From 8a4d182fadb6d6064cecd1f86b43cbd1fac30688 Mon Sep 17 00:00:00 2001 From: Jan Zill Date: Tue, 13 Oct 2026 16:08:18 +1000 Subject: [PATCH 1/4] add py314 support, remove 3.10. Contains temporary local checkout for sharrow, remoev once py314 is merged. --- .github/workflows/ci.yml | 103 +- .github/workflows/docs.yml | 2 +- .github/workflows/release.yml | 2 +- .python-version | 2 +- envs/activitysim/environment.yaml | 4 +- envs/arboretum.yml | 2 +- envs/development.yaml | 2 +- envs/uv-activitysim.sh | 2 +- envs/windows.yaml | 2 +- pyproject.toml | 24 +- src/larch/model/constraints.py | 6 + src/larch/model/gradient_check.py | 5 +- src/larch/model/numbamodel.py | 5 +- src/larch/model/optimization.py | 9 +- src/larch/optimize.py | 8 +- tests/test_vehicle.py | 9 +- uv.lock | 1817 ++++++++++++----------------- 17 files changed, 916 insertions(+), 1088 deletions(-) diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index 762c4489..97463ef6 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -6,6 +6,10 @@ on: branches: [ main ] workflow_dispatch: +env: + # Temporary until Sharrow publishes its Python 3.14 AST compatibility fixes. + SHARROW_REVISION: 56a41c760d020537dc551afa946ebf2f83d1c85a + jobs: test-dev-install: name: developer install @@ -13,17 +17,36 @@ jobs: defaults: run: shell: bash -l {0} + working-directory: larch steps: - name: checkout uses: actions/checkout@v4 + with: + path: larch + - name: checkout compatible Sharrow + uses: actions/checkout@v4 + with: + repository: outerl/sharrow + ref: ${{ env.SHARROW_REVISION }} + path: sharrow + - name: Install uv + uses: astral-sh/setup-uv@v3 + with: + enable-cache: true + - name: Set up Python + uses: actions/setup-python@v5 + with: + python-version-file: "larch/.python-version" - name: setup graphviz uses: ts-graphviz/setup-graphviz@v2 - - name: run developer install script - run: bash envs/uv-dev.sh -d . + - name: install developer dependencies + run: uv sync --locked --all-extras + - name: generate example modules + run: uv run --no-sync python tools/rip_examples.py - name: review environment run: uv pip list - name: run tests - run: uv run pytest + run: uv run --no-sync pytest build-wheel: name: ๐Ÿ›ž build wheel @@ -37,7 +60,6 @@ jobs: with: fetch-depth: 0 fetch-tags: true - submodules: recursive - name: Install uv uses: astral-sh/setup-uv@v3 with: @@ -45,41 +67,100 @@ jobs: - name: "Set up Python" uses: actions/setup-python@v5 with: - python-version-file: "pyproject.toml" + python-version: "3.14" - name: build wheel - run: uv build + run: | + python tools/rip_examples.py + uv build --no-sources - name: Upload wheel artifact uses: actions/upload-artifact@v4 with: name: wheels path: dist + build-sharrow-wheel: + name: ๐Ÿ›ž build compatible Sharrow wheel + runs-on: ubuntu-latest + steps: + - name: checkout compatible Sharrow + uses: actions/checkout@v4 + with: + repository: outerl/sharrow + ref: ${{ env.SHARROW_REVISION }} + - name: Install uv + uses: astral-sh/setup-uv@v3 + - name: Set up Python + uses: actions/setup-python@v5 + with: + python-version: "3.14" + - name: build dependency wheel + env: + SETUPTOOLS_SCM_PRETEND_VERSION_FOR_SHARROW: 2.16.2+py314.56a41c7 + run: uv build --wheel --no-sources + - name: Upload dependency wheel + uses: actions/upload-artifact@v4 + with: + name: sharrow-py314-wheel + path: dist/*.whl + test-wheel: name: ๐Ÿงช test wheel - needs: build-wheel + needs: [build-wheel, build-sharrow-wheel] runs-on: ubuntu-latest strategy: matrix: - python-version: [ '3.10', '3.11', '3.12', '3.13' ] + python-version: [ '3.11', '3.12', '3.13', '3.14' ] + fail-fast: false defaults: run: shell: bash -l {0} steps: + - name: checkout tests + uses: actions/checkout@v4 - name: Install uv uses: astral-sh/setup-uv@v3 - name: "Set up Python" uses: actions/setup-python@v5 with: python-version: ${{ matrix.python-version }} + - name: setup graphviz + uses: ts-graphviz/setup-graphviz@v2 - name: Download wheel artifact uses: actions/download-artifact@v4 with: name: wheels path: dist + - name: Download compatible Sharrow wheel + if: matrix.python-version == '3.14' + uses: actions/download-artifact@v4 + with: + name: sharrow-py314-wheel + path: dependencies - name: Install wheel run: | - uv venv - uv pip install dist/*.whl + uv venv --python "${{ matrix.python-version }}" + wheels=(dist/*.whl) + dependency_wheels=() + if [[ "${{ matrix.python-version }}" == "3.14" ]]; then + dependency_wheels=(dependencies/*.whl) + fi + uv pip install --only-binary :all: "${wheels[0]}[test]" "${dependency_wheels[@]}" + uv pip check + - name: Verify installed wheel + run: | + .venv/bin/python - <<'PY' + from pathlib import Path + import sys + import larch + from sharrow.aster import expression_for_numba + + assert Path(larch.__file__).is_relative_to(Path(sys.prefix)) + assert larch.examples.ex, "Generated examples are missing from the wheel" + expression_for_numba( + "skims['DIST']", spacename="skims", dim_slots=(0,), spacevars={"DIST"} + ) + print(larch.versions()) + PY - name: Run tests run: | - uv run python -c "import larch; print(larch.versions())" + .venv/bin/python -m pytest tests -o addopts='' diff --git a/.github/workflows/docs.yml b/.github/workflows/docs.yml index 1822358f..148bf428 100644 --- a/.github/workflows/docs.yml +++ b/.github/workflows/docs.yml @@ -25,7 +25,7 @@ jobs: - name: Set up Python uses: actions/setup-python@v5 with: - python-version: "3.10" + python-version: "3.11" - name: Build wheel run: | python tools/rip_examples.py diff --git a/.github/workflows/release.yml b/.github/workflows/release.yml index dc0c73c3..44060176 100644 --- a/.github/workflows/release.yml +++ b/.github/workflows/release.yml @@ -25,7 +25,7 @@ jobs: - name: Set up Python uses: actions/setup-python@v5 with: - python-version: "3.10" + python-version: "3.11" - name: Build wheel run: | python tools/rip_examples.py diff --git a/.python-version b/.python-version index 24ee5b1b..6324d401 100644 --- a/.python-version +++ b/.python-version @@ -1 +1 @@ -3.13 +3.14 diff --git a/envs/activitysim/environment.yaml b/envs/activitysim/environment.yaml index ea209e0d..8042d481 100644 --- a/envs/activitysim/environment.yaml +++ b/envs/activitysim/environment.yaml @@ -2,7 +2,7 @@ channels: - conda-forge - nodefaults dependencies: - - python=3.10 + - python=3.11 - pip - addicty - altair @@ -32,7 +32,7 @@ dependencies: - numpy>=1.26 - openmatrix - openpyxl - - pandas=1.4.* + - pandas>=2.1 - pathspec - pillow - platformdirs diff --git a/envs/arboretum.yml b/envs/arboretum.yml index b96fcaeb..f09ebd18 100644 --- a/envs/arboretum.yml +++ b/envs/arboretum.yml @@ -4,7 +4,7 @@ channels: - conda-forge - nodefaults dependencies: - - python=3.10 + - python=3.11 - pip - addicty - dask diff --git a/envs/development.yaml b/envs/development.yaml index 987ceffc..d653c9fc 100644 --- a/envs/development.yaml +++ b/envs/development.yaml @@ -2,7 +2,7 @@ channels: - conda-forge - nodefaults dependencies: - - python=3.10 + - python=3.11 - pip - addicty - altair diff --git a/envs/uv-activitysim.sh b/envs/uv-activitysim.sh index 80e4300a..feb68c9d 100644 --- a/envs/uv-activitysim.sh +++ b/envs/uv-activitysim.sh @@ -96,7 +96,7 @@ cd -- "${TARGET_DIR}" eval "$(conda shell.bash hook)" # create a conda environment -conda create -p .env/${TARGET_KERNEL} python=3.10 --yes +conda create -p .env/${TARGET_KERNEL} python=3.11 --yes # activate the conda environment conda activate .env/${TARGET_KERNEL} diff --git a/envs/windows.yaml b/envs/windows.yaml index dd57bd27..7429d6a8 100644 --- a/envs/windows.yaml +++ b/envs/windows.yaml @@ -2,7 +2,7 @@ channels: - conda-forge - nodefaults dependencies: - - python=3.10 + - python=3.11 - pip - addicty - altair diff --git a/pyproject.toml b/pyproject.toml index 39a90915..5642d124 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -26,18 +26,19 @@ dependencies = [ "xmle >=0.1.25", "rich", "sparse", - "scipy >=1.15,<1.16", + "scipy >=1.15", "Jinja2", - "sharrow >=2.15" + "sharrow >=2.16.2" ] readme = "README.md" -requires-python = ">= 3.10" +requires-python = ">= 3.11" [project.optional-dependencies] # development dependency groups test = [ "pytest >=4.6", - "jax >=0.6,<0.7", + "ipython", + "jax >=0.6,<0.9", "tables", "geopandas", "matplotlib", @@ -62,7 +63,12 @@ include = ["larch*"] namespaces = false [tool.setuptools.package-data] -data_warehouse = ["*.csv.gz", "*.omx", "*.zarr.zip", "*.parquet"] +larch = [ + "data_warehouse/*.csv.gz", + "data_warehouse/*.omx", + "data_warehouse/*.zip", + "data_warehouse/*.parquet", +] [tool.setuptools_scm] fallback_version = "6.0" @@ -87,7 +93,7 @@ testpaths = [ [tool.ruff] fix = true line-length = 88 -target-version = "py310" +target-version = "py311" extend-include = ["*.ipynb"] extend-exclude = ["sandbox"] @@ -129,7 +135,5 @@ ignore-overlong-task-comments = true convention = "numpy" [tool.uv.sources] -sharrow = { workspace = true } - -[tool.uv.workspace] -members = ["subs/*"] +# Local development uses the same Python 3.14 fixes as the CI dependency wheel. +sharrow = { path = "../sharrow", editable = true, marker = "python_version >= '3.14'" } diff --git a/src/larch/model/constraints.py b/src/larch/model/constraints.py index f88025a3..4d0019d4 100644 --- a/src/larch/model/constraints.py +++ b/src/larch/model/constraints.py @@ -116,9 +116,13 @@ def link_model(self, model, scale=None): self.cmax_den = 0 def _min_fun(self, x): + if isinstance(x, pd.Series): + x = x.to_numpy() return x[self.i_num] * self.cmin_num + x[self.i_den] * self.cmin_den def _max_fun(self, x): + if isinstance(x, pd.Series): + x = x.to_numpy() return x[self.i_num] * self.cmax_num + x[self.i_den] * self.cmax_den def fun(self, x): @@ -271,6 +275,8 @@ def link_model(self, model, scale=None): self.scale = scale def fun(self, x): + if isinstance(x, pd.Series): + x = x.to_numpy() return (x[self.i_more] - x[self.i_less]) * self.scale def jac(self, x): diff --git a/src/larch/model/gradient_check.py b/src/larch/model/gradient_check.py index c346fb9a..e64295cf 100644 --- a/src/larch/model/gradient_check.py +++ b/src/larch/model/gradient_check.py @@ -260,7 +260,10 @@ def check_gradient( if not stylize: return f try: - return f.style.applymap(_color_poor_similarity, subset="similarity") + styler = f.style + if hasattr(styler, "map"): + return styler.map(_color_poor_similarity, subset="similarity") + return styler.applymap(_color_poor_similarity, subset="similarity") except ValueError: return f diff --git a/src/larch/model/numbamodel.py b/src/larch/model/numbamodel.py index db8eda88..5f4a7b11 100755 --- a/src/larch/model/numbamodel.py +++ b/src/larch/model/numbamodel.py @@ -2992,8 +2992,11 @@ def bold_if_signif(value): {"selector": "td", "props": [("border", "1px solid #e5e5e5")]}, ] ) - .applymap(bold_if_signif, subset=["signif"]) ) + if hasattr(output, "map"): + output = output.map(bold_if_signif, subset=["signif"]) + else: + output = output.applymap(bold_if_signif, subset=["signif"]) if caption: output.set_caption(caption).set_table_styles( [ diff --git a/src/larch/model/optimization.py b/src/larch/model/optimization.py index a036490f..ab539486 100644 --- a/src/larch/model/optimization.py +++ b/src/larch/model/optimization.py @@ -349,11 +349,14 @@ def callback(x, status=None): # args = getattr(model, "_null_slice", (0, -1, 1)) raw_result = minimize( - model.logloss, - model.pvals, + lambda params, *args: float(model.logloss(params, *args)), + np.asarray(model.pvals, dtype=np.float64), # args=args, method=method, - jac=model.d_logloss, + # SLSQP requires float64 even when a JAX model uses float32. + jac=lambda params, *args: np.asarray( + model.d_logloss(params, *args), dtype=np.float64 + ), bounds=bounds, callback=callback, options=options, diff --git a/src/larch/optimize.py b/src/larch/optimize.py index 2270940d..56192e73 100644 --- a/src/larch/optimize.py +++ b/src/larch/optimize.py @@ -148,7 +148,7 @@ def __neg_loglike(self, params): params=self.__rich_table(params), bestloglike=self._cached_loglike_best, ) - return result + return float(result) def jax_neg_d_loglike(self, *args, **kwargs): return -self.jax_d_loglike(*args, **kwargs) @@ -157,7 +157,9 @@ def __neg_d_loglike(self, *args, **kwargs): result = self.jax_neg_d_loglike(*args, **kwargs) result = result.at[self.pholdfast != 0].set(0) # zero out holdfast parameters self._latest_gradient = -result - return result + # SciPy's SLSQP implementation requires double precision inputs, + # including when JAX computes the gradient in single precision. + return np.asarray(result, dtype=np.float64) def _check_if_best(self, computed_ll, pvalues=None): if np.isnan(computed_ll): @@ -229,7 +231,7 @@ def jax_maximize_loglike( self.dashboard.update_content(status="[yellow]optimizing parameters...") result = minimize( self.__neg_loglike, - self.pvals, + np.asarray(self.pvals, dtype=np.float64), jac=self.__neg_d_loglike, method=method, **kwargs, diff --git a/tests/test_vehicle.py b/tests/test_vehicle.py index 69994620..a1c25a01 100644 --- a/tests/test_vehicle.py +++ b/tests/test_vehicle.py @@ -3,6 +3,8 @@ import jax # noqa: F401 import numpy 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src/larch/optimize.py | 83 +++++++++++--- tests/test_constraints.py | 210 ++++++++++++++++++++++++++++++++++ tests/test_mtc.py | 13 ++- uv.lock | 8 +- 5 files changed, 301 insertions(+), 25 deletions(-) create mode 100644 tests/test_constraints.py diff --git a/src/larch/model/numbamodel.py b/src/larch/model/numbamodel.py index 5f4a7b11..cf6bd61a 100755 --- a/src/larch/model/numbamodel.py +++ b/src/larch/model/numbamodel.py @@ -29,7 +29,7 @@ from .numba_stream import ModelStreamer if TYPE_CHECKING: - import altair.vegalite.v5.api + import altair if not list(Path(__file__).parent.glob("__pycache__/numbamodel.*.nbc")): warnings.warn( ## Good news, everyone! ## ) @@ -2138,13 +2138,17 @@ def logloss( ) return -result / self.total_weight() - def neg_d_loglike(self, x=None, start_case=0, stop_case=-1, step_case=1, **kwargs): + def neg_d_loglike( + self, x=None, start_case=None, stop_case=None, step_case=None, **kwargs + ): result = self.d_loglike( x, start_case=start_case, stop_case=stop_case, step_case=step_case, **kwargs ) return -np.asarray(result) - def d_logloss(self, x=None, start_case=0, stop_case=-1, step_case=1, **kwargs): + def d_logloss( + self, x=None, start_case=None, stop_case=None, step_case=None, **kwargs + ): result = self.d_loglike( x, start_case=start_case, stop_case=stop_case, step_case=step_case, **kwargs ) @@ -3028,7 +3032,7 @@ def analyze_predictions_co_figure( width: int = 400, alt_labels: Literal["id", "name"] = "name", bins=None, - ) -> altair.vegalite.v5.api.FacetChart: + ) -> altair.FacetChart: """ Create an Altair figure of the model's predictions based on idco attributes. diff --git a/src/larch/optimize.py b/src/larch/optimize.py index 56192e73..2da4996e 100644 --- a/src/larch/optimize.py +++ b/src/larch/optimize.py @@ -6,7 +6,7 @@ import numpy as np from rich.table import Table -from scipy.optimize import Bounds, minimize +from scipy.optimize import Bounds, LinearConstraint, NonlinearConstraint, minimize from ._optional import jax, jnp from .compiled import jitmethod @@ -214,11 +214,41 @@ def jax_maximize_loglike( throttle=dashboard_update if dashboard else 9999, ) try: + model_constraints = getattr(self, "constraints", ()) + if model_constraints: + if method.lower() in {"slsqp", "cobyla"}: + constraints = [ + constraint + for model_constraint in model_constraints + for constraint in model_constraint.as_constraint_dicts() + ] + elif method.lower() == "trust-constr": + constraints = [ + constraint + for model_constraint in model_constraints + for constraint in model_constraint.as_linear_constraints() + ] + else: + raise ValueError( + f"{method} does not support model constraints; " + "use SLSQP, COBYLA, or trust-constr" + ) + supplied_constraints = kwargs.get("constraints") + if supplied_constraints is not None: + if isinstance( + supplied_constraints, + (dict, LinearConstraint, NonlinearConstraint), + ): + constraints.append(supplied_constraints) + else: + constraints.extend(supplied_constraints) + kwargs["constraints"] = constraints if method.lower() in { "nelder-mead", "l-bfgs-b", "tnc", "slsqp", + "cobyla", "powell", "trust-constr", }: @@ -229,13 +259,41 @@ def jax_maximize_loglike( ) self.