invrs-opt 0.10.7__py3-none-any.whl → 0.12.0__py3-none-any.whl

invrs_opt/__init__.py

@@ -1,9 +1,9 @@
 """invrs_opt - Optimization algorithms for inverse design.
 
-Copyright (c) 2023 The INVRS-IO authors.
+Copyright (c) 2025 invrs.io LLC
 """
 
-__version__ = "v0.10.7"
+__version__ = "v0.12.0"
 __author__ = "Martin F. Schubert <mfschubert@gmail.com>"
 
 from invrs_opt import parameterization as parameterization

invrs_opt/experimental/client.py

@@ -1,6 +1,6 @@
 """Defines basic client optimizers for use with an optimization service.
 
-Copyright (c) 2023 The INVRS-IO authors.
+Copyright (c) 2025 invrs.io LLC
 """
 
 import json

invrs_opt/experimental/labels.py

@@ -1,6 +1,6 @@
 """Defines labels and messages used in the context of an optimization service.
 
-Copyright (c) 2023 The INVRS-IO authors.
+Copyright (c) 2025 invrs.io LLC
 """
 
 VALUE = "value"

invrs_opt/optimizers/base.py

@@ -1,6 +1,6 @@
 """Base objects and datatypes for optimization algorithms.
 
-Copyright (c) 2023 The INVRS-IO authors.
+Copyright (c) 2025 invrs.io LLC
 """
 
 import dataclasses

invrs_opt/optimizers/lbfgsb.py

@@ -1,6 +1,6 @@
 """Defines a jax-style wrapper for scipy's L-BFGS-B algorithm.
 
-Copyright (c) 2023 The INVRS-IO authors.
+Copyright (c) 2025 invrs.io LLC
 """
 
 import dataclasses
@@ -16,7 +16,7 @@ from jax import flatten_util, tree_util
 from scipy.optimize._lbfgsb_py import (  # type: ignore[import-untyped]
     _lbfgsb as scipy_lbfgsb,
 )
-from totypes import types
+from totypes import json_utils, types
 
 from invrs_opt.optimizers import base
 from invrs_opt.parameterization import (
@@ -31,7 +31,26 @@ PyTree = Any
 ElementwiseBound = Union[NDArray, Sequence[Optional[float]]]
 NumpyLbfgsbDict = Dict[str, NDArray]
 JaxLbfgsbDict = Dict[str, jnp.ndarray]
-LbfgsbState = Tuple[int, PyTree, PyTree, JaxLbfgsbDict]
+
+
+@dataclasses.dataclass
+class LbfgsbState:
+    """Stores the state of the L-BFGS-B optimizer."""
+
+    step: int
+    params: PyTree
+    latent_params: PyTree
+    opt_state: JaxLbfgsbDict
+
+
+tree_util.register_dataclass(
+    LbfgsbState,
+    data_fields=["step", "params", "latent_params", "opt_state"],
+    meta_fields=[],
+)
+
+
+json_utils.register_custom_type(LbfgsbState)
 
 
 # Task message prefixes for the underlying L-BFGS-B implementation.
@@ -327,17 +346,16 @@ def parameterized_lbfgsb(
             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 LbfgsbState(
+            step=0,
+            params=_params_from_latent_params(latent_params),
+            latent_params=latent_params,
+            opt_state=jax_lbfgsb_state,
         )
 
     def params_fn(state: LbfgsbState) -> PyTree:
         """Returns the parameters for the given `state`."""
-        _, params, _, _ = state
-        return params
+        return state.params
 
     def update_fn(
         *,
@@ -366,8 +384,7 @@ def parameterized_lbfgsb(
             flat_latent_updates = updated_flat_latent_params - flat_latent_params
             return flat_latent_updates, scipy_lbfgsb_state.to_dict()
 
-        step, _, latent_params, jax_lbfgsb_state = state
-        metadata, latents = param_base.partition_density_metadata(latent_params)
+        metadata, latents = param_base.partition_density_metadata(state.latent_params)
 
         def _params_from_latents(latents: PyTree) -> PyTree:
             latent_params = param_base.combine_density_metadata(metadata, latents)
@@ -404,23 +421,28 @@ def parameterized_lbfgsb(
             latents_grad
         )  # type: ignore[no-untyped-call]
 
