invrs-opt 0.8.1__py3-none-any.whl → 0.9.0__py3-none-any.whl

invrs_opt/__init__.py

@@ -3,7 +3,7 @@
 Copyright (c) 2023 The INVRS-IO authors.
 """
 
-__version__ = "v0.8.1"
+__version__ = "v0.9.0"
 __author__ = "Martin F. Schubert <mfschubert@gmail.com>"
 
 from invrs_opt import parameterization as parameterization

invrs_opt/optimizers/lbfgsb.py

@@ -19,7 +19,7 @@ from totypes import types
 
 from invrs_opt.optimizers import base
 from invrs_opt.parameterization import (
-    base as parameterization_base,
+    base as param_base,
     filter_project,
     gaussian_levelset,
     pixel,
@@ -252,7 +252,7 @@ def levelset_lbfgsb(
 
 
 def parameterized_lbfgsb(
-    density_parameterization: Optional[parameterization_base.Density2DParameterization],
+    density_parameterization: Optional[param_base.Density2DParameterization],
     penalty: float,
     maxcor: int = DEFAULT_MAXCOR,
     line_search_max_steps: int = DEFAULT_LINE_SEARCH_MAX_STEPS,
@@ -296,59 +296,6 @@ def parameterized_lbfgsb(
     if density_parameterization is None:
         density_parameterization = pixel.pixel()
 
-    def _init_latents(params: PyTree) -> PyTree:
-        def _leaf_init_latents(leaf: Any) -> Any:
-            leaf = _clip(leaf)
-            if not _is_density(leaf) or density_parameterization is None:
-                return leaf
-            return density_parameterization.from_density(leaf)
-
-        return tree_util.tree_map(_leaf_init_latents, params, is_leaf=_is_custom_type)
-
-    def _params_from_latents(latent_params: PyTree) -> PyTree:
-        def _leaf_params_from_latents(leaf: Any) -> Any:
-            if not _is_parameterized_density(leaf) or density_parameterization is None:
-                return leaf
-            return density_parameterization.to_density(leaf)
-
-        return tree_util.tree_map(
-            _leaf_params_from_latents,
-            latent_params,
-            is_leaf=_is_parameterized_density,
-        )
-
-    def _constraint_loss(latent_params: PyTree) -> jnp.ndarray:
-        def _constraint_loss_leaf(
-            params: parameterization_base.ParameterizedDensity2DArrayBase,
-        ) -> jnp.ndarray:
-            constraints = density_parameterization.constraints(params)
-            constraints = tree_util.tree_map(
-                lambda x: jnp.sum(jnp.maximum(x, 0.0) ** 2),
-                constraints,
-            )
-            return jnp.sum(jnp.asarray(constraints))
-
-        losses = [0.0] + [
-            _constraint_loss_leaf(p)
-            for p in tree_util.tree_leaves(
-                latent_params, is_leaf=_is_parameterized_density
-            )
-            if _is_parameterized_density(p)
-        ]
-        return penalty * jnp.sum(jnp.asarray(losses))
-
-    def _update_parameterized_densities(latent_params: PyTree, step: int) -> PyTree:
-        def _update_leaf(leaf: Any) -> Any:
-            if not _is_parameterized_density(leaf):
-                return leaf
-            return density_parameterization.update(leaf, step)
-
-        return tree_util.tree_map(
-            _update_leaf,
-            latent_params,
-            is_leaf=_is_parameterized_density,
-        )
-
     def init_fn(params: PyTree) -> LbfgsbState:
         """Initializes the optimization state."""
 
@@ -368,10 +315,17 @@ def parameterized_lbfgsb(
             return latent_params, scipy_lbfgsb_state.to_jax()
 
         latent_params = _init_latents(params)
-        latent_params, jax_lbfgsb_state = jax.pure_callback(
-            _init_state_pure, _example_state(latent_params, maxcor), latent_params
+        metadata, latents = param_base.partition_density_metadata(latent_params)
+        latents, jax_lbfgsb_state = jax.pure_callback(
+            _init_state_pure, _example_state(latents, maxcor), latents
+        )
+        latent_params = param_base.combine_density_metadata(metadata, latents)
+        return (
+            0,  # step
+            _params_from_latent_params(latent_params),  # params
+            latent_params,  # latent params
+            jax_lbfgsb_state,  # opt state
         )
-        return 0, _params_from_latents(latent_params), latent_params, jax_lbfgsb_state
 
     def params_fn(state: LbfgsbState) -> PyTree:
         """Returns the parameters for the given `state`."""
@@ -403,46 +357,118 @@ def parameterized_lbfgsb(
             return flat_latent_params, scipy_lbfgsb_state.to_jax()
 
         step, _, latent_params, jax_lbfgsb_state = state
-        _, vjp_fn = jax.vjp(_params_from_latents, latent_params)
-        (latent_grad,) = vjp_fn(grad)
+        metadata, latents = param_base.partition_density_metadata(latent_params)
+
+        def _params_from_latents(latents: PyTree) -> PyTree:
+            latent_params = param_base.combine_density_metadata(metadata, latents)
+            return _params_from_latent_params(latent_params)
+
+        def _constraint_loss_latents(latents: PyTree) -> jnp.ndarray:
+            latent_params = param_base.combine_density_metadata(metadata, latents)
+            return _constraint_loss(latent_params)
+
+        _, vjp_fn = jax.vjp(_params_from_latents, latents)
+        (latents_grad,) = vjp_fn(grad)
 
         if not (
-            tree_util.tree_structure(latent_grad)
-            == tree_util.tree_structure(latent_params)  # type: ignore[operator]
+            tree_util.tree_structure(latents_grad)
+            == tree_util.tree_structure(latents)  # type: ignore[operator]
         ):
             raise ValueError(
-                f"Tree structure of `latent_grad` was different than expected, got \n"
-                f"{tree_util.tree_structure(latent_grad)} but expected \n"
-                f"{tree_util.tree_structure(latent_params)}."
+                f"Tree structure of `latents_grad` was different than expected, got \n"
+                f"{tree_util.tree_structure(latents_grad)} but expected \n"
+                f"{tree_util.tree_structure(latents)}."
             )
 