__neg_d_loglike(self.pvals) self.dashboard.update_content(status="[yellow]optimizing parameters...") + objective = self.__neg_loglike + gradient = self.__neg_d_loglike + objective_scale = 1 + optimizer_constraints = kwargs.get("constraints") + if isinstance( + optimizer_constraints, (dict, LinearConstraint, NonlinearConstraint) + ) or optimizer_constraints: + # Precondition constrained fits using mean logloss, as Numba + # does. Large total gradients can prevent SLSQP from reaching + # feasibility; leave unconstrained optimizer trajectories intact. + objective_scale = ( + self.total_weight() if hasattr(self, "total_weight") else 1 + ) + objective = lambda params: self.__neg_loglike(params) / objective_scale + gradient = lambda params: self.__neg_d_loglike(params) / objective_scale result = minimize( - self.__neg_loglike, + objective, np.asarray(self.pvals, dtype=np.float64), - jac=self.__neg_d_loglike, + jac=gradient if method.lower() != "cobyla" else None, method=method, **kwargs, ) + # Restore total units for likelihood derivatives and multipliers. + # Solver-specific inverse Hessian approximations remain on the + # normalized optimizer scale. + if objective_scale != 1: + if "fun" in result: + result["fun"] *= objective_scale + if "jac" in result and method.lower() != "trust-constr": + result["jac"] *= objective_scale + for key in ("grad", "lagrangian_grad", "multipliers"): + if key in result: + result[key] *= objective_scale + if "v" in result: + result["v"] = [values * objective_scale for values in result["v"]] try: result["n_cases"] = self.n_cases @@ -249,7 +307,9 @@ def jax_maximize_loglike( result["logloss"] = result["fun"] / self.total_weight() result["loglike"] = -result["fun"] del result["fun"] - if "jac" in result: + # trust-constr's jac describes the constraints; its grad retains + # SciPy's minimized-objective sign. Other jac results describe LL. + if "jac" in result and method.lower() != "trust-constr": result["jac"] = -result["jac"] self.dashboard.update_content( loglike=result["loglike"], @@ -260,16 +320,11 @@ def jax_maximize_loglike( self.dashboard.update_content( status="[yellow]computing standard errors..." ) - se, hess, ihess = self.jax_param_cov(result.x) - result["stderr"] = np.asarray(se) - hess = np.asarray(hess).copy() - hess[self.pholdfast.astype(bool), :] = 0 - hess[:, self.pholdfast.astype(bool)] = 0 - ihess = np.asarray(ihess).copy() - ihess[self.pholdfast.astype(bool), :] = 0 - ihess[:, self.pholdfast.astype(bool)] = 0 - self.add_parameter_array("hess", hess) - self.add_parameter_array("ihess", ihess) + self.calculate_parameter_covariance(result.x) + # The covariance calculation projects binding constraints into + # pstderr while retaining the unprojected inverse Hessian. + se = np.asarray(self.pstderr).copy() + result["stderr"] = se self.dashboard.update_content( params=self.__rich_table(result.x, se), ) diff --git a/tests/test_constraints.py b/tests/test_constraints.py new file mode 100644 index 00000000..3562266b --- /dev/null +++ b/tests/test_constraints.py @@ -0,0 +1,210 @@ +from __future__ import annotations + +import numpy as np +import pandas as pd +import pytest +from pytest import approx +from scipy.optimize import LinearConstraint, NonlinearConstraint + +import larch as lx +from larch.model.constraints import OrderingBound + + +def _choice_model(compute_engine, counts=(10, 30, 60), *, shared=False): + choices = np.repeat(np.arange(1, len(counts) + 1), counts) + frame = pd.DataFrame({"choice": choices}).rename_axis("caseid") + dataset = lx.Dataset.construct.from_idco(frame, alts=np.arange(1, len(counts) + 1)) + model = lx.Model(dataset, compute_engine=compute_engine) + model.choice_co_code = "choice" + for alt in range(1, len(counts)): + model.utility_co[alt] = lx.P("shared" if shared else f"asc_{alt}") + model.utility_co[len(counts)] = 0 + model.set_cap(5) + return model + + +def _estimate(model, **kwargs): + return model.maximize_loglike( + method="slsqp", stderr=True, quiet=True, options={"ftol": 1e-8}, **kwargs + ) + + +def test_ordering_constraint_estimation_and_covariance_parity(): + # The observed shares prefer ASC_2 > ASC_1; the constraint binds them together. + models = [_choice_model(engine) for engine in ("numba", "jax")] + explicit = _choice_model("numba", shared=True) + explicit_result = _estimate(explicit) + expected_value = np.log(40 / (2 * 60)) + expected_covariance = np.full((2, 2), 1 / (100 * 0.4 * 0.6)) + for model in models: + model.constraints = [OrderingBound("asc_2", "asc_1")] + result = _estimate(model) + assert result.success + assert result.loglike == approx(explicit_result.loglike, abs=2e-4) + np.testing.assert_allclose(model.pvals, expected_value, atol=2e-4) + covariance = model.parameters["covariance_matrix"].values + np.testing.assert_allclose(covariance, expected_covariance, rtol=2e-4) + np.testing.assert_allclose(model.pstderr, np.sqrt(covariance.diagonal())) + assert (model.parameters["constrained"].values != "").all() + if model.compute_engine == "jax": + np.testing.assert_allclose(result.stderr, model.pstderr) + np.testing.assert_allclose(result.stderr, np.sqrt(1 / 24), rtol=2e-4) + + # Evaluate both Hessians and projections at exactly the same optimum. + model.pvals = np.full(2, expected_value) + model.calculate_parameter_covariance() + + np.testing.assert_allclose( + models[0].parameters["covariance_matrix"], + models[1].parameters["covariance_matrix"], + rtol=2e-5, + ) + np.testing.assert_allclose( + expected_covariance, + np.full((2, 2), explicit.pstderr[0] ** 2), + rtol=2e-5, + ) + + +@pytest.mark.parametrize("compute_engine", ["numba", "jax"]) +def test_active_parameter_bound_and_holdfast_covariance(compute_engine): + model = _choice_model(compute_engine, counts=(10, 30, 20, 40)) + model.lock_value(asc_1=-2) + model.pmaximum = {"asc_2": -1} + result = _estimate(model) + assert result.success + assert model.get_value("asc_1") == -2 + assert model.get_value("asc_2") == approx(-1, abs=1e-6) + assert model.get_value("asc_3") == approx( + np.log((0.2 / 0.8) * (1 + np.exp(-2) + np.exp(-1))), abs=2e-4 + ) + covariance = model.parameters["covariance_matrix"].values + np.testing.assert_allclose(covariance, np.diag([0, 0, 1 / 16]), atol=1e-6) + np.testing.assert_allclose(model.pstderr, [0, 0, 0.25], atol=1e-5) + assert model.parameters["constrained"].sel(param_name="asc_1").item() == "fixed value" + assert model.parameters["constrained"].sel(param_name="asc_2").item() + if compute_engine == "jax": + np.testing.assert_allclose(result.stderr, model.pstderr) + np.testing.assert_allclose(result.stderr, [0, 0, 0.25], atol=1e-5) + + +@pytest.mark.parametrize( + "case_slice", + [slice(None), slice(5, 90, 2), slice(None, -1)], + ids=["all", "slice", "exclude-last"], +) +def test_numba_objective_gradients_match_observations_and_finite_differences(case_slice): + model = _choice_model("numba") + # Equal initial probabilities give gradients directly from observed counts. + choices = np.repeat([1, 2, 3], [10, 30, 60])[case_slice] + expected_gradient = np.bincount(choices, minlength=4)[1:3] - len(choices) / 3 + slice_kwargs = ( + {} + if case_slice == slice(None) + else { + "start_case": case_slice.start, + "stop_case": case_slice.stop, + "step_case": case_slice.step, + } + ) + np.testing.assert_allclose(model.neg_d_loglike(**slice_kwargs), -expected_gradient) + np.testing.assert_allclose(model.d_logloss(**slice_kwargs), -expected_gradient / 100) + + params = np.asarray([-0.2, 0.3]) + epsilon = 