-        flat_latent_updates, jax_lbfgsb_state = callback_sequential(
+        flat_latent_updates, opt_state = callback_sequential(
             _update_pure,
-            (flat_latents_grad, jax_lbfgsb_state),
+            (flat_latents_grad, state.opt_state),
             flat_latents_grad,
             value,
-            jax_lbfgsb_state,
+            state.opt_state,
         )
         latent_updates = unflatten_fn(flat_latent_updates)
         latent_params = _apply_updates(
-            params=latent_params,
+            params=state.latent_params,
             updates=param_base.combine_density_metadata(metadata, latent_updates),
             value=value,
-            step=step,
+            step=state.step,
         )
         latent_params = _clip(latent_params)
         params = _params_from_latent_params(latent_params)
-        return step + 1, params, latent_params, jax_lbfgsb_state
+        return LbfgsbState(
+            step=state.step + 1,
+            params=params,
+            latent_params=latent_params,
+            opt_state=opt_state,
+        )
 
     # -------------------------------------------------------------------------
     # Functions related to the density parameterization.
@@ -501,7 +523,7 @@ def parameterized_lbfgsb(
 
 def is_converged(state: LbfgsbState) -> jnp.ndarray:
     """Returns `True` if the optimization has converged."""
-    return state[3]["converged"]
+    return state.opt_state["converged"]
 
 
 # ------------------------------------------------------------------------------

invrs_opt/optimizers/wrapped_optax.py

@@ -1,15 +1,16 @@
 """Defines a wrapper for optax optimizers.
 
-Copyright (c) 2023 The INVRS-IO authors.
+Copyright (c) 2025 invrs.io LLC
 """
 
-from typing import Any, Optional, Tuple
+import dataclasses
+from typing import Any, Optional
 
 import jax
 import jax.numpy as jnp
 import optax  # type: ignore[import-untyped]
 from jax import tree_util
-from totypes import types
+from totypes import json_utils, types
 
 from invrs_opt.optimizers import base
 from invrs_opt.parameterization import (
@@ -20,7 +21,26 @@ from invrs_opt.parameterization import (
 )
 
 PyTree = Any
-WrappedOptaxState = Tuple[int, PyTree, PyTree, PyTree]
+
+
+@dataclasses.dataclass
+class WrappedOptaxState:
+    """Stores the state of a wrapped optax optimizer."""
+
+    step: int
+    params: PyTree
+    latent_params: PyTree
+    opt_state: PyTree
+
+
+tree_util.register_dataclass(
+    WrappedOptaxState,
+    data_fields=["step", "params", "latent_params", "opt_state"],
+    meta_fields=[],
+)
+
+
+json_utils.register_custom_type(WrappedOptaxState)
 
 
 def wrapped_optax(opt: optax.GradientTransformation) -> base.Optimizer:
@@ -182,17 +202,16 @@ def parameterized_wrapped_optax(
         """Initializes the optimization state."""
         latent_params = _init_latents(params)
         _, latents = param_base.partition_density_metadata(latent_params)
-        return (
-            0,  # step
-            _params_from_latent_params(latent_params),  # params
-            latent_params,  # latent params
-            opt.init(latents),  # opt state
+        return WrappedOptaxState(
+            step=0,
+            params=_params_from_latent_params(latent_params),
+            latent_params=latent_params,
+            opt_state=opt.init(latents),
         )
 
     def params_fn(state: WrappedOptaxState) -> PyTree:
         """Returns the parameters for the given `state`."""
-        _, params, _, _ = state
-        return params
+        return state.params
 
     def update_fn(
         *,
@@ -204,8 +223,7 @@ def parameterized_wrapped_optax(
         """Updates the state."""
         del params
 
-        step, params, latent_params, opt_state = state
-        metadata, latents = param_base.partition_density_metadata(latent_params)
+        metadata, latents = param_base.partition_density_metadata(state.latent_params)
 
         def _params_from_latents(latents: PyTree) -> PyTree:
             latent_params = param_base.combine_density_metadata(metadata, latents)
@@ -232,16 +250,23 @@ def parameterized_wrapped_optax(
             lambda a, b: a + b, latents_grad, constraint_loss_grad
         )
 