         (
             constraint_loss_value,
             constraint_loss_grad,
         ) = jax.value_and_grad(
-            _constraint_loss
-        )(latent_params)
+            _constraint_loss_latents
+        )(latents)
         value += constraint_loss_value
-        latent_grad = tree_util.tree_map(
-            lambda a, b: a + b, latent_grad, constraint_loss_grad
+        latents_grad = tree_util.tree_map(
+            lambda a, b: a + b, latents_grad, constraint_loss_grad
         )
 
-        flat_latent_grad, unflatten_fn = flatten_util.ravel_pytree(
-            latent_grad
+        flat_latents_grad, unflatten_fn = flatten_util.ravel_pytree(
+            latents_grad
         )  # type: ignore[no-untyped-call]
 
-        flat_latent_params, jax_lbfgsb_state = jax.pure_callback(
+        flat_latents, jax_lbfgsb_state = jax.pure_callback(
             _update_pure,
-            (flat_latent_grad, jax_lbfgsb_state),
-            flat_latent_grad,
+            (flat_latents_grad, jax_lbfgsb_state),
+            flat_latents_grad,
             value,
             jax_lbfgsb_state,
         )
-        latent_params = unflatten_fn(flat_latent_params)
+        latents = unflatten_fn(flat_latents)
+        latent_params = param_base.combine_density_metadata(metadata, latents)
         latent_params = _update_parameterized_densities(latent_params, step)
-        params = _params_from_latents(latent_params)
+        params = _params_from_latent_params(latent_params)
         return step + 1, params, latent_params, jax_lbfgsb_state
 
+    # -------------------------------------------------------------------------
+    # Functions related to the density parameterization.
+    # -------------------------------------------------------------------------
+
+    def _init_latents(params: PyTree) -> PyTree:
+        def _leaf_init_latents(leaf: Any) -> Any:
+            leaf = _clip(leaf)
+            if not _is_density(leaf) or density_parameterization is None:
+                return leaf
+            return density_parameterization.from_density(leaf)
+
+        return tree_util.tree_map(_leaf_init_latents, params, is_leaf=_is_custom_type)
+
+    def _params_from_latent_params(latent_params: PyTree) -> PyTree:
+        def _leaf_params_from_latents(leaf: Any) -> Any:
+            if not _is_parameterized_density(leaf) or density_parameterization is None:
+                return leaf
+            return density_parameterization.to_density(leaf)
+
+        return tree_util.tree_map(
+            _leaf_params_from_latents,
+            latent_params,
+            is_leaf=_is_parameterized_density,
+        )
+
+    def _update_parameterized_densities(latent_params: PyTree, step: int) -> PyTree:
+        def _update_leaf(leaf: Any) -> Any:
+            if not _is_parameterized_density(leaf):
+                return leaf
+            return density_parameterization.update(leaf, step)
+
+        return tree_util.tree_map(
+            _update_leaf,
+            latent_params,
+            is_leaf=_is_parameterized_density,
+        )
+
+    # -------------------------------------------------------------------------
+    # Functions related to the constraints to be minimized.
+    # -------------------------------------------------------------------------
+
+    def _constraint_loss(latent_params: PyTree) -> jnp.ndarray:
+        def _constraint_loss_leaf(
+            leaf: param_base.ParameterizedDensity2DArray,
+        ) -> jnp.ndarray:
+            constraints = density_parameterization.constraints(leaf)
+            constraints = tree_util.tree_map(
+                lambda x: jnp.sum(jnp.maximum(x, 0.0) ** 2),
+                constraints,
+            )
+            return jnp.sum(jnp.asarray(constraints))
+
+        losses = [0.0] + [
+            _constraint_loss_leaf(p)
+            for p in tree_util.tree_leaves(
+                latent_params, is_leaf=_is_parameterized_density
+            )
+            if _is_parameterized_density(p)
+        ]
+        return penalty * jnp.sum(jnp.asarray(losses))
+
     return base.Optimizer(
         init=init_fn,
         params=params_fn,
@@ -467,7 +493,7 @@ def _is_density(leaf: Any) -> Any:
 
 def _is_parameterized_density(leaf: Any) -> Any:
     """Return `True` if `leaf` is a parameterized density array."""
-    return isinstance(leaf, parameterization_base.ParameterizedDensity2DArrayBase)
+    return isinstance(leaf, param_base.ParameterizedDensity2DArray)
 
 
 def _is_custom_type(leaf: Any) -> bool:

invrs_opt/optimizers/wrapped_optax.py

@@ -13,7 +13,7 @@ from totypes import types
 
 from invrs_opt.optimizers import base
 from invrs_opt.parameterization import (
-    base as parameterization_base,
+    base as param_base,
     filter_project,
     gaussian_levelset,
     pixel,
@@ -158,7 +158,7 @@ def levelset_wrapped_optax(
 