1e-6 + for objective, gradient in [ + (model.neg_loglike, model.neg_d_loglike), + (model.logloss, model.d_logloss), + ]: + finite_difference = [] + for displacement in np.eye(model.n_params) * epsilon: + finite_difference.append( + ( + objective(params + displacement, **slice_kwargs) + - objective(params - displacement, **slice_kwargs) + ) + / (2 * epsilon) + ) + np.testing.assert_allclose( + gradient(params, **slice_kwargs), finite_difference, rtol=1e-6, atol=1e-7 + ) + + +@pytest.mark.parametrize("constraint_type", ["dict", "linear", "nonlinear", "sequence"]) +def test_jax_preserves_caller_constraints_alongside_model_constraints(constraint_type): + model = _choice_model("jax") + model.constraints = [OrderingBound("asc_2", "asc_1")] + a = model.get_param_loc("asc_1") + direction = np.eye(model.n_params)[a] + if constraint_type == "dict": + constraint = { + "type": "ineq", + "fun": lambda params: -1.5 - params[a], + "jac": lambda params: -direction, + } + elif constraint_type == "nonlinear": + constraint = NonlinearConstraint( + lambda params: params[a], -np.inf, -1.5, jac=lambda params: direction + ) + else: + constraint = LinearConstraint(direction, -np.inf, -1.5) + if constraint_type == "sequence": + constraint = [constraint] + result = model.maximize_loglike( + method="slsqp", quiet=True, constraints=constraint, options={"ftol": 1e-8} + ) + assert result.success + # Dropping either constraint gives a different, less restrictive optimum. + np.testing.assert_allclose(model.pvals, [-1.5, -1.5], atol=2e-4) + + +def test_jax_rejects_optimizer_that_cannot_apply_model_constraints(): + model = _choice_model("jax") + model.constraints = [OrderingBound("asc_2", "asc_1")] + with pytest.raises(ValueError, match="constraint"): + model.maximize_loglike(method="l-bfgs-b", quiet=True) + + +def test_jax_unconstrained_fit_with_readonly_double_precision_gradient(): + jax = pytest.importorskip("jax") + with jax.experimental.enable_x64(): + model = _choice_model("jax") + result = model.maximize_loglike( + method="slsqp", quiet=True, options={"ftol": 1e-10} + ) + assert result.success + np.testing.assert_allclose( + model.pvals, np.log(np.asarray([10, 30]) / 60), atol=2e-5 + ) + expected_loglike = np.asarray([10, 30, 60]) @ np.log([0.1, 0.3, 0.6]) + assert result.loglike == approx(expected_loglike, abs=1e-8) + assert result.jac.dtype == np.float64 + np.testing.assert_allclose(result.jac, model.d_loglike(), atol=1e-8) + + +@pytest.mark.parametrize("method", ["trust-constr", "cobyla"]) +def test_jax_constrained_solver_applies_parameter_bounds_and_preserves_metadata(method): + model = _choice_model("jax") + model.constraints = [OrderingBound("asc_2", "asc_1")] + model.pmaximum = {"asc_1": -1.5} + if method == "trust-constr": + options = { + "gtol": 1e-8, + "barrier_tol": 1e-9, + "initial_barrier_parameter": 1e-3, + "maxiter": 300, + } + else: + options = {"tol": 1e-5, "catol": 1e-6, "maxiter": 300} + result = model.maximize_loglike(method=method, quiet=True, options=options) + assert result.success + assert model.get_value("asc_1") <= -1.5 + 1e-6 + assert model.get_value("asc_2") <= model.get_value("asc_1") + 1e-6 + np.testing.assert_allclose(model.pvals, [-1.5, -1.5], atol=2e-3) + assert np.isfinite(result.loglike) + if method == "trust-constr": + assert isinstance(result.jac, list) + assert all(np.isfinite(jacobian).all() for jacobian in result.jac) + assert all(np.isfinite(multiplier).all() for multiplier in result.v) + assert np.isfinite(result.lagrangian_grad).all() + np.testing.assert_allclose(result.grad, -model.d_loglike(), atol=2e-5) diff --git a/tests/test_mtc.py b/tests/test_mtc.py index bc10ee12..e2c091c1 100644 --- a/tests/test_mtc.py +++ b/tests/test_mtc.py @@ -315,7 +315,7 @@ def test_mtc_22(compute_engine): ) -@pytest.mark.parametrize("compute_engine", ["numba"]) +@pytest.mark.parametrize("compute_engine", ["numba", "jax"]) def test_mtc_30(compute_engine): m = lx.example(1) m.title = "MTC Example 30 (Constrained Simple MNL)" @@ -326,7 +326,7 @@ def test_mtc_30(compute_engine): result_explicit = m_explicit.maximize_loglike( stderr=True, options={"maxiter": 1000, "ftol": 1e-10} ) - revealed_x = dict(zip(m.pnames, result_explicit.x)) + revealed_x = dict(zip(m_explicit.pnames, result_explicit.x)) print(revealed_x) assert result_explicit.logloss == approx(0.7533452255366115) assert result_explicit.loglike == approx(-3788.5731392236194) @@ -342,7 +342,7 @@ def test_mtc_30(compute_engine): "hhinc#4": -0.006153651399668838, "hhinc#5": -0.014112829960368308, "hhinc#6": -0.009343128298864946, - "totcost": -0.0017390713018709733, + "tottime": -0.0017390713018709733, } revealed_x = {k: v for k, v in revealed_x.items() if k in expected_x} assert revealed_x == approx(expected_x, rel=0.1) @@ -366,6 +366,13 @@ def test_mtc_30(compute_engine): assert result.logloss == approx(0.753345269140234) assert result.message == "Optimization terminated successfully" assert m.total_weight() == 5029.0 + assert m.get_value("totcost") / m.get_value("tottime") == approx(3.0, abs=1e-5) + covariance = m.parameters["covariance_matrix"].values + np.testing.assert_allclose(m.pstderr, np.sqrt(covariance.diagonal())) + constraint_gradient = m.constraints[0].jac(m.pvals) + assert constraint_gradient @ covariance @ constraint_gradient == approx(0, abs=1e-7) + if compute_engine == "jax": + np.testing.assert_allclose(result.stderr, m.pstderr) m.parameter_summary() _summary = m.parameter_summary() # assert_same_text( diff --git a/uv.lock b/uv.lock index 8ca7ebe3..6cbc5abe 100644 --- a/uv.lock +++ b/uv.lock @@ -23,18 +23,18 @@ wheels = [ [[package]] name = "altair" -version = "5.5.0" +version = "6.3.0" source = { registry = "https://pypi.org/simple" } dependencies = [ { name = "jinja2" }, { name = "jsonschema" }, { name = "narwhals" }, { name = "packaging" }, - { name = "typing-extensions", marker = "python_full_version < '3.14'" }, + { name = "typing-extensions", marker = "python_full_version < '3.15'" }, ] -sdist = { url = "https://files.pythonhosted.org/packages/16/b1/f2969c7bdb8ad8bbdda031687defdce2c19afba2aa2c8e1d2a17f78376d8/altair-5.5.0.tar.gz", hash = "sha256:d960ebe6178c56de3855a68c47b516be38640b73fb3b5111c2a9ca90546dd73d", size = 705305, upload-time = "2024-11-23T23:39:58.542Z" } +sdist = { url = "https://files.pythonhosted.org/packages/e8/de/9731304fae332b5783fdc3ed18531dfaf4a3cc62a66aaaa74c047355b70f/altair-6.3.0.tar.gz", hash = "sha256:fa632121aca6d0fcb198a3d8a9f7d937fa5b7518ec947951cfffb44e736d97c8", size = 766362, upload-time = "2026-09-15T06:38:03.623Z" } wheels = [ - { url = "https://files.pythonhosted.org/packages/aa/f3/0b6ced594e51cc95d8c1fc1640d3623770d01e4969d29c0bd09945fafefa/altair-5.5.0-py3-none-any.whl", hash = "sha256:91a310b926508d560fe0148d02a194f38b824122641ef528113d029fcd129f8c", size = 731200, upload-time = "2024-11-23T23:39:56.4Z" }, + { url = "https://files.pythonhosted.org/packages/ca/b9/10a8bb13a0462e0bc4e02c0b7b8237dc24ab590f5bb4be94bec5e8f1d532/altair-6.3.0-py3-none-any.whl", hash = "sha256:7defb6ca730676dfc99a299768e2769f51585fcb3dc960ea71aacc368929d65e", size = 797192, upload-time = "2026-09-15T06:38:01.791Z" }, ] [[package]] From 6844c0bedc57e56bcafec0d1a5d2d68446a9e4a2 Mon Sep 17 00:00:00 2001 From: Jan Zill Date: Thu, 15 Oct 2026 10:14:11 +1000 Subject: [PATCH 3/4] changes to for full test suite, example precision, graphviz dev install, deps update --- .../exampville/204_exville_dest_only.ipynb | 60 +-- docs/examples/mtc/007_ovtt_by_distance.ipynb | 28 +- docs/examples/mtc/009_ttr_4.ipynb | 2 +- docs/examples/mtc/017A_market_seg.ipynb | 54 +-- docs/examples/mtc/017B_alt_segmentation.ipynb | 54 +-- .../mtc/017C_segmentation_males.ipynb | 54 +-- .../mtc/017D_segmentation_female.ipynb | 54 +-- docs/examples/mtc/017_mnl.ipynb | 54 +-- docs/examples/mtc/030_mnl_constrain.ipynb | 31 +- .../151-swissmetro-panel-latent-class.ipynb | 34 +- .../xlogit-artificial/xlogit-test.ipynb | 416 +++++++++--------- envs/install-graphviz.sh | 71 +++ envs/uv-dev.sh | 5 + exercises/mixed-logit.ipynb | 5 +- pyproject.toml | 3 +- uv.lock | 16 +- 16 files changed, 501 insertions(+), 440 deletions(-) create mode 100755 envs/install-graphviz.sh diff --git a/docs/examples/exampville/204_exville_dest_only.ipynb b/docs/examples/exampville/204_exville_dest_only.ipynb index 0d481ffb..2caa5e33 100644 --- a/docs/examples/exampville/204_exville_dest_only.ipynb +++ b/docs/examples/exampville/204_exville_dest_only.ipynb @@ -980,7 +980,7 @@ " ).sort_index(),\n", " rtol=1e-2,\n", ")\n", - "assert m.pstderr == approx(\n", + "assert mg.pstderr == approx(\n", " np.array([0.145749, 0.052355, 0.0, 0.0, 0.009012, 0.003812]),\n", " rel=1e-3,\n", ")" @@ -1012,61 +1012,9 @@ "outputs": [], "source": [ "# TEST\n", - "assert mg.bhhh() == approx(\n", - " np.array(\n", - " [\n", - " [\n", - " 4.92276067e01,\n", - " 0.00000000e00,\n", - " 0.00000000e00,\n", - " 0.00000000e00,\n", - " 1.82962749e02,\n", - " 2.35657294e02,\n", - " ],\n", - " [\n", - " 0.00000000e00,\n", - " 3.66140769e02,\n", - " 0.00000000e00,\n", - " 0.00000000e00,\n", - " -2.02327809e02,\n", - " 5.64802080e02,\n", - " ],\n", - " [\n", - " 0.00000000e00,\n", - " 0.00000000e00,\n", - " 0.00000000e00,\n", - " 0.00000000e00,\n", - " 0.00000000e00,\n", - " 0.00000000e00,\n", - " ],\n", - " [\n", - " 0.00000000e00,\n", - " 0.00000000e00,\n", - " 0.00000000e00,\n", - " 0.00000000e00,\n", - " 0.00000000e00,\n", - " 0.00000000e00,\n", - " ],\n", - " [\n", - " 1.82962749e02,\n", - " -2.02327809e02,\n", - " 0.00000000e00,\n", - " 0.00000000e00,\n", - " 1.45027493e04,\n", - " 1.20949516e04,\n", - " ],\n", - " [\n", - " 2.35657294e02,\n", - " 5.64802080e02,\n", - " 0.00000000e00,\n", - " 0.00000000e00,\n", - " 1.20949516e04,\n", - " 8.59976140e04,\n", - " ],\n", - " ]\n", - " ),\n", - " rel=1e-2,\n", - ")" + "# Aggregation preserves alternative-level scores. Evaluate both models at\n", + "# the same coefficients so optimizer stopping tolerances do not affect parity.\n", + "assert mg.bhhh() == approx(m.bhhh(mg.pvals), rel=1e-8, abs=1e-8)" ] } ], diff --git a/docs/examples/mtc/007_ovtt_by_distance.ipynb b/docs/examples/mtc/007_ovtt_by_distance.ipynb index f3e95c92..99739350 100644 --- a/docs/examples/mtc/007_ovtt_by_distance.ipynb +++ b/docs/examples/mtc/007_ovtt_by_distance.ipynb @@ -214,7 +214,7 @@ "metadata": {}, "outputs": [], "source": [ - "result = m.maximize_loglike(stderr=True)\n", + "result = m.maximize_loglike(stderr=True, options={\"maxiter\": 1000, \"ftol\": 1e-13})\n", "m.calculate_parameter_covariance()\n", "m.loglike()" ] @@ -312,19 +312,19 @@ "from pytest import approx\n", "\n", "expected_x = {\n", - " \"ASC_BIKE\": -2.675340279013382,\n", - " \"ASC_SR2\": -2.1871708718901455,\n", - " \"ASC_SR3P\": -3.5170483581773535,\n", - " \"ASC_TRAN\": -0.039611848334672385,\n", - " \"ASC_WALK\": -1.0206078711851112,\n", - " \"hhinc#2,3\": -0.001383608162986253,\n", - " \"hhinc#4\": -0.007257729971526785,\n", - " \"hhinc#5\": -0.01196363695212793,\n", - " \"hhinc#6\": -0.008182417861122782,\n", - " \"motorized_ovtbydist\": -0.18145744778558676,\n", - " \"motorized_time\": -0.04156509908994426,\n", - " \"nonmotorized_time\": -0.04755705411055601,\n", - " \"totcost\": -0.004114472584806616,\n", + " \"ASC_BIKE\": -2.6867134884041124,\n", + " \"ASC_SR2\": -2.188408263476616,\n", + " \"ASC_SR3P\": -3.5180530612046663,\n", + " \"ASC_TRAN\": -0.042203403709053865,\n", + " \"ASC_WALK\": -1.0228699972401316,\n", + " \"hhinc#2,3\": -0.0013767552257365773,\n", + " \"hhinc#4\": -0.007247420724207541,\n", + " \"hhinc#5\": -0.011858861031538045,\n", + " \"hhinc#6\": -0.008237733460896757,\n", + " \"motorized_ovtbydist\": -0.18121891400931894,\n", + " \"motorized_time\": -0.04154068238646636,\n", + " \"nonmotorized_time\": -0.04746566631597504,\n", + " \"totcost\": -0.0041167524654853885,\n", "}\n", "for k in expected_x:\n", " assert revealed_x[k] == approx(expected_x[k], 2e-2), (\n", diff --git a/docs/examples/mtc/009_ttr_4.ipynb b/docs/examples/mtc/009_ttr_4.ipynb index 4874a69d..b20149d7 100644 --- a/docs/examples/mtc/009_ttr_4.ipynb +++ b/docs/examples/mtc/009_ttr_4.ipynb @@ -211,7 +211,7 @@ "metadata": {}, "outputs": [], "source": [ - "result = m.maximize_loglike(stderr=True)\n", + "result = m.maximize_loglike(stderr=True, options={\"maxiter\": 1000, \"ftol\": 1e-13})\n", "m.calculate_parameter_covariance()\n", "m.loglike()" ] diff --git a/docs/examples/mtc/017A_market_seg.ipynb b/docs/examples/mtc/017A_market_seg.ipynb index 02bff184..5828c403 100644 --- a/docs/examples/mtc/017A_market_seg.ipynb +++ b/docs/examples/mtc/017A_market_seg.ipynb @@ -276,7 +276,7 @@ "metadata": {}, "outputs": [], "source": [ - "result = m.maximize_loglike(stderr=True, options={\"maxiter\": 1000, \"ftol\": 1e-10})\n", + "result = m.maximize_loglike(stderr=True, options={\"maxiter\": 1000, \"ftol\": 1e-13})\n", "m.calculate_parameter_covariance()\n", "m.loglike()" ] @@ -380,32 +380,32 @@ "from pytest import approx\n", "\n", "expected_x = {\n", - " \"ASC_Bike\": 0.9742143708899291,\n", - " \"ASC_SR2\": 0.5953670936985695,\n", - " \"ASC_SR3+\": -0.7824827134037493,\n", - " \"ASC_Transit\": 2.2585074587816134,\n", - " \"ASC_Walk\": 2.9039591287055986,\n", - " \"costbyincome\": -0.02264018916095553,\n", - " \"hhinc#4\": -0.006444094209484317,\n", - " \"hhinc#5\": -0.011725009048022181,\n", - " \"hhinc#6\": -0.01198956540981421,\n", - " \"motorized_ovtbydist\": -0.11308926104452616,\n", - " \"motorized_time\": -0.021067655041764506,\n", - " \"nonmotorized_time\": -0.04394234551517281,\n", - " \"vehbywrk_Bike\": -2.644433522672152,\n", - " \"vehbywrk_SR\": -3.0157086560458417,\n", - " \"vehbywrk_Transit\": -3.9631693279363467,\n", - " \"vehbywrk_Walk\": -3.3398299003269862,\n", - " \"wkcbd_Bike\": 0.371887416799123,\n", - " \"wkcbd_SR2\": 0.37071617423118847,\n", - " \"wkcbd_SR3+\": 0.22893265840284804,\n", - " \"wkcbd_Transit\": 1.1056371095671524,\n", - " \"wkcbd_Walk\": 0.030612758978009455,\n", - " \"wkempden_Bike\": 0.001542900697956932,\n", - " \"wkempden_SR2\": 0.00204432338331191,\n", - " \"wkempden_SR3+\": 0.0035300285386588638,\n", - " \"wkempden_Transit\": 0.00316015805069698,\n", - " \"wkempden_Walk\": 0.0037858816800672803,\n", + " \"ASC_Bike\": 0.9768656487673031,\n", + " \"ASC_SR2\": 0.5928602674741049,\n", + " \"ASC_SR3+\": -0.7852130283746404,\n", + " \"ASC_Transit\": 2.2579601121574915,\n", + " \"ASC_Walk\": 2.9068933591665163,\n", + " \"costbyincome\": -0.022668384302186657,\n", + " \"hhinc#4\": -0.006445844794354888,\n", + " \"hhinc#5\": -0.011662175656345601,\n", + " \"hhinc#6\": -0.01200189697215675,\n", + " \"motorized_ovtbydist\": -0.11312496962190924,\n", + " \"motorized_time\": -0.021071030481812515,\n", + " \"nonmotorized_time\": -0.04400616719163487,\n", + " \"vehbywrk_Bike\": -2.6637415199527004,\n", + " \"vehbywrk_SR\": -3.014536760048916,\n", + " \"vehbywrk_Transit\": -3.9632962228600492,\n", + " \"vehbywrk_Walk\": -3.341935874346473,\n", + " \"wkcbd_Bike\": 0.39513498215985876,\n", + " \"wkcbd_SR2\": 0.3724423420159654,\n", + " \"wkcbd_SR3+\": 0.22943430769880338,\n", + " \"wkcbd_Transit\": 1.1064347514617832,\n", + " \"wkcbd_Walk\": 0.029732296011644076,\n", + " \"wkempden_Bike\": 0.0015075846525952844,\n", + " \"wkempden_SR2\": 0.0020444554589942516,\n", + " \"wkempden_SR3+\": 0.0035323129337276214,\n", + " \"wkempden_Transit\": 0.0031600744478203252,\n", + " \"wkempden_Walk\": 0.0037891491261088186,\n", "}\n", "for k in expected_x:\n", " assert revealed_x[k] == approx(expected_x[k], 2e-2), (\n", diff --git a/docs/examples/mtc/017B_alt_segmentation.ipynb b/docs/examples/mtc/017B_alt_segmentation.ipynb index 38ef3d48..4c73344d 100644 --- a/docs/examples/mtc/017B_alt_segmentation.ipynb +++ b/docs/examples/mtc/017B_alt_segmentation.ipynb @@ -271,7 +271,7 @@ "metadata": {}, "outputs": [], "source": [ - "result = m.maximize_loglike(stderr=True, options={\"maxiter\": 