-        latent_updates, opt_state = opt.update(latents_grad, opt_state, params=latents)
+        latent_updates, opt_state = opt.update(
+            latents_grad, state.opt_state, params=latents
+        )
         latent_params = _apply_updates(
-            params=latent_params,
+            params=state.latent_params,
             updates=param_base.combine_density_metadata(metadata, latent_updates),
             value=value,
-            step=step,
+            step=state.step,
         )
         latent_params = _clip(latent_params)
         params = _params_from_latent_params(latent_params)
-        return (step + 1, params, latent_params, opt_state)
+        return WrappedOptaxState(
+            step=state.step + 1,
+            params=params,
+            latent_params=latent_params,
+            opt_state=opt_state,
+        )
 
     # -------------------------------------------------------------------------
     # Functions related to the density parameterization.

invrs_opt/parameterization/base.py

@@ -1,6 +1,6 @@
 """Base types for density parameterizations.
 
-Copyright (c) 2023 The INVRS-IO authors.
+Copyright (c) 2025 invrs.io LLC
 """
 
 import dataclasses

invrs_opt/parameterization/filter_project.py

@@ -1,6 +1,6 @@
 """Defines filter-and-project density parameterization.
 
-Copyright (c) 2023 The INVRS-IO authors.
+Copyright (c) 2025 invrs.io LLC
 """
 
 import dataclasses

invrs_opt/parameterization/gaussian_levelset.py

@@ -1,6 +1,6 @@
 """Defines Gaussian radial basis function levelset parameterization.
 
-Copyright (c) 2023 The INVRS-IO authors.
+Copyright (c) 2025 invrs.io LLC
 """
 
 import dataclasses

invrs_opt/parameterization/pixel.py

@@ -1,6 +1,6 @@
 """Defines the direct pixel parameterization for density arrays.
 
-Copyright (c) 2023 The INVRS-IO authors.
+Copyright (c) 2025 invrs.io LLC
 """
 
 import dataclasses

invrs_opt/parameterization/transforms.py

@@ -1,6 +1,6 @@
 """Defines transforms for custom types and bare jax arrays.
 
-Copyright (c) 2023 The INVRS-IO authors.
+Copyright (c) 2025 invrs.io LLC
 """
 
 from typing import Tuple, Union

invrs_opt-0.12.0.dist-info/METADATA

@@ -0,0 +1,78 @@
+Metadata-Version: 2.4
+Name: invrs_opt
+Version: 0.12.0
+Summary: Algorithms for inverse design
+Author-email: "Martin F. Schubert" <mfschubert@gmail.com>
+Maintainer-email: "Martin F. Schubert" <mfschubert@gmail.com>
+License: MIT License
+        
+        Copyright (c) 2025 invrs.io LLC
+        
+        Permission is hereby granted, free of charge, to any person obtaining a copy
+        of this software and associated documentation files (the "Software"), to deal
+        in the Software without restriction, including without limitation the rights
+        to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
+        copies of the Software, and to permit persons to whom the Software is
+        furnished to do so, subject to the following conditions:
+        
+        The above copyright notice and this permission notice shall be included in all
+        copies or substantial portions of the Software.
+        
+        THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+        IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
+        FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
+        AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
+        LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
+        OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
+        SOFTWARE.
+        
+Keywords: topology,optimization,jax,inverse design
+Requires-Python: >=3.7
+Description-Content-Type: text/markdown
+License-File: LICENSE
+Requires-Dist: jax>=0.4.27
+Requires-Dist: jaxlib
+Requires-Dist: numpy
+Requires-Dist: requests
+Requires-Dist: optax
+Requires-Dist: scipy>=1.15.0
+Requires-Dist: totypes
+Requires-Dist: types-requests
+Provides-Extra: tests
+Requires-Dist: parameterized; extra == "tests"
+Requires-Dist: pytest; extra == "tests"
+Requires-Dist: pytest-cov; extra == "tests"
+Requires-Dist: pytest-subtests; extra == "tests"
+Provides-Extra: dev
+Requires-Dist: bump-my-version; extra == "dev"
+Requires-Dist: darglint; extra == "dev"
+Requires-Dist: mypy; extra == "dev"
+Requires-Dist: pre-commit; extra == "dev"
+Dynamic: license-file
+
+# invrs-opt - Optimization algorithms for inverse design
+![Continuous integration](https://github.com/invrs-io/opt/actions/workflows/build-ci.yml/badge.svg)
+![PyPI version](https://img.shields.io/pypi/v/invrs-opt)
+
+## Overview
+
+The `invrs-opt` package defines an optimizer API intended for topology optimization, inverse design, or AI-guided design. It (currently) implements the L-BFGS-B optimization algorithm along with some variants. The API is intended to be general so that new algorithms can be accommodated, and is inspired by the functional optimizer approach used in jax. Example usage is as follows:
+
+```python
+initial_params = ...
+
+optimizer = invrs_opt.lbfgsb()
+state = optimizer.init(initial_params)
+
+for _ in range(steps):
+    params = optimizer.params(state)
+    value, grad = jax.value_and_grad(loss_fn)(params)
+    state = optimizer.update(grad=grad, value=value, params=params, state=state)
+```
+
+Optimizers in `invrs-opt` are compatible with custom types defined in the [totypes](https://github.com/invrs-io/totypes) package. The basic `lbfgsb` optimizer enforces bounds for custom types, while the `density_lbfgsb` optimizer implements a filter-and-threshold operation for `DensityArray2D` types to ensure that solutions have the correct length scale.
+
+## Install
+```
+pip install invrs_opt
+```