 def parameterized_wrapped_optax(
     opt: optax.GradientTransformation,
-    density_parameterization: Optional[parameterization_base.Density2DParameterization],
+    density_parameterization: Optional[param_base.Density2DParameterization],
     penalty: float,
 ) -> base.Optimizer:
     """Wrapped optax optimizer with specified density parameterization.
@@ -181,11 +181,12 @@ def parameterized_wrapped_optax(
     def init_fn(params: PyTree) -> WrappedOptaxState:
         """Initializes the optimization state."""
         latent_params = _init_latents(params)
+        _, latents = param_base.partition_density_metadata(latent_params)
         return (
             0,  # step
-            _params_from_latents(latent_params),  # params
+            _params_from_latent_params(latent_params),  # params
             latent_params,  # latent params
-            opt.init(tree_util.tree_leaves(latent_params)),  # opt state
+            opt.init(latents),  # opt state
         )
 
     def params_fn(state: WrappedOptaxState) -> PyTree:
@@ -204,42 +205,41 @@ def parameterized_wrapped_optax(
         del value, params
 
         step, params, latent_params, opt_state = state
+        metadata, latents = param_base.partition_density_metadata(latent_params)
 
-        _, vjp_fn = jax.vjp(_params_from_latents, latent_params)
-        (latent_grad,) = vjp_fn(grad)
+        def _params_from_latents(latents: PyTree) -> PyTree:
+            latent_params = param_base.combine_density_metadata(metadata, latents)
+            return _params_from_latent_params(latent_params)
+
+        def _constraint_loss_latents(latents: PyTree) -> jnp.ndarray:
+            latent_params = param_base.combine_density_metadata(metadata, latents)
+            return _constraint_loss(latent_params)
+
+        _, vjp_fn = jax.vjp(_params_from_latents, latents)
+        (latents_grad,) = vjp_fn(grad)
 
         if not (
-            tree_util.tree_structure(latent_grad)
-            == tree_util.tree_structure(latent_params)  # type: ignore[operator]
+            tree_util.tree_structure(latents_grad)
+            == tree_util.tree_structure(latents)  # type: ignore[operator]
         ):
             raise ValueError(
-                f"Tree structure of `latent_grad` was different than expected, got \n"
-                f"{tree_util.tree_structure(latent_grad)} but expected \n"
-                f"{tree_util.tree_structure(latent_params)}."
+                f"Tree structure of `latents_grad` was different than expected, got \n"
+                f"{tree_util.tree_structure(latents_grad)} but expected \n"
+                f"{tree_util.tree_structure(latents)}."
             )
 
-        constraint_loss_grad = jax.grad(_constraint_loss)(latent_params)
-        latent_grad = tree_util.tree_map(
-            lambda a, b: a + b, latent_grad, constraint_loss_grad
+        constraint_loss_grad = jax.grad(_constraint_loss_latents)(latents)
+        latents_grad = tree_util.tree_map(
+            lambda a, b: a + b, latents_grad, constraint_loss_grad
         )
 
-        updates_leaves, opt_state = opt.update(
-            updates=tree_util.tree_leaves(latent_grad),
-            state=opt_state,
-            params=tree_util.tree_leaves(latent_params),
-        )
-        latent_params_leaves = optax.apply_updates(
-            params=tree_util.tree_leaves(latent_params),
-            updates=updates_leaves,
-        )
-        latent_params = tree_util.tree_unflatten(
-            treedef=tree_util.tree_structure(latent_params),
-            leaves=latent_params_leaves,
-        )
+        updates, opt_state = opt.update(latents_grad, state=opt_state, params=latents)
+        latents = optax.apply_updates(params=latents, updates=updates)
 
+        latent_params = param_base.combine_density_metadata(metadata, latents)
         latent_params = _clip(latent_params)
         latent_params = _update_parameterized_densities(latent_params, step + 1)
-        params = _params_from_latents(latent_params)
+        params = _params_from_latent_params(latent_params)
         return (step + 1, params, latent_params, opt_state)
 
     # -------------------------------------------------------------------------
@@ -255,7 +255,7 @@ def parameterized_wrapped_optax(
 
         return tree_util.tree_map(_leaf_init_latents, params, is_leaf=_is_custom_type)
 
-    def _params_from_latents(params: PyTree) -> PyTree:
+    def _params_from_latent_params(params: PyTree) -> PyTree:
         def _leaf_params_from_latents(leaf: Any) -> Any:
             if not _is_parameterized_density(leaf):
                 return leaf
@@ -285,9 +285,9 @@ def parameterized_wrapped_optax(
 
     def _constraint_loss(latent_params: PyTree) -> jnp.ndarray:
         def _constraint_loss_leaf(
-            params: parameterization_base.ParameterizedDensity2DArrayBase,
+            leaf: param_base.ParameterizedDensity2DArray,
         ) -> jnp.ndarray:
-            constraints = density_parameterization.constraints(params)
+            constraints = density_parameterization.constraints(leaf)
             constraints = tree_util.tree_map(
                 lambda x: jnp.sum(jnp.maximum(x, 0.0) ** 2),
                 constraints,
@@ -313,7 +313,7 @@ def _is_density(leaf: Any) -> Any:
 
 def _is_parameterized_density(leaf: Any) -> Any:
     """Return `True` if `leaf` is a parameterized density array."""
-    return isinstance(leaf, parameterization_base.ParameterizedDensity2DArrayBase)
+    return isinstance(leaf, param_base.ParameterizedDensity2DArray)
 
 
 def _is_custom_type(leaf: Any) -> bool:

invrs_opt/parameterization/base.py

@@ -9,24 +9,74 @@ from typing import Any, Optional, Protocol, Sequence, Tuple
 import jax.numpy as jnp
 import numpy as onp
 from jax import tree_util
-from totypes import json_utils, types
+from totypes import json_utils, partition_utils, types
 
