Prepare KoopmanGraph 0.16.0 release

CHANGELOG.md

@@ -7,11 +7,26 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0
 
 ## [Unreleased]
 
+## [0.16.0] - 2026-10-15
+
+Mass-action reaction-network datasets under
+`koopman_graph.datasets.reaction`, with exact oracle references
+(equilibria, conservation laws, Jacobian spectra and timescales) for
+checking whether a learned latent operator recovers kinetic timescales
+and respects conservation. `ReactionNetworkBenchmark` is the only new
+name in `koopman_graph.datasets`; the root `__all__`, homogeneous
+scientific defaults, and the linear latent operator contract are
+unchanged (`koopman=None` still selects `"pernode"`). SciPy and Cantera
+stay optional behind the new `[reaction]` / `[cantera]` extras.
+`FORMAT_VERSION` stays 1.
+
 ### Added
 
-- `koopman_graph.datasets.reaction` skeleton: module docstring, empty
-  `__all__`, placeholder submodules, and a `data/` directory for packaged
-  JSON. Not exported from `koopman_graph.datasets` or the root `__all__`.
+- `koopman_graph.datasets.reaction` subpackage (pure PyTorch unless an
+  optional extra is used) with the modules below and packaged FAIR cards
+  under `reaction/data/`. Its names are exported from the subpackage;
+  only `ReactionNetworkBenchmark` is added to `koopman_graph.datasets`,
+  and the root `__all__` is unchanged.
 - `koopman_graph.datasets.reaction.system`: frozen `ReactionSystem`
   (reactant / product stoichiometry, mass-action rates and right-hand side,
   stoichiometric matrix, linearity check, optional element matrix and
@@ -1289,6 +1304,7 @@ claimed wall-time percentages.
 - Built-in benchmarks: synthetic diffusion, 2D grid, IEEE 118-bus, and METR-LA traffic loaders
 - Sphinx documentation, Jupyter tutorials, pytest suite with CI, and Apache-2.0 packaging for PyPI
 
+[0.16.0]: https://github.com/tjkessler/KoopmanGraph/compare/0.15.0...0.16.0
 [0.15.0]: https://github.com/tjkessler/KoopmanGraph/compare/0.14.0...0.15.0
 [0.14.0]: https://github.com/tjkessler/KoopmanGraph/compare/0.13.0...0.14.0
 [0.13.0]: https://github.com/tjkessler/KoopmanGraph/compare/0.12.0...0.13.0

CITATION.cff

@@ -13,8 +13,8 @@ authors:
 repository-code: "https://github.com/tjkessler/KoopmanGraph"
 url: "https://koopmangraph.readthedocs.io/"
 license: Apache-2.0
-version: 0.15.0
-date-released: 2026-08-19
+version: 0.16.0
+date-released: 2026-10-15
 doi: 10.5281/zenodo.22045904
 identifiers:
   - type: doi

README.md

@@ -154,10 +154,11 @@ Featured tutorials: [01 synthetic](https://github.com/tjkessler/KoopmanGraph/blo
 - [Installation](https://koopmangraph.readthedocs.io/en/latest/installation.html) — dependencies, install paths, and CI platforms
 - [CLI](https://koopmangraph.readthedocs.io/en/latest/cli.html) — `koopman-graph train` / `predict` / `benchmark` config workflow
 - [SECURITY.md](SECURITY.md) — supported versions and checkpoint trust boundaries
-- What’s new in 0.15.0: opt-in closed-form identification, identity-bound
-  benchmark manifests, polynomial graph filters, Nyquist / conditioning
-  diagnostics, and graph-state / cochain / matrix-free MVPs — defaults
-  unchanged vs 0.14.0; see [CHANGELOG.md](CHANGELOG.md).
+- What’s new in 0.16.0: mass-action reaction-network datasets
+  (`ReactionNetworkBenchmark`, `koopman_graph.datasets.reaction`) with
+  oracle equilibria, conservation laws, and kinetic timescales; optional
+  `[reaction]` (SciPy stiff solvers) and `[cantera]` extras — defaults
+  unchanged vs 0.15.0; see [CHANGELOG.md](CHANGELOG.md).
 
 ## Related software
 
@@ -182,7 +183,7 @@ If you use KoopmanGraph in research, please cite:
   publisher    = {Zenodo},
   doi          = {10.5281/zenodo.22045904},
   url          = {https://github.com/tjkessler/KoopmanGraph},
-  version      = {0.15.0},
+  version      = {0.16.0},
 }
 ```
 

SECURITY.md

@@ -7,7 +7,7 @@ Security updates are provided for the **latest published release** of
 
 | Version lineage | Security updates |
 | --------------- | ---------------- |
-| Latest PyPI release (currently the 0.15.x line) | Supported |
+| Latest PyPI release (currently the 0.16.x line) | Supported |
 | Older published majors/minors | Not regularly backported |
 
 Check the installed version with:

docs/source/index.rst

@@ -7,13 +7,15 @@ space, a learned linear operator advances those states, and a matching decoder
 reconstructs physical node features for multi-step forecasting and spectral
 analysis.
 
-Version **0.15.0** is an integration increment on the 0.14 stack: opt-in
-closed-form identification, identity-bound benchmark manifests,
-polynomial graph filters, Nyquist / conditioning diagnostics, and
-labeled research MVPs (graph-state closure, cochain dynamics,
-matrix-free algebra, residual-tube MPC). Homogeneous scientific
-defaults and the linear latent operator contract are unchanged
-relative to 0.14.0 (factory ``koopman=None`` still selects
+Version **0.16.0** adds mass-action reaction-network datasets
+(:class:`~koopman_graph.datasets.ReactionNetworkBenchmark` and
+:mod:`koopman_graph.datasets.reaction`) whose FAIR cards carry oracle
+equilibria, conservation laws, and Jacobian timescales, for checking
+whether a learned latent operator recovers kinetic timescales and
+respects conservation. SciPy stiff solvers and Cantera mechanisms stay
+behind the optional ``[reaction]`` / ``[cantera]`` extras. Homogeneous
+scientific defaults and the linear latent operator contract are
+unchanged relative to 0.15.0 (factory ``koopman=None`` still selects
 ``"pernode"``; ``sparsity="dense"``; AMP off). ``FORMAT_VERSION``
 stays 1. See :doc:`capabilities` for the full inventory,
 :doc:`limitations` for the honesty ceilings, and :doc:`architecture`

docs/source/installation.rst

@@ -252,8 +252,8 @@ version with the tag you intend; see PyPI and ``CHANGELOG.md``):
 
 .. code-block:: bash
 
-   pip install koopman-graph==0.15.0
-   # or: uv pip install koopman-graph==0.15.0
+   pip install koopman-graph==0.16.0
+   # or: uv pip install koopman-graph==0.16.0
 
 YAML CLI configs from PyPI:
 

paper.bib

@@ -213,7 +213,7 @@ @misc{koopmangraph2026
   publisher = {Zenodo},
   doi = {10.5281/zenodo.22045904},
   url = {https://doi.org/10.5281/zenodo.22045904},
-  version = {0.15.0}
+  version = {0.16.0}
 }
 
 @inproceedings{Azencot2020,

src/koopman_graph/__init__.py

@@ -169,4 +169,4 @@
     "__version__",
     "compute_spectrum",
 ]
-__version__ = "0.15.0"
+__version__ = "0.16.0"