1000, \"ftol\": 1e-10})\n", + "result = m.maximize_loglike(stderr=True, options={\"maxiter\": 1000, \"ftol\": 1e-13})\n", "m.calculate_parameter_covariance()\n", "m.loglike()" ] @@ -385,32 +385,32 @@ "from pytest import approx\n", "\n", "expected_x = {\n", - " \"ASC_Bike\": -3.131353684453019,\n", - " \"ASC_SR2\": -1.982918109708732,\n", - " \"ASC_SR3+\": -3.7260108180838087,\n", - " \"ASC_Transit\": -2.156692021346743,\n", - " \"ASC_Walk\": -1.5835989189276731,\n", - " \"costbyincome\": -0.0978607170004987,\n", - " \"hhinc#4\": 0.0003613865368074286,\n", - " \"hhinc#5\": -0.002650844116790726,\n", - " \"hhinc#6\": 0.0009101590517897486,\n", - " \"motorized_ovtbydist\": -0.1937603871636971,\n", - " \"motorized_time\": -0.018754569843429904,\n", - " \"nonmotorized_time\": -0.045210350568177106,\n", - " \"vehbywrk_Bike\": -0.21719450776227095,\n", - " \"vehbywrk_SR\": -0.23823848663321495,\n", - " \"vehbywrk_Transit\": -0.23619743325813528,\n", - " \"vehbywrk_Walk\": -0.07998140457786423,\n", - " \"wkcbd_Bike\": 0.5651962301019509,\n", - " \"wkcbd_SR2\": 0.16357641468531287,\n", - " \"wkcbd_SR3+\": 1.3328985605250347,\n", - " \"wkcbd_Transit\": 1.2613977817336346,\n", - " \"wkcbd_Walk\": 0.21594406473797045,\n", - " \"wkempden_Bike\": 0.0014358656965858384,\n", - " \"wkempden_SR2\": 0.0010739771398805848,\n", - " \"wkempden_SR3+\": 0.0013450278303126933,\n", - " \"wkempden_Transit\": 0.0028932086005130325,\n", - " \"wkempden_Walk\": -0.0010607308832536778,\n", + " \"ASC_Bike\": -3.217907973643871,\n", + " \"ASC_SR2\": -1.9786338068489517,\n", + " \"ASC_SR3+\": -3.7197256505577503,\n", + " \"ASC_Transit\": -2.1627440326026615,\n", + " \"ASC_Walk\": -1.5346348487757604,\n", + " \"costbyincome\": -0.0980868832663979,\n", + " \"hhinc#4\": 0.00036483417852488175,\n", + " \"hhinc#5\": -0.0019243608307967538,\n", + " \"hhinc#6\": 0.0006700596973401033,\n", + " \"motorized_ovtbydist\": -0.19436932701921655,\n", + " \"motorized_time\": -0.01870105976828476,\n", + " \"nonmotorized_time\": -0.0450318341950748,\n", + " \"vehbywrk_Bike\": -0.19051136456475654,\n", + " \"vehbywrk_SR\": -0.2413127730632226,\n", + " \"vehbywrk_Transit\": -0.2399220019833527,\n", + " \"vehbywrk_Walk\": -0.09750246029007012,\n", + " \"wkcbd_Bike\": 0.48668277791486686,\n", + " \"wkcbd_SR2\": 0.1627376132756929,\n", + " \"wkcbd_SR3+\": 1.3302150079003858,\n", + " \"wkcbd_Transit\": 1.2785207733777604,\n", + " \"wkcbd_Walk\": 0.11137430958187539,\n", + " \"wkempden_Bike\": 0.0016104476725365279,\n", + " \"wkempden_SR2\": 0.0010724856518716283,\n", + " \"wkempden_SR3+\": 0.0013414366658924435,\n", + " \"wkempden_Transit\": 0.0028790997880903833,\n", + " \"wkempden_Walk\": -0.0008915352403697739,\n", "}\n", "for k in expected_x:\n", " assert revealed_x[k] == approx(expected_x[k], 2e-2), (\n", diff --git a/docs/examples/mtc/017C_segmentation_males.ipynb b/docs/examples/mtc/017C_segmentation_males.ipynb index 015dd8b7..6b87c430 100644 --- a/docs/examples/mtc/017C_segmentation_males.ipynb +++ b/docs/examples/mtc/017C_segmentation_males.ipynb @@ -279,7 +279,7 @@ "metadata": {}, "outputs": [], "source": [ - "result = m.maximize_loglike(stderr=True, options={\"maxiter\": 1000, \"ftol\": 1e-10})\n", + "result = m.maximize_loglike(stderr=True, options={\"maxiter\": 1000, \"ftol\": 1e-13})\n", "m.calculate_parameter_covariance()\n", "m.loglike()" ] @@ -383,32 +383,32 @@ "from pytest import approx\n", "\n", "expected_x = {\n", - " \"ASC_Bike\": -1.928007825476385,\n", - " \"ASC_SR2\": -1.912455790177904,\n", - " \"ASC_SR3+\": -3.5514203840398006,\n", - " \"ASC_Transit\": -0.8658094170164065,\n", - " \"ASC_Walk\": -1.2203008866494844,\n", - " \"costbyincome\": -0.06390233682221723,\n", - " \"hhinc#4\": -0.0020804355665526397,\n", - " \"hhinc#5\": -0.0013784543619515673,\n", - " \"hhinc#6\": -0.00501951838450115,\n", - " \"motorized_ovtbydist\": -0.18639734021256957,\n", - " \"motorized_time\": -0.01951022691589421,\n", - " \"nonmotorized_time\": -0.024446076816243063,\n", - " \"vehbywrk_Bike\": -0.9930978890574966,\n", - " \"vehbywrk_SR\": -0.20981196496890442,\n", - " \"vehbywrk_Transit\": -0.8322463141471179,\n", - " \"vehbywrk_Walk\": -0.6105805888289391,\n", - " \"wkcbd_Bike\": 0.3204533731833982,\n", - " \"wkcbd_SR2\": 0.027661592161988033,\n", - " \"wkcbd_SR3+\": 1.423466120894847,\n", - " \"wkcbd_Transit\": 1.196921606447681,\n", - " \"wkcbd_Walk\": 0.22281387280820592,\n", - " \"wkempden_Bike\": 0.0004958705725495997,\n", - " \"wkempden_SR2\": 0.0009305263934769419,\n", - " \"wkempden_SR3+\": 0.0005787415453590467,\n", - " \"wkempden_Transit\": 0.002487830750207477,\n", - " \"wkempden_Walk\": 0.0012923574145590863,\n", + " \"ASC_Bike\": -1.9276995165663708,\n", + " \"ASC_SR2\": -1.912107049090948,\n", + " \"ASC_SR3+\": -3.5512122793759646,\n", + " \"ASC_Transit\": -0.8651607230209142,\n", + " \"ASC_Walk\": -1.2208813189769396,\n", + " \"costbyincome\": -0.06394951247282908,\n", + " \"hhinc#4\": -0.002078825220542985,\n", + " \"hhinc#5\": -0.0013804057484782476,\n", + " \"hhinc#6\": -0.00501075973719609,\n", + " \"motorized_ovtbydist\": -0.18645095338370044,\n", + " \"motorized_time\": -0.01950627756034513,\n", + " \"nonmotorized_time\": -0.02444934723256464,\n", + " \"vehbywrk_Bike\": -0.9919697070926079,\n", + " \"vehbywrk_SR\": -0.21042562064513107,\n", + " \"vehbywrk_Transit\": -0.8328227557451945,\n", + " \"vehbywrk_Walk\": -0.6111717464254133,\n", + " \"wkcbd_Bike\": 0.3109544126074143,\n", + " \"wkcbd_SR2\": 0.027833469948828946,\n", + " \"wkcbd_SR3+\": 1.4236860791782913,\n", + " \"wkcbd_Transit\": 1.1964829661030874,\n", + " \"wkcbd_Walk\": 0.22417339526190874,\n", + " \"wkempden_Bike\": 0.0005115946523967164,\n", + " \"wkempden_SR2\": 0.0009307007040956167,\n", + " \"wkempden_SR3+\": 0.0005787490539377188,\n", + " \"wkempden_Transit\": 0.0024879489537999217,\n", + " \"wkempden_Walk\": 0.0012900694817472645,\n", "}\n", "for k in expected_x:\n", " assert revealed_x[k] == approx(expected_x[k], 2e-2), (\n", diff --git a/docs/examples/mtc/017D_segmentation_female.ipynb b/docs/examples/mtc/017D_segmentation_female.ipynb index 92b9821d..a4e5b394 100644 --- a/docs/examples/mtc/017D_segmentation_female.ipynb +++ b/docs/examples/mtc/017D_segmentation_female.ipynb @@ -273,7 +273,7 @@ "metadata": {}, "outputs": [], "source": [ - "result = m.maximize_loglike(stderr=True, options={\"maxiter\": 1000, \"ftol\": 1e-10})\n", + "result = m.maximize_loglike(stderr=True, options={\"maxiter\": 1000, \"ftol\": 1e-13})\n", "m.calculate_parameter_covariance()\n", "m.loglike()" ] @@ -377,32 +377,32 @@ "from pytest import approx\n", "\n", "expected_x = {\n", - " \"ASC_Bike\": -1.0412780932548384,\n", - " \"ASC_SR2\": -1.5539810652068256,\n", - " \"ASC_SR3+\": -3.1854305680124058,\n", - " \"ASC_Transit\": -0.46976829166153894,\n", - " \"ASC_Walk\": 1.3688704069415694,\n", - " \"costbyincome\": -0.043530473293242354,\n", - " \"hhinc#4\": -0.008929802961855733,\n", - " \"hhinc#5\": -0.03840955269802502,\n", - " \"hhinc#6\": -0.005082499964774252,\n", - " \"motorized_ovtbydist\": -0.08879718827392451,\n", - " \"motorized_time\": -0.01913530894108756,\n", - " \"nonmotorized_time\": -0.0712577146848601,\n", - " \"vehbywrk_Bike\": -0.10343275503303231,\n", - " \"vehbywrk_SR\": -0.6135515751452322,\n", - " \"vehbywrk_Transit\": -1.1794317963027092,\n", - " \"vehbywrk_Walk\": -0.917891133747879,\n", - " \"wkcbd_Bike\": 1.0534091265461347,\n", - " \"wkcbd_SR2\": 0.45194163205040755,\n", - " \"wkcbd_SR3+\": 0.3685888989631644,\n", - " \"wkcbd_Transit\": 1.3811852123386674,\n", - " \"wkcbd_Walk\": -0.008517015595822975,\n", - " \"wkempden_Bike\": 0.004039748186460425,\n", - " \"wkempden_SR2\": 0.0029908432533657533,\n", - " \"wkempden_SR3+\": 0.005134839725445598,\n", - " \"wkempden_Transit\": 0.004565945257271104,\n", - " \"wkempden_Walk\": 