dcoupler 0.2.0__tar.gz

dcoupler-0.2.0/LICENSE

@@ -0,0 +1,191 @@
+
+                                 Apache License
+                           Version 2.0, January 2004
+                        http://www.apache.org/licenses/
+
+   TERMS AND CONDITIONS FOR USE, REPRODUCTION, AND DISTRIBUTION
+
+   1. Definitions.
+
+      "License" shall mean the terms and conditions for use, reproduction,
+      and distribution as defined by Sections 1 through 9 of this document.
+
+      "Licensor" shall mean the copyright owner or entity authorized by
+      the copyright owner that is granting the License.
+
+      "Legal Entity" shall mean the union of the acting entity and all
+      other entities that control, are controlled by, or are under common
+      control with that entity. For the purposes of this definition,
+      "control" means (i) the power, direct or indirect, to cause the
+      direction or management of such entity, whether by contract or
+      otherwise, or (ii) ownership of fifty percent (50%) or more of the
+      outstanding shares, or (iii) beneficial ownership of such entity.
+
+      "You" (or "Your") shall mean an individual or Legal Entity
+      exercising permissions granted by this License.
+
+      "Source" form shall mean the preferred form for making modifications,
+      including but not limited to software source code, documentation
+      source, and configuration files.
+
+      "Object" form shall mean any form resulting from mechanical
+      transformation or translation of a Source form, including but
+      not limited to compiled object code, generated documentation,
+      and conversions to other media types.
+
+      "Work" shall mean the work of authorship, whether in Source or
+      Object form, made available under the License, as indicated by a
+      copyright notice that is included in or attached to the work
+      (an example is provided in the Appendix below).
+
+      "Derivative Works" shall mean any work, whether in Source or Object
+      form, that is based on (or derived from) the Work and for which the
+      editorial revisions, annotations, elaborations, or other modifications
+      represent, as a whole, an original work of authorship. For the purposes
+      of this License, Derivative Works shall not include works that remain
+      separable from, or merely link (or bind by name) to the interfaces of,
+      the Work and Derivative Works thereof.
+
+      "Contribution" shall mean any work of authorship, including
+      the original version of the Work and any modifications or additions
+      to that Work or Derivative Works thereof, that is intentionally
+      submitted to the Licensor for inclusion in the Work by the copyright owner
+      or by an individual or Legal Entity authorized to submit on behalf of
+      the copyright owner. For the purposes of this definition, "submitted"
+      means any form of electronic, verbal, or written communication sent
+      to the Licensor or its representatives, including but not limited to
+      communication on electronic mailing lists, source code control systems,
+      and issue tracking systems that are managed by, or on behalf of, the
+      Licensor for the purpose of discussing and improving the Work, but
+      excluding communication that is conspicuously marked or otherwise
+      designated in writing by the copyright owner as "Not a Contribution."
+
+      "Contributor" shall mean Licensor and any individual or Legal Entity
+      on behalf of whom a Contribution has been received by the Licensor and
+      subsequently incorporated within the Work.
+
+   2. Grant of Copyright License. Subject to the terms and conditions of
+      this License, each Contributor hereby grants to You a perpetual,
+      worldwide, non-exclusive, no-charge, royalty-free, irrevocable
+      copyright license to reproduce, prepare Derivative Works of,
+      publicly display, publicly perform, sublicense, and distribute the
+      Work and such Derivative Works in Source or Object form.
+
+   3. Grant of Patent License. Subject to the terms and conditions of
+      this License, each Contributor hereby grants to You a perpetual,
+      worldwide, non-exclusive, no-charge, royalty-free, irrevocable
+      (except as stated in this section) patent license to make, have made,
+      use, offer to sell, sell, import, and otherwise transfer the Work,
+      where such license applies only to those patent claims licensable
+      by such Contributor that are necessarily infringed by their
+      Contribution(s) alone or by combination of their Contribution(s)
+      with the Work to which such Contribution(s) was submitted. If You
+      institute patent litigation against any entity (including a
+      cross-claim or counterclaim in a lawsuit) alleging that the Work
+      or a Contribution incorporated within the Work constitutes direct
+      or contributory patent infringement, then any patent licenses
+      granted to You under this License for that Work shall terminate
+      as of the date such litigation is filed.
+
+   4. Redistribution. You may reproduce and distribute copies of the
+      Work or Derivative Works thereof in any medium, with or without
+      modifications, and in Source or Object form, provided that You
+      meet the following conditions:
+
+      (a) You must give any other recipients of the Work or
+          Derivative Works a copy of this License; and
+