 Array = jnp.ndarray | onp.ndarray[Any, Any]
 PyTree = Any
 
 
-class ParameterizedDensity2DArrayBase:
-    """Base class for parameterized density arrays."""
+@dataclasses.dataclass
+class ParameterizedDensity2DArray:
+    """Stores latents and metadata for a parameterized density array."""
+
+    latents: "LatentsBase"
+    metadata: Optional["MetadataBase"]
+
+
+class LatentsBase:
+    """Base class for latents of a parameterized density array."""
+
+    pass
+
+
+class MetadataBase:
+    """Base class for metadata of a parameterized density array."""
 
     pass
 
 
+tree_util.register_dataclass(
+    ParameterizedDensity2DArray,
+    data_fields=["latents", "metadata"],
+    meta_fields=[],
+)
+json_utils.register_custom_type(ParameterizedDensity2DArray)
+
+
+def partition_density_metadata(tree: PyTree) -> Tuple[PyTree, PyTree]:
+    """Splits a pytree with parameterized densities into metadata from latents."""
+    metadata, latents = partition_utils.partition(
+        tree,
+        select_fn=lambda x: isinstance(x, MetadataBase),
+        is_leaf=_is_metadata_or_none,
+    )
+    return metadata, latents
+
+
+def combine_density_metadata(metadata: PyTree, latents: PyTree) -> PyTree:
+    """Combines pytrees containing metadata and latents."""
+    return partition_utils.combine(metadata, latents, is_leaf=_is_metadata_or_none)
+
+
+def _is_metadata_or_none(leaf: Any) -> bool:
+    """Return `True` if `leaf` is `None` or density metadata."""
+    return leaf is None or isinstance(leaf, MetadataBase)
+
+
+@dataclasses.dataclass
+class Density2DParameterization:
+    """Stores `(from_density, to_density, constraints, update)` function triple."""
+
+    from_density: "FromDensityFn"
+    to_density: "ToDensityFn"
+    constraints: "ConstraintsFn"
+    update: "UpdateFn"
+
+
 class FromDensityFn(Protocol):
     """Generate the latent representation of a density array."""
 
-    def __call__(
-        self, density: types.Density2DArray
-    ) -> ParameterizedDensity2DArrayBase:
+    def __call__(self, density: types.Density2DArray) -> ParameterizedDensity2DArray:
         ...
 
 
@@ -51,16 +101,6 @@ class UpdateFn(Protocol):
         ...
 
 
-@dataclasses.dataclass
-class Density2DParameterization:
-    """Stores `(from_density, to_density, constraints)` function triple."""
-
-    from_density: FromDensityFn
-    to_density: ToDensityFn
-    constraints: ConstraintsFn
-    update: UpdateFn
-
-
 @dataclasses.dataclass
 class Density2DMetadata:
     """Stores the metadata of a `Density2DArray`."""
@@ -78,6 +118,12 @@ class Density2DMetadata:
         self.periodic = tuple(self.periodic)
         self.symmetries = tuple(self.symmetries)
 
+    @classmethod
+    def from_density(self, density: types.Density2DArray) -> "Density2DMetadata":
+        density_metadata_dict = dataclasses.asdict(density)
+        del density_metadata_dict["array"]
+        return Density2DMetadata(**density_metadata_dict)
+
 
 def _flatten_density_2d_metadata(
     metadata: Density2DMetadata,

invrs_opt/parameterization/filter_project.py

@@ -13,25 +13,53 @@ from invrs_opt.parameterization import base, transforms
 
 
 @dataclasses.dataclass
-class FilterAndProjectParams(base.ParameterizedDensity2DArrayBase):
-    """Stores the latent parameters of the pixel parameterization.
+class FilterProjectParams(base.ParameterizedDensity2DArray):
+    """Stores parameters for the filter-project parameterization."""
 
-    Attributes:
+    latents: "FilterProjectLatents"
+    metadata: "FilterProjectMetadata"
+
+
+@dataclasses.dataclass
+class FilterProjectLatents(base.LatentsBase):
+    """Stores latent parameters for the filter-project parameterization.
+
+    Attributes:s
         latent_density: The latent variable from which the density is obtained.
-        beta: Determines the sharpness of the thresholding operation.
     """
 
     latent_density: types.Density2DArray
+
+
+@dataclasses.dataclass
+class FilterProjectMetadata(base.MetadataBase):
+    """Stores metadata for the filter-project parameterization.
+
+    Attributes:
+        beta: Determines the sharpness of the thresholding operation.
+    """
+
     beta: float
 
 
 tree_util.register_dataclass(
-    FilterAndProjectParams,
+    FilterProjectParams,
+    data_fields=["latents", "metadata"],
+    meta_fields=[],
+)
+tree_util.register_dataclass(
+    FilterProjectLatents,
     data_fields=["latent_density"],
+    meta_fields=[],
+)
+tree_util.register_dataclass(
+    FilterProjectMetadata,
+    data_fields=[],
     meta_fields=["beta"],
 )
-
-json_utils.register_custom_type(FilterAndProjectParams)
+json_utils.register_custom_type(FilterProjectParams)
+json_utils.register_custom_type(FilterProjectLatents)
+json_utils.register_custom_type(FilterProjectMetadata)
 
 
 def filter_project(beta: float) -> base.Density2DParameterization:
@@ -55,24 +83,26 @@ def filter_project(beta: float) -> base.Density2DParameterization:
         The `Density2DParameterization`.
     """
 