invrs_opt-0.12.0.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=skok5ezZj1twa_bxDbhNgXgJ6inawXwGmHKaSPk5V6k,4900
+invrs_opt/experimental/labels.py,sha256=YgkQTq62AFxkDdLS8iQnUUoYjxyC01XXdwBa_PY9O8E,553
+invrs_opt/optimizers/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
+invrs_opt/optimizers/base.py,sha256=dIEAy6HL7QCqzLXSfaLLJh_d283__yqH6EVpKklCxmM,1297
+invrs_opt/optimizers/lbfgsb.py,sha256=jQmthq8fjX41nl1Xk8X_0Of-ae2ZiX4vtiYkmuvmmE0,37050
+invrs_opt/optimizers/wrapped_optax.py,sha256=KEZYa8OhX3UtQzIgfDBRDIiH15fztxXskxnRpx95vec,14152
+invrs_opt/parameterization/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
+invrs_opt/parameterization/base.py,sha256=hUrdQFcT0Mz85gveDdav2mUuMW7hU1ZJzVb8YMRJwCA,6530
+invrs_opt/parameterization/filter_project.py,sha256=UXfrpdO-NPYYnVSXSj07OQb6CSYC3U2JcH_7eS5kH3A,4581
+invrs_opt/parameterization/gaussian_levelset.py,sha256=bjFjrJPDk0tmhO-sCQ326L4I6jROZX7Z04PVafmAS9Q,24817
+invrs_opt/parameterization/pixel.py,sha256=sG7pcupr9EPEK106dJSMKSgca_-av8JSUxFjtoO7QEM,1946
+invrs_opt/parameterization/transforms.py,sha256=nr4CCKl2Wm4OixLlLKH0oz8tkX1T3n0VYsam8-UjloE,9432
+invrs_opt-0.12.0.dist-info/licenses/LICENSE,sha256=3G_iFLh34YDwPMkRhyw_EZc7FCn0i3PV6Zc9BzcXdsI,1069
+invrs_opt-0.12.0.dist-info/METADATA,sha256=9cGIsXH3wfYECFWxe2nVFChTp8M2GNQaDTnS5JuZ0e8,3517
+invrs_opt-0.12.0.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
+invrs_opt-0.12.0.dist-info/top_level.txt,sha256=hOziS2uJ_NgwaW9yhtOfeuYnm1X7vobPBcp_6eVWKfM,10
+invrs_opt-0.12.0.dist-info/RECORD,,

invrs_opt-0.12.0.dist-info/licenses/LICENSE

@@ -0,0 +1,21 @@
+MIT License
+
+Copyright (c) 2025 invrs.io LLC
+
+Permission is hereby granted, free of charge, to any person obtaining a copy
+of this software and associated documentation files (the "Software"), to deal
+in the Software without restriction, including without limitation the rights
+to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
+copies of the Software, and to permit persons to whom the Software is
+furnished to do so, subject to the following conditions:
+
+The above copyright notice and this permission notice shall be included in all
+copies or substantial portions of the Software.
+
+THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
+FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
+AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
+LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
+OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
+SOFTWARE.