+      (b) You must cause any modified files to carry prominent notices
+          stating that You changed the files; and
+
+      (c) You must retain, in the Source form of any Derivative Works
+          that You distribute, all copyright, patent, trademark, and
+          attribution notices from the Source form of the Work,
+          excluding those notices that do not pertain to any part of
+          the Derivative Works; and
+
+      (d) If the Work includes a "NOTICE" text file as part of its
+          distribution, then any Derivative Works that You distribute must
+          include a readable copy of the attribution notices contained
+          within such NOTICE file, excluding any notices that do not
+          pertain to any part of the Derivative Works, in at least one
+          of the following places: within a NOTICE text file distributed
+          as part of the Derivative Works; within the Source form or
+          documentation, if provided along with the Derivative Works; or,
+          within a display generated by the Derivative Works, if and
+          wherever such third-party notices normally appear. The contents
+          of the NOTICE file are for informational purposes only and
+          do not modify the License. You may add Your own attribution
+          notices within Derivative Works that You distribute, alongside
+          or as an addendum to the NOTICE text from the Work, provided
+          that such additional attribution notices cannot be construed
+          as modifying the License.
+
+      You may add Your own copyright statement to Your modifications and
+      may provide additional or different license terms and conditions
+      for use, reproduction, or distribution of Your modifications, or
+      for any such Derivative Works as a whole, provided Your use,
+      reproduction, and distribution of the Work otherwise complies with
+      the conditions stated in this License.
+
+   5. Submission of Contributions. Unless You explicitly state otherwise,
+      any Contribution intentionally submitted for inclusion in the Work
+      by You to the Licensor shall be under the terms and conditions of
+      this License, without any additional terms or conditions.
+      Notwithstanding the above, nothing herein shall supersede or modify
+      the terms of any separate license agreement you may have executed
+      with Licensor regarding such Contributions.
+
+   6. Trademarks. This License does not grant permission to use the trade
+      names, trademarks, service marks, or product names of the Licensor,
+      except as required for reasonable and customary use in describing the
+      origin of the Work and reproducing the content of the NOTICE file.
+
+   7. Disclaimer of Warranty. Unless required by applicable law or
+      agreed to in writing, Licensor provides the Work (and each
+      Contributor provides its Contributions) on an "AS IS" BASIS,
+      WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or
+      implied, including, without limitation, any warranties or conditions
+      of TITLE, NON-INFRINGEMENT, MERCHANTABILITY, or FITNESS FOR A
+      PARTICULAR PURPOSE. You are solely responsible for determining the
+      appropriateness of using or redistributing the Work and assume any
+      risks associated with Your exercise of permissions under this License.
+
+   8. Limitation of Liability. In no event and under no legal theory,
+      whether in tort (including negligence), contract, or otherwise,
+      unless required by applicable law (such as deliberate and grossly
+      negligent acts) or agreed to in writing, shall any Contributor be
+      liable to You for damages, including any direct, indirect, special,
+      incidental, or consequential damages of any character arising as a
+      result of this License or out of the use or inability to use the
+      Work (including but not limited to damages for loss of goodwill,
+      work stoppage, computer failure or malfunction, or any and all
+      other commercial damages or losses), even if such Contributor
+      has been advised of the possibility of such damages.
+
+   9. Accepting Warranty or Additional Liability. While redistributing
+      the Work or Derivative Works thereof, You may choose to offer,
+      and charge a fee for, acceptance of support, warranty, indemnity,
+      or other liability obligations and/or rights consistent with this
+      License. However, in accepting such obligations, You may act only
+      on Your own behalf and on Your sole responsibility, not on behalf
+      of any other Contributor, and only if You agree to indemnify,
+      defend, and hold each Contributor harmless for any liability
+      incurred by, or claims asserted against, such Contributor by reason
+      of your accepting any such warranty or additional liability.
+
+   END OF TERMS AND CONDITIONS
+
+   Copyright 2024 Darri Eythorsson
+
+   Licensed under the Apache License, Version 2.0 (the "License");
+   you may not use this file except in compliance with the License.
+   You may obtain a copy of the License at
+
+       http://www.apache.org/licenses/LICENSE-2.0
+
+   Unless required by applicable law or agreed to in writing, software
+   distributed under the License is distributed on an "AS IS" BASIS,
+   WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+   See the License for the specific language governing permissions and
+   limitations under the License.