-    def from_density_fn(density: types.Density2DArray) -> FilterAndProjectParams:
+    def from_density_fn(density: types.Density2DArray) -> FilterProjectParams:
         """Return latent parameters for the given `density`."""
         array = transforms.normalized_array_from_density(density)
         array = jnp.clip(array, -1, 1)
         array *= jnp.tanh(beta)
         latent_array = jnp.arctanh(array) / beta
         latent_array = transforms.rescale_array_for_density(latent_array, density)
-        return FilterAndProjectParams(
-            latent_density=dataclasses.replace(density, array=latent_array),
-            beta=beta,
+        latent_density = density = dataclasses.replace(density, array=latent_array)
+        return FilterProjectParams(
+            latents=FilterProjectLatents(latent_density=latent_density),
+            metadata=FilterProjectMetadata(beta=beta),
         )
 
-    def to_density_fn(params: FilterAndProjectParams) -> types.Density2DArray:
+    def to_density_fn(params: FilterProjectParams) -> types.Density2DArray:
         """Return a density from the latent parameters."""
-        transformed = types.symmetrize_density(params.latent_density)
-        transformed = transforms.density_gaussian_filter_and_tanh(
-            transformed, beta=params.beta
-        )
+        latent_density = params.latents.latent_density
+        beta = params.metadata.beta
+
+        transformed = types.symmetrize_density(latent_density)
+        transformed = transforms.density_gaussian_filter_and_tanh(transformed, beta)
         # Scale to ensure that the full valid range of the density array is reachable.
         mid_value = (transformed.lower_bound + transformed.upper_bound) / 2
         transformed = tree_util.tree_map(
@@ -80,12 +110,12 @@ def filter_project(beta: float) -> base.Density2DParameterization:
         )
         return transforms.apply_fixed_pixels(transformed)
 
-    def constraints_fn(params: FilterAndProjectParams) -> jnp.ndarray:
+    def constraints_fn(params: FilterProjectParams) -> jnp.ndarray:
         """Computes constraints associated with the params."""
         del params
         return jnp.asarray(0.0)
 
-    def update_fn(params: FilterAndProjectParams, step: int) -> FilterAndProjectParams:
+    def update_fn(params: FilterProjectParams, step: int) -> FilterProjectParams:
         """Perform updates to `params` required for the given `step`."""
         del step
         return params

invrs_opt/parameterization/gaussian_levelset.py

@@ -29,12 +29,30 @@ DEFAULT_INIT_OPTIMIZER: optax.GradientTransformation = optax.adam(1e-1)
 
 
 @dataclasses.dataclass
-class GaussianLevelsetParams(base.ParameterizedDensity2DArrayBase):
-    """Parameters of a density represented by a Gaussian levelset.
+class GaussianLevelsetParams(base.ParameterizedDensity2DArray):
+    """Stores parameters for the Gaussian levelset parameterization."""
+
+    latents: "GaussianLevelsetLatents"
+    metadata: "GaussianLevelsetMetadata"
+
+
+@dataclasses.dataclass
+class GaussianLevelsetLatents(base.LatentsBase):
+    """Stores latent parameters for the Gaussian levelset parameterization.
 
     Attributes:
         amplitude: Array giving the amplitude of the Gaussian basis function at
             levelset control points.
+    """
+
+    amplitude: jnp.ndarray
+
+
+@dataclasses.dataclass
+class GaussianLevelsetMetadata(base.MetadataBase):
+    """Stores metadata for the Gaussian levelset parameterization.
+
+    Attributes:
         length_scale_spacing_factor: The number of levelset control points per unit of
             minimum length scale (mean of density minimum width and minimum spacing).
         length_scale_fwhm_factor: The ratio of Gaussian full-width at half-maximum to
@@ -45,7 +63,6 @@ class GaussianLevelsetParams(base.ParameterizedDensity2DArrayBase):
         density_metadata: Metadata for the density array obtained from the parameters.
     """
 
-    amplitude: jnp.ndarray
     length_scale_spacing_factor: float
     length_scale_fwhm_factor: float
     smoothing_factor: int
@@ -55,68 +72,31 @@ class GaussianLevelsetParams(base.ParameterizedDensity2DArrayBase):
     def __post_init__(self) -> None:
         self.density_shape = tuple(self.density_shape)
 
-    def example_density(self) -> types.Density2DArray:
-        """Returns an example density with appropriate shape and metadata."""
-        with jax.ensure_compile_time_eval():
-            return types.Density2DArray(
-                array=jnp.zeros(self.density_shape),
-                **dataclasses.asdict(self.density_metadata),
-            )
-
-
-_GaussianLevelsetParamsAux = Tuple[
-    float, float, int, Tuple[int, ...], tree_util.PyTreeDef
-]
-
 
