuple of length 2 with initial condition $(t_0, u_0)$
-        Must share the keys of `u_dict`. Default is None. No initial
-        condition is permitted when the initial condition is hardcoded in
-        the PINN architecture for example
-    dynamic_loss_dict : Dict[str, ODE]
-        dict of dynamic part of the loss, basically the differential
-        operator $\mathcal{N}[u](t)$. Should implement a method
-        `dynamic_loss.evaluate(t, u, params)`
-    obs_slice_dict : Dict[str, Slice]
-        dict of obs_slice, with keys from `u_dict` to designate the
-        output(s) channels that are observed, for each
-        PINNs. Default is None. But if a value is given, all the entries of
-        `u_dict` must be represented here with default value `jnp.s_[...]`
-        if no particular slice is to be given.
-    params_dict : InitVar[ParamsDict], default=None
-        The main Params object of the problem needed to instanciate the
-        DerivativeKeysODE if the latter is not specified.
-
-    Raises
-    ------
-    ValueError
-        if initial condition is not a dict of tuple.
-    ValueError
-        if the dictionaries that should share the keys of u_dict do not.
-    """
-
-    # NOTE static=True only for leaf attributes that are not valid JAX types
-    # (ie. jax.Array cannot be static) and that we do not expect to change
-    u_dict: Dict[str, eqx.Module]
-    dynamic_loss_dict: Dict[str, ODE]
-    derivative_keys_dict: Dict[str, DerivativeKeysODE | None] | None = eqx.field(
-        kw_only=True, default=None
-    )
-    initial_condition_dict: Dict[str, tuple] | None = eqx.field(
-        kw_only=True, default=None
-    )
-
-    obs_slice_dict: Dict[str, slice | None] | None = eqx.field(
-        kw_only=True, default=None, static=True
-    )  # We are at an "leaf" attribute here (slice, not valid JAX type). Since
-    # we do not expect it to change with put a static=True here. But note that
-    # this is the only static for all the SystemLossODE attribute, since all
-    # other are composed of more complex structures ("non-leaf")
-
-    # For the user loss_weights are passed as a LossWeightsODEDict (with internal
-    # dictionary having keys in u_dict and / or dynamic_loss_dict)
-    loss_weights: InitVar[LossWeightsODEDict | None] = eqx.field(
-        kw_only=True, default=None
-    )
-    params_dict: InitVar[ParamsDict] = eqx.field(kw_only=True, default=None)
-
-    u_constraints_dict: Dict[str, LossODE] = eqx.field(init=False)
-    derivative_keys_dyn_loss: DerivativeKeysODE = eqx.field(init=False)
-
-    u_dict_with_none: Dict[str, None] = eqx.field(init=False)
-    # internally the loss weights are handled with a dictionary
-    _loss_weights: Dict[str, dict] = eqx.field(init=False)
-
-    def __post_init__(self, loss_weights=None, params_dict=None):
-        # a dictionary that will be useful at different places
-        self.u_dict_with_none = {k: None for k in self.u_dict.keys()}
-        if self.initial_condition_dict is None:
-            self.initial_condition_dict = self.u_dict_with_none
-        else:
-            if self.u_dict.keys() != self.initial_condition_dict.keys():
-                raise ValueError(
-                    "initial_condition_dict should have same keys as u_dict"
-                )
-        if self.obs_slice_dict is None:
-            self.obs_slice_dict = {k: jnp.s_[...] for k in self.u_dict.keys()}
-        else:
-            if self.u_dict.keys() != self.obs_slice_dict.keys():
-                raise ValueError("obs_slice_dict should have same keys as u_dict")
-
-        if self.derivative_keys_dict is None:
-            self.derivative_keys_dict = {
-                k: None
-                for k in set(
-                    list(self.dynamic_loss_dict.keys()) + list(self.u_dict.keys())
-                )
-            }
-            # set() because we can have duplicate entries and in this case we
-            # say it corresponds to the same derivative_keys_dict entry
-            # we need both because the constraints (all but dyn_loss) will be
-            # done by iterating on u_dict while the dyn_loss will be by
-            # iterating on dynamic_loss_dict. So each time we will require dome
-            # derivative_keys_dict
-
-        # derivative keys for the u_constraints. Note that we create missing
-        # DerivativeKeysODE around a Params object and not ParamsDict
-        # this works because u_dict.keys == params_dict.nn_params.keys()
-        for k in self.u_dict.keys():
-            if self.derivative_keys_dict[k] is None:
-                self.derivative_keys_dict[k] = DerivativeKeysODE(
-                    params=params_dict.extract_params(k)
-                )
-
-        self._loss_weights = self.set_loss_weights(loss_weights)
-
-        # The constaints on the solutions will be implemented by reusing a
-        # LossODE class without dynamic loss term
-        self.u_constraints_dict = {}
-        for i in self.u_dict.keys():
-            self.u_constraints_dict[i] = LossODE(
-                u=self.u_dict[i],
-                loss_weights=LossWeightsODE(
-                    dyn_loss=0.0,
-                    initial_condition=1.0,
-                    observations=1.0,
-                ),
-                dynamic_loss=None,
-                derivative_keys=self.derivative_keys_dict[i],
-                initial_condition=self.initial_condition_dict[i],
-                obs_slice=self.obs_slice_dict[i],
-            )
-
-        # derivative keys for the dynamic loss. Note that we create a
-        # DerivativeKeysODE around a ParamsDict object because a whole
-        # params_dict is feed to DynamicLoss.evaluate functions (extract_params
-        # happen inside it)
-        self.derivative_keys_dyn_loss = DerivativeKeysODE(params=params_dict)
-