dcoupler-0.2.0/PKG-INFO

@@ -0,0 +1,101 @@
+Metadata-Version: 2.4
+Name: dcoupler
+Version: 0.2.0
+Summary: Differentiable Earth System Coupler
+Author-email: Darri Eythorsson <darri.eythorsson@ucalgary.ca>
+License-Expression: Apache-2.0
+Project-URL: Repository, https://github.com/DarriEy/dcoupler
+Project-URL: Homepage, https://github.com/DarriEy/dcoupler
+Project-URL: Issues, https://github.com/DarriEy/dcoupler/issues
+Keywords: hydrology,differentiable,coupling,earth-system,pytorch
+Classifier: Development Status :: 3 - Alpha
+Classifier: Intended Audience :: Science/Research
+Classifier: Operating System :: OS Independent
+Classifier: Programming Language :: Python :: 3
+Classifier: Programming Language :: Python :: 3.10
+Classifier: Programming Language :: Python :: 3.11
+Classifier: Programming Language :: Python :: 3.12
+Classifier: Programming Language :: Python :: 3.13
+Classifier: Programming Language :: Python :: 3.14
+Classifier: Topic :: Scientific/Engineering :: Hydrology
+Classifier: Topic :: Scientific/Engineering :: Atmospheric Science
+Classifier: Typing :: Typed
+Requires-Python: >=3.10
+Description-Content-Type: text/markdown
+License-File: LICENSE
+Requires-Dist: torch>=2.0
+Requires-Dist: numpy
+Requires-Dist: scipy
+Requires-Dist: xarray
+Provides-Extra: jax
+Requires-Dist: jax>=0.4; extra == "jax"
+Requires-Dist: jaxlib; extra == "jax"
+Provides-Extra: models
+Provides-Extra: dev
+Requires-Dist: pytest; extra == "dev"
+Requires-Dist: pytest-cov; extra == "dev"
+Provides-Extra: all
+Requires-Dist: dcoupler[dev,jax]; extra == "all"
+Dynamic: license-file
+
+# dCoupler
+
+Differentiable Earth System Coupler — a PyTorch-based framework for building
+differentiable coupling graphs between hydrological and earth system model
+components.
+
+## Quickstart
+
+```bash
+pip install dcoupler
+```
+
+```python
+import torch
+import dcoupler as dc
+
+# Define two components
+class Bucket(dc.DifferentiableComponent):
+    ...
+
+class Router(dc.DifferentiableComponent):
+    ...
+
+# Build coupling graph
+graph = dc.CouplingGraph()
+graph.add_component(bucket)
+graph.add_component(router)
+graph.connect("bucket", "runoff", "router", "lateral_inflow")
+
+# Run forward
+outputs = graph.forward(external_inputs, n_timesteps=365, dt=86400)
+
+# Optimize via backprop
+loss = loss_fn(outputs, observations)
+loss.backward()
+optimizer.step()
+```
+
+## Component Types
+
+| Type | Gradient | Use Case |
+|------|----------|----------|
+| `DifferentiableComponent` | PyTorch autograd | Pure PyTorch models |
+| `JAXComponent` | JAX vjp via bridge | JAX models (XAJ, SAC-SMA, Snow-17) |
+| `ProcessComponent` | None / finite diff | External executables (SUMMA, MESH) |
+| `EnzymeComponent` | Enzyme AD | C++ models with Enzyme |
+
+All component types implement the `BMIMixin` protocol for standardized
+lifecycle management (initialize/update/finalize).
+
+## Optional Dependencies
+
+```bash
+pip install dcoupler[jax]     # JAX bridge support
+pip install dcoupler[models]  # cfuse + droute components
+pip install dcoupler[all]     # Everything
+```
+
+## License
+
+Apache 2.0 — see [LICENSE](LICENSE) for details.