-def _flatten_gaussian_levelset_params(
-    params: GaussianLevelsetParams,
-) -> Tuple[Tuple[jnp.ndarray], _GaussianLevelsetParamsAux]:
-    _, flat_metadata = tree_util.tree_flatten(params.density_metadata)
-    return (
-        (params.amplitude,),
-        (
-            params.length_scale_spacing_factor,
-            params.length_scale_fwhm_factor,
-            params.smoothing_factor,
-            params.density_shape,
-            flat_metadata,
-        ),
-    )
-
-
-def _unflatten_gaussian_levelset_params(
-    aux: _GaussianLevelsetParamsAux,
-    children: Tuple[jnp.ndarray],
-) -> GaussianLevelsetParams:
-    (amplitude,) = children
-    (
-        length_scale_spacing_factor,
-        length_scale_fwhm_factor,
-        smoothing_factor,
-        density_shape,
-        flat_metadata,
-    ) = aux
-
-    density_metadata = tree_util.tree_unflatten(flat_metadata, ())
-    return GaussianLevelsetParams(
-        amplitude=amplitude,
-        length_scale_spacing_factor=length_scale_spacing_factor,
-        length_scale_fwhm_factor=length_scale_fwhm_factor,
-        smoothing_factor=smoothing_factor,
-        density_shape=tuple(density_shape),
-        density_metadata=density_metadata,
-    )
-
-
-tree_util.register_pytree_node(
+tree_util.register_dataclass(
     GaussianLevelsetParams,
-    flatten_func=_flatten_gaussian_levelset_params,
-    unflatten_func=_unflatten_gaussian_levelset_params,
+    data_fields=["latents", "metadata"],
+    meta_fields=[],
+)
+tree_util.register_dataclass(
+    GaussianLevelsetLatents,
+    data_fields=["amplitude"],
+    meta_fields=[],
+)
+tree_util.register_dataclass(
+    GaussianLevelsetMetadata,
+    data_fields=[
+        "length_scale_spacing_factor",
+        "length_scale_fwhm_factor",
+        "smoothing_factor",
+        "density_shape",
+        "density_metadata",
+    ],
+    meta_fields=[],
 )
-
-
 json_utils.register_custom_type(GaussianLevelsetParams)
+json_utils.register_custom_type(GaussianLevelsetLatents)
+json_utils.register_custom_type(GaussianLevelsetMetadata)
 
 
 def gaussian_levelset(
@@ -187,23 +167,21 @@ def gaussian_levelset(
         pad_width += ((0, 0),) if density.periodic[1] else ((1, 1),)
         amplitude = jnp.pad(amplitude, pad_width, mode="edge")
 
-        density_metadata_dict = dataclasses.asdict(density)
-        del density_metadata_dict["array"]
-        density_metadata = base.Density2DMetadata(**density_metadata_dict)
-        params = GaussianLevelsetParams(
-            amplitude=amplitude,
+        latents = GaussianLevelsetLatents(amplitude=amplitude)
+        metadata = GaussianLevelsetMetadata(
             length_scale_spacing_factor=length_scale_spacing_factor,
             length_scale_fwhm_factor=length_scale_fwhm_factor,
             smoothing_factor=smoothing_factor,
             density_shape=density.shape,
-            density_metadata=density_metadata,
+            density_metadata=base.Density2DMetadata.from_density(density),
         )
 
         def step_fn(
             _: int,
             params_and_state: Tuple[PyTree, PyTree],
         ) -> Tuple[PyTree, PyTree]:
-            def loss_fn(params: GaussianLevelsetParams) -> jnp.ndarray:
+            def loss_fn(latents: GaussianLevelsetLatents) -> jnp.ndarray:
+                params = GaussianLevelsetParams(latents, metadata=metadata)
                 density_from_params = to_density_fn(params, mask_gradient=False)
                 return jnp.mean((density_from_params.array - target_array) ** 2)
 
@@ -213,13 +191,14 @@ def gaussian_levelset(
             params = optax.apply_updates(params, updates)
             return params, state
 
-        state = init_optimizer.init(params)
-        params, _ = jax.lax.fori_loop(
-            0, init_steps, body_fun=step_fn, init_val=(params, state)
+        state = init_optimizer.init(latents)
+        latents, _ = jax.lax.fori_loop(
+            0, init_steps, body_fun=step_fn, init_val=(latents, state)
         )
 
-        maxval = jnp.amax(jnp.abs(params.amplitude), axis=(-2, -1), keepdims=True)
-        return dataclasses.replace(params, amplitude=params.amplitude / maxval)
+        maxval = jnp.amax(jnp.abs(latents.amplitude), axis=(-2, -1), keepdims=True)
+        latents = dataclasses.replace(latents, amplitude=latents.amplitude / maxval)
+        return GaussianLevelsetParams(latents=latents, metadata=metadata)
 
     def to_density_fn(
         params: GaussianLevelsetParams,
@@ -228,7 +207,7 @@ def gaussian_levelset(
         """Return a density from the latent parameters."""
         array = _to_array(params, mask_gradient=mask_gradient, pad_pixels=0)
 
-        example_density = params.example_density()
+        example_density = _example_density(params)
         lb = example_density.lower_bound
         ub = example_density.upper_bound
         array = lb + array * (ub - lb)
@@ -263,7 +242,7 @@ def gaussian_levelset(
         )
 
         # Normalize constraints to make them (somewhat) resolution-independent.
-        example_density = params.example_density()
+        example_density = _example_density(params)
         length_scale = 0.5 * (
             example_density.minimum_spacing + example_density.minimum_width
         )
@@ -287,6 +266,15 @@ def gaussian_levelset(
 # -----------------------------------------------------------------------------
 