0.005465423507422594,\n", + " \"ASC_Bike\": -1.152572636408149,\n", + " \"ASC_SR2\": -1.5644650318764874,\n", + " \"ASC_SR3+\": -3.1993564525044924,\n", + " \"ASC_Transit\": -0.47693691889916284,\n", + " \"ASC_Walk\": 1.3050491979568322,\n", + " \"costbyincome\": -0.04367275073345312,\n", + " \"hhinc#4\": -0.008889400676650817,\n", + " \"hhinc#5\": -0.03778477566573914,\n", + " \"hhinc#6\": -0.0049104333300172285,\n", + " \"motorized_ovtbydist\": -0.0899466124426599,\n", + " \"motorized_time\": -0.01908875942766032,\n", + " \"nonmotorized_time\": -0.07031849982973849,\n", + " \"vehbywrk_Bike\": -0.056096943536220335,\n", + " \"vehbywrk_SR\": -0.6066811735012272,\n", + " \"vehbywrk_Transit\": -1.1725599447644148,\n", + " \"vehbywrk_Walk\": -0.9040132688414684,\n", + " \"wkcbd_Bike\": 1.0389677106158575,\n", + " \"wkcbd_SR2\": 0.45438092517398476,\n", + " \"wkcbd_SR3+\": 0.3768492735090911,\n", + " \"wkcbd_Transit\": 1.380515995502304,\n", + " \"wkcbd_Walk\": -0.008059709519232018,\n", + " \"wkempden_Bike\": 0.004115728705172831,\n", + " \"wkempden_SR2\": 0.0029888392082965624,\n", + " \"wkempden_SR3+\": 0.005128745158280318,\n", + " \"wkempden_Transit\": 0.004560345000692658,\n", + " \"wkempden_Walk\": 0.005459522347934755,\n", "}\n", "for k in expected_x:\n", " assert revealed_x[k] == approx(expected_x[k], 2e-2), (\n", diff --git a/docs/examples/mtc/017_mnl.ipynb b/docs/examples/mtc/017_mnl.ipynb index 5ffa27c1..394d472b 100644 --- a/docs/examples/mtc/017_mnl.ipynb +++ b/docs/examples/mtc/017_mnl.ipynb @@ -228,7 +228,7 @@ "metadata": {}, "outputs": [], "source": [ - "result = m.maximize_loglike(stderr=True, options={\"maxiter\": 1000, \"ftol\": 1e-10})" + "result = m.maximize_loglike(stderr=True, options={\"maxiter\": 1000, \"ftol\": 1e-13})" ] }, { @@ -274,32 +274,32 @@ "# TEST\n", "revealed_x = dict(zip(m.pnames, r.x))\n", "expected_x = {\n", - " \"ASC_Bike\": -1.6262943624447215,\n", - " \"ASC_SR2\": -1.8079290469266305,\n", - " \"ASC_SR3+\": -3.4332103811742303,\n", - " \"ASC_Transit\": -0.6885545098242597,\n", - " \"ASC_Walk\": 0.0726870281895153,\n", - " \"costbyincome\": -0.05237387934320275,\n", - " \"hhinc#4\": -0.005305496592916417,\n", - " \"hhinc#5\": -0.008655283203651252,\n", - " \"hhinc#6\": -0.006001173483271529,\n", - " \"motorized_ovtbydist\": -0.13278580524985106,\n", - " \"motorized_time\": -0.02016680241721925,\n", - " \"nonmotorized_time\": -0.045501011178961354,\n", - " \"vehbywrk_Bike\": -0.7029295169096494,\n", - " \"vehbywrk_SR\": -0.3164671378998241,\n", - " \"vehbywrk_Transit\": -0.9453446457215215,\n", - " \"vehbywrk_Walk\": -0.7216758952894061,\n", - " \"wkcbd_Bike\": 0.49873916547630665,\n", - " \"wkcbd_SR2\": 0.2592843053485899,\n", - " \"wkcbd_SR3+\": 1.0671968496505624,\n", - " \"wkcbd_Transit\": 1.3098935436679964,\n", - " \"wkcbd_Walk\": 0.09596819068963038,\n", - " \"wkempden_Bike\": 0.0019099447823146232,\n", - " \"wkempden_SR2\": 0.0015784089844443042,\n", - " \"wkempden_SR3+\": 0.002259029274882882,\n", - " \"wkempden_Transit\": 0.0031323024172347728,\n", - " \"wkempden_Walk\": 0.002898970912944004,\n", + " \"ASC_Bike\": -1.6288748146286787,\n", + " \"ASC_SR2\": -1.8078135270324351,\n", + " \"ASC_SR3+\": -3.433736103234936,\n", + " \"ASC_Transit\": -0.6848112490249476,\n", + " \"ASC_Walk\": 0.06818674347896501,\n", + " \"costbyincome\": -0.05241892785207883,\n", + " \"hhinc#4\": -0.0053236072124385365,\n", + " \"hhinc#5\": -0.008643037163447177,\n", + " \"hhinc#6\": -0.005997547187527915,\n", + " \"motorized_ovtbydist\": -0.13286770768294562,\n", + " \"motorized_time\": -0.020187078656716238,\n", + " \"nonmotorized_time\": -0.045445621458847285,\n", + " \"vehbywrk_Bike\": -0.7021263966019797,\n", + " \"vehbywrk_SR\": -0.31663641651516017,\n", + " \"vehbywrk_Transit\": -0.9462474834449455,\n", + " \"vehbywrk_Walk\": -0.7218103184320303,\n", + " \"wkcbd_Bike\": 0.4892847634281896,\n", + " \"wkcbd_SR2\": 0.25982711048601564,\n", + " \"wkcbd_SR3+\": 1.0692635814328264,\n", + " \"wkcbd_Transit\": 1.3088065158093625,\n", + " \"wkcbd_Walk\": 0.10174694657048731,\n", + " \"wkempden_Bike\": 0.0019280381625450963,\n", + " \"wkempden_SR2\": 0.0015776443302834371,\n", + " \"wkempden_SR3+\": 0.0022568427708279386,\n", + " \"wkempden_Transit\": 0.0031324416314067894,\n", + " \"wkempden_Walk\": 0.0028903248287849214,\n", "}\n", "for k in expected_x:\n", " assert revealed_x[k] == approx(expected_x[k], 2e-2), (\n", diff --git a/docs/examples/mtc/030_mnl_constrain.ipynb b/docs/examples/mtc/030_mnl_constrain.ipynb index c81d1cd6..12b08216 100644 --- a/docs/examples/mtc/030_mnl_constrain.ipynb +++ b/docs/examples/mtc/030_mnl_constrain.ipynb @@ -123,7 +123,7 @@ "metadata": {}, "outputs": [], "source": [ - "result_explicit = m_explicit.maximize_loglike(stderr=True)" + "result_explicit = m_explicit.maximize_loglike(stderr=True, options={\"maxiter\": 1000, \"ftol\": 1e-13})" ] }, { @@ -140,17 +140,17 @@ "# TEST\n", "assert dict(result_explicit.x) == approx(\n", " {\n", - " \"ASC_BIKE\": -3.160341033282137,\n", - " \"ASC_SR2\": -2.455346066177878,\n", - " \"ASC_SR3P\": -4.07978282935071,\n", - " \"ASC_TRAN\": -1.893119496181938,\n", - " \"ASC_WALK\": -1.9872045506898044,\n", - " \"hhinc#2\": -0.001987067161990932,\n", - " \"hhinc#3\": 0.0004572703656089083,\n", - " \"hhinc#4\": -0.0061615116904621394,\n", - " \"hhinc#5\": -0.014090413152090066,\n", - " \"hhinc#6\": -0.009378906115232344,\n", - " \"tottime\": -0.001738655408619947,\n", + " \"ASC_BIKE\": -3.1599687935759446,\n", + " \"ASC_SR2\": -2.455973172625806,\n", + " \"ASC_SR3P\": -4.079060683312584,\n", + " \"ASC_TRAN\": -1.8939988250520723,\n", + " \"ASC_WALK\": -1.9902214700622933,\n", + " \"hhinc#2\": -0.001983009074692179,\n", + " \"hhinc#3\": 0.0004441610833811871,\n", + " \"hhinc#4\": -0.006153734209369185,\n", + " \"hhinc#5\": -0.014113387546025329,\n", + " \"hhinc#6\": -0.009343173054524425,\n", + " \"tottime\": -0.001739070694166946,\n", " },\n", " rel=1e-3,\n", ")\n", @@ -226,7 +226,7 @@ }, "outputs": [], "source": [ - "result = m.maximize_loglike(stderr=True)" + "result = m.maximize_loglike(stderr=True, options={\"maxiter\": 1000, \"ftol\": 1e-13})" ] }, { @@ -257,7 +257,10 @@ "assert result.loglike == approx(-3788.573358)\n", "assert result.logloss == approx(0.753345269140234)\n", "assert result.message == \"Optimization terminated successfully\"\n", - "assert m.total_weight() == 5029.0" + "assert m.total_weight() == 5029.0\n", + "\n", + "assert result.loglike == approx(result_explicit.loglike, rel=0, abs=1e-6)\n", + "assert result.x[\"totcost\"] / result.x[\"tottime\"] == approx(3.0, rel=1e-6)" ] }, { diff --git a/docs/examples/swissmetro/151-swissmetro-panel-latent-class.ipynb b/docs/examples/swissmetro/151-swissmetro-panel-latent-class.ipynb index 817c3176..a797a765 100644 --- a/docs/examples/swissmetro/151-swissmetro-panel-latent-class.ipynb +++ b/docs/examples/swissmetro/151-swissmetro-panel-latent-class.ipynb @@ -29,6 +29,24 @@ "import larch as lx" ] }, + { + "cell_type": "code", + "execution_count": null, + "id": "double-precision", + "metadata": { + "doc_only": true, + "tags": [ + "remove-cell" + ] + }, + "outputs": [], + "source": [ + "# Use double precision for likelihood and derivative checks in this notebook.