dcoupler-0.2.0/README.md

@@ -0,0 +1,61 @@
+# dCoupler
+
+Differentiable Earth System Coupler — a PyTorch-based framework for building
+differentiable coupling graphs between hydrological and earth system model
+components.
+
+## Quickstart
+
+```bash
+pip install dcoupler
+```
+
+```python
+import torch
+import dcoupler as dc
+
+# Define two components
+class Bucket(dc.DifferentiableComponent):
+    ...
+
+class Router(dc.DifferentiableComponent):
+    ...
+
+# Build coupling graph
+graph = dc.CouplingGraph()
+graph.add_component(bucket)
+graph.add_component(router)
+graph.connect("bucket", "runoff", "router", "lateral_inflow")
+
+# Run forward
+outputs = graph.forward(external_inputs, n_timesteps=365, dt=86400)
+
+# Optimize via backprop
+loss = loss_fn(outputs, observations)
+loss.backward()
+optimizer.step()
+```
+
+## Component Types
+
+| Type | Gradient | Use Case |
+|------|----------|----------|
+| `DifferentiableComponent` | PyTorch autograd | Pure PyTorch models |
+| `JAXComponent` | JAX vjp via bridge | JAX models (XAJ, SAC-SMA, Snow-17) |
+| `ProcessComponent` | None / finite diff | External executables (SUMMA, MESH) |
+| `EnzymeComponent` | Enzyme AD | C++ models with Enzyme |
+
+All component types implement the `BMIMixin` protocol for standardized
+lifecycle management (initialize/update/finalize).
+
+## Optional Dependencies
+
+```bash
+pip install dcoupler[jax]     # JAX bridge support
+pip install dcoupler[models]  # cfuse + droute components
+pip install dcoupler[all]     # Everything
+```
+
+## License
+
+Apache 2.0 — see [LICENSE](LICENSE) for details.

dcoupler-0.2.0/dcoupler/__init__.py

@@ -0,0 +1,52 @@
+from dcoupler.core import (
+    CouplingGraph,
+    DifferentiableComponent,
+    FluxDirection,
+    FluxSpec,
+    GradientMethod,
+    ParameterSpec,
+    FluxConnection,
+    SpatialRemapper,
+    TemporalOrchestrator,
+    ConservationChecker,
+    BMIMixin,
+)
+from dcoupler.optimization import (
+    ParameterManager,
+    MultiObservationLoss,
+    LossTerm,
+    Trainer,
+    TrainingResult,
+)
+from dcoupler import observers as _observers
+from dcoupler import diagnostics as _diagnostics
+from dcoupler import utils as _utils
+from dcoupler.observers import *  # noqa: F401,F403
+from dcoupler.diagnostics import *  # noqa: F401,F403
+from dcoupler import losses as _losses
+from dcoupler import components as _components
+from dcoupler import wrappers as _wrappers
+from dcoupler.losses import *  # noqa: F401,F403
+from dcoupler.components import *  # noqa: F401,F403
+from dcoupler.wrappers import *  # noqa: F401,F403
+
+__version__ = "0.2.0"
+
+__all__ = [
+    "CouplingGraph",
+    "DifferentiableComponent",
+    "FluxDirection",
+    "FluxSpec",
+    "GradientMethod",
+    "ParameterSpec",
+    "FluxConnection",
+    "SpatialRemapper",
+    "TemporalOrchestrator",
+    "ConservationChecker",
+    "BMIMixin",
+    "ParameterManager",
+    "MultiObservationLoss",
+    "LossTerm",
+    "Trainer",
+    "TrainingResult",
+] + _losses.__all__ + _components.__all__ + _wrappers.__all__ + _observers.__all__ + _diagnostics.__all__ + _utils.__all__