 
+def _example_density(params: GaussianLevelsetParams) -> types.Density2DArray:
+    """Returns an example density with appropriate shape and metadata."""
+    with jax.ensure_compile_time_eval():
+        return types.Density2DArray(
+            array=jnp.zeros(params.metadata.density_shape),
+            **dataclasses.asdict(params.metadata.density_metadata),
+        )
+
+
 def _to_array(
     params: GaussianLevelsetParams,
     mask_gradient: bool,
@@ -308,7 +296,7 @@ def _to_array(
     Returns:
         The array.
     """
-    example_density = params.example_density()
+    example_density = _example_density(params)
     periodic: Tuple[bool, bool] = example_density.periodic
     phi = _phi_from_params(
         params=params,
@@ -319,7 +307,7 @@ def _to_array(
         periodic=periodic,
         mask_gradient=mask_gradient,
     )
-    return _downsample_spatial_dims(array, params.smoothing_factor)
+    return _downsample_spatial_dims(array, params.metadata.smoothing_factor)
 
 
 def _phi_from_params(
@@ -337,32 +325,35 @@ def _phi_from_params(
         The levelset array `phi`.
     """
     with jax.ensure_compile_time_eval():
-        example_density = params.example_density()
+        example_density = _example_density(params)
         length_scale = 0.5 * (
             example_density.minimum_width + example_density.minimum_spacing
         )
-        fwhm = length_scale * params.length_scale_fwhm_factor
+        fwhm = length_scale * params.metadata.length_scale_fwhm_factor
         sigma = fwhm / (2 * jnp.sqrt(2 * jnp.log(2)))
 
+        s_factor = params.metadata.smoothing_factor
         highres_i = (
             0.5
             + jnp.arange(
-                params.smoothing_factor * (-pad_pixels),
-                params.smoothing_factor * (pad_pixels + example_density.shape[-2]),
+                s_factor * (-pad_pixels),
+                s_factor * (pad_pixels + example_density.shape[-2]),
             )
-        ) / params.smoothing_factor
+        ) / s_factor
         highres_j = (
             0.5
             + jnp.arange(
-                params.smoothing_factor * (-pad_pixels),
-                params.smoothing_factor * (pad_pixels + example_density.shape[-1]),
+                s_factor * (-pad_pixels),
+                s_factor * (pad_pixels + example_density.shape[-1]),
             )
-        ) / params.smoothing_factor
+        ) / s_factor
 
         # Coordinates for the control points of the Gaussian radial basis functions.
         levelset_i, levelset_j = _control_point_coords(
-            density_shape=params.density_shape[-2:],  # type: ignore[arg-type]
-            levelset_shape=params.amplitude.shape[-2:],  # type: ignore[arg-type]
+            density_shape=params.metadata.density_shape[-2:],  # type: ignore[arg-type]
+            levelset_shape=(
+                params.latents.amplitude.shape[-2:]  # type: ignore[arg-type]
+            ),
             periodic=example_density.periodic,
         )
 
@@ -391,7 +382,7 @@ def _phi_from_params(
         levelset_i = levelset_i.flatten()
         levelset_j = levelset_j.flatten()
 
-    amplitude = params.amplitude
+    amplitude = params.latents.amplitude
     if example_density.periodic[0]:
         amplitude = jnp.concat([amplitude] * 3, axis=-2)
     if example_density.periodic[1]:
@@ -410,8 +401,8 @@ def _phi_from_params(
     _, array = jax.lax.scan(scan_fn, (), xs=highres_i)
     array = jnp.moveaxis(array, 0, -2)
 
-    assert array.shape[-2] % params.smoothing_factor == 0
-    assert array.shape[-1] % params.smoothing_factor == 0
+    assert array.shape[-2] % s_factor == 0
+    assert array.shape[-1] % s_factor == 0
     array = symmetry.symmetrize(array, tuple(example_density.symmetries))
     return array
 
@@ -443,7 +434,7 @@ def _fixed_pixel_constraint(
     """
     array = _to_array(params, mask_gradient=mask_gradient, pad_pixels=pad_pixels)
 
-    example_density = params.example_density()
+    example_density = _example_density(params)
     fixed_solid = jnp.zeros(example_density.shape[-2:], dtype=bool)
     fixed_void = jnp.zeros(example_density.shape[-2:], dtype=bool)
     if example_density.fixed_solid is not None:
@@ -491,9 +482,9 @@ def _levelset_constraints(
             beyond the boundaries of the parameterized density.
 
     Returns:
-        The minimum length scale and minimum curvature constraint arrays.
+        The minimum length scale and minimum curvature constraint arrays.s
     """
-    example_density = params.example_density()
+    example_density = _example_density(params)
     minimum_length_scale = 0.5 * (
         example_density.minimum_width + example_density.minimum_spacing
     )
@@ -512,9 +503,10 @@ def _levelset_constraints(
     )
 
     # Downsample so that constraints shape matches the density shape.
+    factor = params.metadata.smoothing_factor
     return (
-        _downsample_spatial_dims(length_scale_constraint, params.smoothing_factor),
-        _downsample_spatial_dims(curvature_constraint, params.smoothing_factor),
+        _downsample_spatial_dims(length_scale_constraint, factor),
+        _downsample_spatial_dims(curvature_constraint, factor),
     )
 
 
@@ -529,7 +521,7 @@ def _phi_derivatives_and_inverse_radius(
         pad_pixels=pad_pixels,
     )
 
-    d = 1 / params.smoothing_factor
+    d = 1 / params.metadata.smoothing_factor
     phi_x, phi_y = jnp.gradient(phi, d, axis=(-2, -1))
     phi_xx, phi_yx = jnp.gradient(phi_x, d, axis=(-2, -1))
     phi_xy, phi_yy = jnp.gradient(phi_y, d, axis=(-2, -1))

invrs_opt/parameterization/pixel.py

@@ -13,26 +13,40 @@ from invrs_opt.parameterization import base
 
 
 @dataclasses.dataclass
-class PixelParams(base.ParameterizedDensity2DArrayBase):
-    """Stores latent parameters of the direct pixel parameterization."""
+class PixelParams(base.ParameterizedDensity2DArray):
+    latents: "PixelLatents"
+    metadata: None = None
 
-    density: types.Density2DArray
 
+@dataclasses.dataclass
+class PixelLatents(base.LatentsBase):
+    """Stores latent parameters for the direct pixel parameterization."""
 