-    def set_loss_weights(self, loss_weights_init):
-        """
-        This rather complex function enables the user to specify a simple
-        loss_weights=LossWeightsODEDict(dyn_loss=1., initial_condition=Tmax)
-        for ponderating values being applied to all the equations of the
-        system... So all the transformations are handled here
-        """
-        _loss_weights = {}
-        for k in fields(loss_weights_init):
-            v = getattr(loss_weights_init, k.name)
-            if isinstance(v, dict):
-                for vv in v.values():
-                    if not isinstance(vv, (int, float)) and not (
-                        isinstance(vv, Array)
-                        and ((vv.shape == (1,) or len(vv.shape) == 0))
-                    ):
-                        # TODO improve that
-                        raise ValueError(
-                            f"loss values cannot be vectorial here, got {vv}"
-                        )
-                if k.name == "dyn_loss":
-                    if v.keys() == self.dynamic_loss_dict.keys():
-                        _loss_weights[k.name] = v
-                    else:
-                        raise ValueError(
-                            "Keys in nested dictionary of loss_weights"
-                            " do not match dynamic_loss_dict keys"
-                        )
-                else:
-                    if v.keys() == self.u_dict.keys():
-                        _loss_weights[k.name] = v
-                    else:
-                        raise ValueError(
-                            "Keys in nested dictionary of loss_weights"
-                            " do not match u_dict keys"
-                        )
-            elif v is None:
-                _loss_weights[k.name] = {kk: 0 for kk in self.u_dict.keys()}
-            else:
-                if not isinstance(v, (int, float)) and not (
-                    isinstance(v, Array) and ((v.shape == (1,) or len(v.shape) == 0))
-                ):
-                    # TODO improve that
-                    raise ValueError(f"loss values cannot be vectorial here, got {v}")
-                if k.name == "dyn_loss":
-                    _loss_weights[k.name] = {
-                        kk: v for kk in self.dynamic_loss_dict.keys()
-                    }
-                else:
-                    _loss_weights[k.name] = {kk: v for kk in self.u_dict.keys()}
-
-        return _loss_weights
-
-    def __call__(self, *args, **kwargs):
-        return self.evaluate(*args, **kwargs)
-
-    def evaluate(self, params_dict: ParamsDict, batch: ODEBatch) -> Float[Array, "1"]:
-        """
-        Evaluate the loss function at a batch of points for given parameters.
-
-
-        Parameters
-        ---------
-        params
-            A ParamsDict object
-        batch
-            A ODEBatch object.
-            Such a named tuple is composed of a batch of time points
-            at which to evaluate an optional additional batch of parameters (eg. for
-            metamodeling) and an optional additional batch of observed
-            inputs/outputs/parameters
-        """
-        if (
-            isinstance(params_dict.nn_params, dict)
-            and self.u_dict.keys() != params_dict.nn_params.keys()
-        ):
-            raise ValueError("u_dict and params_dict.nn_params should have same keys ")
-
-        temporal_batch = batch.temporal_batch
-
-        vmap_in_axes_t = (0,)
-
-        # Retrieve the optional eq_params_batch
-        # and update eq_params with the latter
-        # and update vmap_in_axes
-        if batch.param_batch_dict is not None:
-            # update params with the batches of generated params
-            params = _update_eq_params_dict(params, batch.param_batch_dict)
-
-        vmap_in_axes_params = _get_vmap_in_axes_params(
-            batch.param_batch_dict, params_dict
-        )
-
-        def dyn_loss_for_one_key(dyn_loss, loss_weight):
-            """This function is used in tree_map"""
-            return dynamic_loss_apply(
-                dyn_loss.evaluate,
-                self.u_dict,
-                temporal_batch,
-                _set_derivatives(params_dict, self.derivative_keys_dyn_loss.dyn_loss),
-                vmap_in_axes_t + vmap_in_axes_params,
-                loss_weight,
-                u_type=PINN,
-            )
-
-        dyn_loss_mse_dict = jax.tree_util.tree_map(
-            dyn_loss_for_one_key,
-            self.dynamic_loss_dict,
-            self._loss_weights["dyn_loss"],
-            is_leaf=lambda x: isinstance(x, ODE),  # before when dynamic losses
-            # where plain (unregister pytree) node classes, we could not traverse
-            # this level. Now that dynamic losses are eqx.Module they can be
-            # traversed by tree map recursion. Hence we need to specify to that
-            # we want to stop at this level
-        )
-        mse_dyn_loss = jax.tree_util.tree_reduce(
-            lambda x, y: x + y, jax.tree_util.tree_leaves(dyn_loss_mse_dict)
-        )
-
-        # initial conditions and observation_loss via the internal LossODE
-        loss_weight_struct = {
-            "dyn_loss": "*",
-            "observations": "*",
-            "initial_condition": "*",
-        }
-
-        # we need to do the following for the tree_mapping to work
-        if batch.obs_batch_dict is None:
-            batch = append_obs_batch(batch, self.u_dict_with_none)
-
-        total_loss, res_dict = constraints_system_loss_apply(
-            self.u_constraints_dict,
-            batch,
-            params_dict,
-            self._loss_weights,
-            loss_weight_struct,
-        )
-
-        # Add the mse_dyn_loss from the previous computations
-        total_loss += mse_dyn_loss
-        res_dict["dyn_loss"] += mse_dyn_loss
-        return total_loss, res_dict