dcoupler-0.2.0/dcoupler/components/__init__.py

@@ -0,0 +1,13 @@
+__all__ = []
+
+try:
+    from .fuse import FUSEComponent
+    __all__.append("FUSEComponent")
+except Exception:
+    FUSEComponent = None  # type: ignore
+
+try:
+    from .routing import MuskingumCungeRouting
+    __all__.append("MuskingumCungeRouting")
+except Exception:
+    MuskingumCungeRouting = None  # type: ignore

dcoupler-0.2.0/dcoupler/components/fuse.py

@@ -0,0 +1,193 @@
+from __future__ import annotations
+
+from typing import Dict, List, Optional
+import torch
+import torch.nn as nn
+
+from dcoupler.core.component import (
+    DifferentiableComponent,
+    FluxDirection,
+    FluxSpec,
+    GradientMethod,
+    ParameterSpec,
+)
+
+try:
+    import cfuse
+    import cfuse_core
+    from cfuse.torch import DifferentiableFUSEBatch
+except ImportError:
+    cfuse = None
+    cfuse_core = None
+    DifferentiableFUSEBatch = None
+
+
+class FUSEComponent(DifferentiableComponent, nn.Module):
+    """FUSE component wrapper using DifferentiableFUSEBatch."""
+
+    def __init__(
+        self,
+        name: str,
+        fuse_config,
+        n_hrus: int,
+        dt: float = 86400.0,
+        spatial_params: bool = True,
+        n_states: Optional[int] = None,
+    ) -> None:
+        super().__init__()
+        if DifferentiableFUSEBatch is None or cfuse is None:
+            raise RuntimeError("cfuse and DifferentiableFUSEBatch are required for FUSEComponent")
+        if fuse_config is None:
+            raise ValueError("fuse_config is required")
+
+        self._name = name
+        self.fuse_config = fuse_config
+        self.config_dict = fuse_config.to_dict() if hasattr(fuse_config, "to_dict") else fuse_config
+        self.n_hrus = n_hrus
+        self.dt_seconds = float(dt)
+        self.dt_days = self.dt_seconds / 86400.0
+        self.spatial_params = spatial_params
+
+        if n_states is None:
+            if cfuse_core is None:
+                raise RuntimeError("cfuse_core required to infer state size")
+            self.n_states = int(cfuse_core.get_num_active_states(self.config_dict))
+        else:
+            self.n_states = int(n_states)
+
+        self.param_names = list(cfuse.PARAM_NAMES)
+        self.n_params = len(self.param_names)
+        lowers = torch.tensor([cfuse.PARAM_BOUNDS[n][0] for n in self.param_names], dtype=torch.float32)
+        uppers = torch.tensor([cfuse.PARAM_BOUNDS[n][1] for n in self.param_names], dtype=torch.float32)
+        self.register_buffer("param_lower", lowers)
+        self.register_buffer("param_upper", uppers)
+
+        self._raw_params = nn.ParameterList()
+        for _ in range(self.n_params):
+            if self.spatial_params:
+                init = torch.zeros(self.n_hrus) + torch.randn(self.n_hrus) * 0.2
+            else:
+                init = torch.zeros(())
+            self._raw_params.append(nn.Parameter(init))
+
+    @property
+    def name(self) -> str:
+        return self._name
+
+    @property
+    def input_fluxes(self) -> List[FluxSpec]:
+        return [
+            FluxSpec(
+                name="forcing",
+                units="mixed",
+                direction=FluxDirection.INPUT,
+                spatial_type="hru",
+                temporal_resolution=self.dt_seconds,
+                dims=("time", "hru", "var"),
+                optional=False,
+            )
+        ]
+
+    @property
+    def output_fluxes(self) -> List[FluxSpec]:
+        return [