-tree_util.register_dataclass(PixelParams, data_fields=["density"], meta_fields=[])
+    density: types.Density2DArray
 
 
+tree_util.register_dataclass(
+    PixelParams,
+    data_fields=["latents"],
+    meta_fields=[],
+)
+tree_util.register_dataclass(
+    PixelLatents,
+    data_fields=["density"],
+    meta_fields=[],
+)
 json_utils.register_custom_type(PixelParams)
+json_utils.register_custom_type(PixelLatents)
 
 
 def pixel() -> base.Density2DParameterization:
     """Return the direct pixel parameterization."""
 
     def from_density_fn(density: types.Density2DArray) -> PixelParams:
-        return PixelParams(density=density)
+        return PixelParams(latents=PixelLatents(density=density))
 
     def to_density_fn(params: PixelParams) -> types.Density2DArray:
-        return params.density
+        return params.latents.density
 
     def constraints_fn(params: PixelParams) -> jnp.ndarray:
         del params

{invrs_opt-0.8.1.dist-info → invrs_opt-0.9.0.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: invrs_opt
-Version: 0.8.1
+Version: 0.9.0
 Summary: Algorithms for inverse design
 Author-email: "Martin F. Schubert" <mfschubert@gmail.com>
 Maintainer-email: "Martin F. Schubert" <mfschubert@gmail.com>
@@ -533,7 +533,7 @@ Requires-Dist: pytest-cov; extra == "tests"
 Requires-Dist: pytest-subtests; extra == "tests"
 
 # invrs-opt - Optimization algorithms for inverse design
-`v0.8.1`
+`v0.9.0`
 
 ## Overview
 

invrs_opt-0.9.0.dist-info/RECORD

@@ -0,0 +1,20 @@
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+invrs_opt/py.typed,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
+invrs_opt/experimental/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
+invrs_opt/experimental/client.py,sha256=t4XxnditYbM9DWZeyBPj0Sa2acvkikT0ybhUdmH2r-Y,4852
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+invrs_opt-0.9.0.dist-info/LICENSE,sha256=IMF9i4xIpgCADf0U-V1cuf9HBmqWQd3qtI3FSuyW4zE,26526
+invrs_opt-0.9.0.dist-info/METADATA,sha256=qS0kFxxwAsfBW1igDyJHel8xFDsQQWCiUh7f1QRRGEs,32633
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+invrs_opt-0.9.0.dist-info/RECORD,,

invrs_opt-0.8.1.dist-info/RECORD

@@ -1,20 +0,0 @@
-invrs_opt/__init__.py,sha256=tjbabqQKp5y1I5eqDa7onsy7E58P9nTk_Ifn12oMfZM,585
-invrs_opt/py.typed,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
-invrs_opt/experimental/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
-invrs_opt/experimental/client.py,sha256=t4XxnditYbM9DWZeyBPj0Sa2acvkikT0ybhUdmH2r-Y,4852
-invrs_opt/experimental/labels.py,sha256=dQDAMPyFMV6mXnMy295z8Ap205DRdVzysXny_Be8FmY,562
-invrs_opt/optimizers/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
-invrs_opt/optimizers/base.py,sha256=-wNwH0J475y8FzB5aLAkc_1602LvYeF4Hddr9OiBkDY,1276
-invrs_opt/optimizers/lbfgsb.py,sha256=2NcyFllUM5CrjOZLEBocYAlCrkWt1fiRGJrxg05waog,35149
-invrs_opt/optimizers/wrapped_optax.py,sha256=c4iSsXHF2cJZaZhdxLpyRy26q5IxBTo4-6sY8IOLT38,13259
-invrs_opt/parameterization/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
-invrs_opt/parameterization/base.py,sha256=k2VXZorMnkmaIWWY_G2CvS0NtxYojfvKlPccDGZyGNA,3779
-invrs_opt/parameterization/filter_project.py,sha256=D2w8xrg34V8ysIbbr1RPvegM5WoLdz8QKUCGi80ieOI,3466
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-invrs_opt/parameterization/transforms.py,sha256=8GzaIsUuuXvMCLiqAEEfxmi9qE9KqHzbuTj_m0GjH3w,8216
-invrs_opt-0.8.1.dist-info/LICENSE,sha256=IMF9i4xIpgCADf0U-V1cuf9HBmqWQd3qtI3FSuyW4zE,26526
-invrs_opt-0.8.1.dist-info/METADATA,sha256=4qLsuDLp3pNn5C1TTPnF0qwWps7MeN_Uc3rKsBLbPrk,32633
-invrs_opt-0.8.1.dist-info/WHEEL,sha256=HiCZjzuy6Dw0hdX5R3LCFPDmFS4BWl8H-8W39XfmgX4,91
-invrs_opt-0.8.1.dist-info/top_level.txt,sha256=hOziS2uJ_NgwaW9yhtOfeuYnm1X7vobPBcp_6eVWKfM,10
-invrs_opt-0.8.1.dist-info/RECORD,,