+            FluxSpec(
+                name="runoff",
+                units="mm/day",
+                direction=FluxDirection.OUTPUT,
+                spatial_type="hru",
+                temporal_resolution=self.dt_seconds,
+                dims=("time", "hru"),
+                conserved_quantity="water_mass",
+            )
+        ]
+
+    @property
+    def parameters(self) -> List[ParameterSpec]:
+        specs: List[ParameterSpec] = []
+        for i, name in enumerate(self.param_names):
+            specs.append(
+                ParameterSpec(
+                    name=name,
+                    lower_bound=float(self.param_lower[i].item()),
+                    upper_bound=float(self.param_upper[i].item()),
+                    spatial=self.spatial_params,
+                    n_spatial=self.n_hrus if self.spatial_params else None,
+                    log_transform=False,
+                )
+            )
+        return specs
+
+    @property
+    def gradient_method(self) -> GradientMethod:
+        return GradientMethod.ENZYME
+
+    @property
+    def state_size(self) -> int:
+        return self.n_states
+
+    @property
+    def requires_batch(self) -> bool:
+        return True
+
+    def get_initial_state(self) -> torch.Tensor:
+        state = torch.zeros(self.n_hrus, self.n_states)
+        if self.n_states > 0:
+            state[:, 0] = 50.0
+        if self.n_states > 1:
+            state[:, 1] = 20.0
+        if self.n_states > 2:
+            state[:, 2] = 200.0
+        return state
+
+    def _raw_param_matrix(self) -> torch.Tensor:
+        if self.spatial_params:
+            return torch.stack(list(self._raw_params), dim=1)
+        return torch.stack(list(self._raw_params), dim=0)
+
+    def get_physical_parameters(self) -> Dict[str, torch.Tensor]:
+        raw = self._raw_param_matrix()
+        if self.spatial_params:
+            phys = self.param_lower + (self.param_upper - self.param_lower) * torch.sigmoid(raw)
+        else:
+            phys = self.param_lower + (self.param_upper - self.param_lower) * torch.sigmoid(raw)
+        return {name: phys[:, i] if self.spatial_params else phys[i] for i, name in enumerate(self.param_names)}
+
+    def _physical_param_tensor(self) -> torch.Tensor:
+        raw = self._raw_param_matrix()
+        if self.spatial_params:
+            return self.param_lower + (self.param_upper - self.param_lower) * torch.sigmoid(raw)
+        return self.param_lower + (self.param_upper - self.param_lower) * torch.sigmoid(raw)
+
+    def step(
+        self,
+        inputs: Dict[str, torch.Tensor],
+        state: torch.Tensor,
+        dt: float,
+    ):
+        raise RuntimeError("FUSEComponent requires batch execution")
+
+    def run(
+        self,
+        inputs: Dict[str, torch.Tensor],
+        state: torch.Tensor,
+        dt: float,
+        n_timesteps: int,
+    ):
+        forcing = inputs.get("forcing")
+        if forcing is None:
+            raise ValueError("Missing required input 'forcing'")
+        phys_params = self._physical_param_tensor()
+        if state is None:
+            state = self.get_initial_state().to(forcing.device)
+        runoff = DifferentiableFUSEBatch.apply(
+            phys_params,
+            state,
+            forcing,
+            self.config_dict,
+            self.dt_days,
+        )
+        return {"runoff": runoff}, state
+
+    def get_torch_parameters(self) -> List[torch.nn.Parameter]:
+        return list(self._raw_params)