\n", + "import jax\n", + "\n", + "jax.config.update(\"jax_enable_x64\", True)" + ] + }, { "cell_type": "code", "execution_count": null, @@ -293,6 +311,7 @@ " {101: m1, 102: m2, 103: m3},\n", " datatree=data.dc.set_altids([1, 2, 3]),\n", " groupid=\"ID\",\n", + " float_dtype=np.float64,\n", ")" ] }, @@ -354,15 +373,16 @@ "# TEST\n", "assert b.d_loglike() == approx(\n", " [\n", - " -1.104770e02,\n", - " -1.545916e03,\n", - " -2.188546e01,\n", - " -9.183448e02,\n", - " -1.658521e02,\n", - " 8.292606e01,\n", - " 4.470348e-08,\n", + " -110.4769662932,\n", + " -1545.916343341,\n", + " -21.89149030073,\n", + " -918.3446977434,\n", + " -165.8520908729,\n", + " 82.92604543645,\n", + " 0.0,\n", " ],\n", " rel=1e-5,\n", + " abs=1e-8,\n", ")" ] }, diff --git a/docs/examples/xlogit-artificial/xlogit-test.ipynb b/docs/examples/xlogit-artificial/xlogit-test.ipynb index d64e4f25..c5d4fdde 100644 --- a/docs/examples/xlogit-artificial/xlogit-test.ipynb +++ b/docs/examples/xlogit-artificial/xlogit-test.ipynb @@ -144,215 +144,225 @@ "metadata": { "tags": [ "remove-cell" - ] + ], + "doc_only": true }, "outputs": [], "source": [ "# TEST\n", - "se, hess, ihess = m.jax_param_cov(m.pvals)\n", - "assert hess == approx(\n", - " np.array(\n", - " [\n", - " [\n", - " 5.214861e03,\n", - " -8.737501e03,\n", - " -1.207186e04,\n", - " 4.689243e03,\n", - " -4.701574e03,\n", - " 2.698417e03,\n", - " -2.037047e03,\n", - " -6.022355e03,\n", - " -8.715623e03,\n", - " 4.149471e00,\n", - " -1.291960e01,\n", - " -1.636162e-01,\n", - " 2.693130e03,\n", - " ],\n", - " [\n", - " -8.737502e03,\n", - " 1.918251e04,\n", - " 2.199170e04,\n", - " -1.065871e04,\n", - " 6.688360e03,\n", - " -2.722472e03,\n", - " 4.219213e01,\n", - " 1.198888e04,\n", - " 1.867886e04,\n", - " 5.044937e00,\n", - " 2.636754e01,\n", - " 8.628845e-01,\n", - " -8.679251e03,\n", - " ],\n", - " [\n", - " -1.207186e04,\n", - " 2.199169e04,\n", - " 3.128377e04,\n", - " -1.174997e04,\n", - " 1.223288e04,\n", - " -7.146222e03,\n", - " 5.618984e03,\n", - " 1.528325e04,\n", - " 2.193285e04,\n", - " -1.277624e01,\n", - " 3.275142e01,\n", - " 6.413689e-01,\n", - " -6.471689e03,\n", - " ],\n", - " [\n", - " 4.689244e03,\n", - " -1.065871e04,\n", - " -1.174997e04,\n", - " 6.683431e03,\n", - " -3.098420e03,\n", - " 9.166903e02,\n", - " 8.549390e02,\n", - " -6.647478e03,\n", - " -1.064853e04,\n", - " -4.171021e00,\n", - " -1.501747e01,\n", - " -1.888428e-01,\n", - " 5.545634e03,\n", - " ],\n", - " [\n", - " -4.701574e03,\n", - " 6.688361e03,\n", - " 1.223288e04,\n", - " -3.098420e03,\n", - " 6.745899e03,\n", - " -4.474388e03,\n", - " 4.947241e03,\n", - " 5.334855e03,\n", - " 6.653889e03,\n", - " -1.206940e01,\n", - " 1.123395e01,\n", - " 3.519630e-01,\n", - " 2.137472e02,\n", - " ],\n", - " [\n", - " 2.698417e03,\n", - " -2.722472e03,\n", - " -7.146222e03,\n", - " 9.166902e02,\n", - " -4.474388e03,\n", - " 4.030793e03,\n", - " -4.448886e03,\n", - " -2.682003e03,\n", - " -2.698321e03,\n", - " 1.166885e01,\n", - " -5.420895e00,\n", - " -1.787338e-01,\n", - " -1.729178e03,\n", - " ],\n", - " [\n", - " -2.037046e03,\n", - " 4.219213e01,\n", - " 5.618985e03,\n", - " 8.549389e02,\n", - " 4.947241e03,\n", - " -4.448886e03,\n", - " 6.745437e03,\n", - " 1.371551e03,\n", - " 3.171216e01,\n", - " -1.749387e01,\n", - " 2.293404e00,\n", - " 8.043671e-02,\n", - " 4.169263e03,\n", - " ],\n", - " [\n", - " -6.022355e03,\n", - " 1.198888e04,\n", - " 1.528325e04,\n", - " -6.647478e03,\n", - " 5.334855e03,\n", - " -2.682003e03,\n", - " 1.371551e03,\n", - " 8.437011e03,\n", - " 1.195731e04,\n", - " 1.625114e00,\n", - " 1.781580e01,\n", - " 7.714996e-01,\n", - " -4.662336e03,\n", - " ],\n", - " [\n", - " -8.715623e03,\n", - " 1.867886e04,\n", - " 2.193285e04,\n", - " -1.064853e04,\n", - " 6.653889e03,\n", - " -2.698321e03,\n", - " 3.171217e01,\n", - " 1.195731e04,\n", - " 1.910547e04,\n", - " 4.064438e00,\n", - " 2.614574e01,\n", - " 5.830841e-01,\n", - " -8.672464e03,\n", - " ],\n", - " [\n", - " 4.149475e00,\n", - " 5.044861e00,\n", - " -1.277600e01,\n", - " -4.171112e00,\n", - " -1.206927e01,\n", - " 1.166878e01,\n", - " -1.749390e01,\n", - " 1.624878e00,\n", - " 4.064697e00,\n", - " -2.158142e03,\n", - " 1.105316e02,\n", - " -2.832360e01,\n", - " -1.466002e01,\n", - " ],\n", - " [\n", - " -1.291957e01,\n", - " 2.636751e01,\n", - " 3.275133e01,\n", - " -1.501750e01,\n", - " 1.123393e01,\n", - " -5.420914e00,\n", - " 2.293438e00,\n", - " 1.781590e01,\n", - " 2.614552e01,\n", - " 1.105317e02,\n", - " 3.290158e03,\n", - " 1.039862e02,\n", - " -1.082738e01,\n", - " ],\n", - " [\n", - " -1.636047e-01,\n", - " 8.629456e-01,\n", - " 6.414795e-01,\n", - " -1.887054e-01,\n", - " 3.519135e-01,\n", - " -1.787491e-01,\n", - " 8.040237e-02,\n", - " 7.715759e-01,\n", - " 5.830688e-01,\n", - " -2.832359e01,\n", - " 1.039862e02,\n", - " 1.726320e03,\n", - " -4.051666e-01,\n", - " ],\n", + "# Use a separate double-precision model for cancellation-sensitive curvature.\n", + "import jax\n", + "\n", + "with jax.experimental.enable_x64():\n", + " curvature_model = m.copy()\n", + " curvature_model.make_random_draws()\n", + " curvature_model._draws = np.asarray(curvature_model._draws, dtype=np.float64)\n", + " curvature_model.pvals = curvature_model.pvals.astype(np.float64)\n", + " se, hess, ihess = curvature_model.jax_param_cov(curvature_model.pvals)\n", + " # Checked independently using conditional feature and draw-score covariances.\n", + " assert hess == approx(\n", + " np.array(\n", " [\n", - " 2.693130e03,\n", - " -8.679251e03,\n", - " -6.471688e03,\n", - " 5.545634e03,\n", - " 2.137472e02,\n", - " -1.729178e03,\n", - " 4.169263e03,\n", - " -4.662337e03,\n", - " -8.672464e03,\n", - " -1.466016e01,\n", - " -1.082734e01,\n", - " -4.051819e-01,\n", - " 7.339009e03,\n", + " [\n", + " 5.2148605454e+03,\n", + " -8.7375012340e+03,\n", + " -1.2071862397e+04,\n", + " 4.6892437252e+03,\n", + " -4.7015736950e+03,\n", + " 2.6984166826e+03,\n", + " -2.0370464502e+03,\n", + " -6.0223557791e+03,\n", + " -8.7156228815e+03,\n", + " 4.1494933643e+00,\n", + " -1.2919575383e+01,\n", + " -1.6361107887e-01,\n", + " 2.6931296859e+03,\n", + " ],\n", + " [\n", + " -8.7375012340e+03,\n", + " 1.9182513675e+04,\n", + " 2.1991695648e+04,\n", + " -1.0658709634e+04,\n", + " 6.6883609225e+03,\n", + " -2.7224720098e+03,\n", + " 4.2192129389e+01,\n", + " 1.1988881136e+04,\n", + " 1.8678858428e+04,\n", + " 5.0449462967e+00,\n", + " 2.6367419069e+01,\n", + " 8.6286065894e-01,\n", + " -8.6792513827e+03,\n", + " ],\n", + " [\n", + " -1.2071862397e+04,\n", + " 2.1991695648e+04,\n", + " 3.1283773817e+04,\n", + " -1.1749966293e+04,\n", + " 1.2232880394e+04,\n", + " -7.1462211573e+03,\n", + " 5.6189845694e+03,\n", + " 1.5283254474e+04,\n", + " 2.1932846718e+04,\n", + " -1.2776261678e+01,\n", + " 3.2751317660e+01,\n", + " 6.4136228241e-01,\n", + " -6.4716883178e+03,\n", + " ],\n", + " [\n", + " 4.6892437252e+03,\n", + " -1.0658709634e+04,\n", + " -1.1749966293e+04,\n", + " 6.6834316156e+03,\n", + " -3.0984196662e+03,\n", + " 9.1669030935e+02,\n", + " 8.5493892247e+02,\n", + " -6.6474775770e+03,\n", + " -1.0648528315e+04,\n", + " -4.1710770358e+00,\n", + " -1.5017398592e+01,\n", + " -1.8882399764e-01,\n", + " 5.5456340841e+03,\n", + " ],\n", + " [\n", + " -4.7015736950e+03,\n", + " 6.6883609225e+03,\n", + " 1.2232880394e+04,\n", + " -3.0984196662e+03,\n", + " 6.7458991530e+03,\n", + " -4.4743878230e+03,\n", + " 4.9472408559e+03,\n", + " 5.3348553460e+03,\n", + " 6.6538886896e+03,\n", + " -1.2069365540e+01,\n", + " 1.1233925206e+01,\n", + " 3.5194535716e-01,\n", + " 2.1374719656e+02,\n", + " ],\n", + " [\n", + " 2.6984166826e+03,\n", + " -2.7224720098e+03,\n", + " -7.1462211573e+03,\n", + " 9.1669030935e+02,\n", + " -4.4743878230e+03,\n", + " 4.0307934605e+03,\n", + " -4.4488857656e+03,\n", + " -2.6820027301e+03,\n", + " -2.6983210949e+03,\n", + " 1.1668837182e+01,\n", + " -5.4208933579e+00,\n", + " -1.7873879323e-01,\n", + " -1.7291781468e+03,\n", + " ],\n", + " [\n", + " -2.0370464502e+03,\n", + " 4.2192129389e+01,\n", + " 5.6189845694e+03,\n", + " 8.5493892247e+02,\n", + " 4.9472408559e+03,\n", + " -4.4488857656e+03,\n", + " 6.7454378744e+03,\n", + " 1.3715508508e+03,\n", + " 3.1712169241e+01,\n", + " -1.7493858065e+01,\n", + " 2.2934360423e+00,\n", + " 8.0407274928e-02,\n", + " 4.1692626971e+03,\n", + " ],\n", + " [\n", + " -6.0223557791e+03,\n", + " 1.1988881136e+04,\n", + " 1.5283254474e+04,\n", + " -6.6474775770e+03,\n", + " 5.3348553460e+03,\n", + " -2.6820027301e+03,\n", + " 1.3715508508e+03,\n", + " 8.4370104335e+03,\n", + " 1.1957313108e+04,\n", + " 1.6251054124e+00,\n", + " 1.7815759117e+01,\n", + " 7.7149546263e-01,\n", + " -4.6623368939e+03,\n", + " ],\n", + " [\n", + " -8.7156228815e+03,\n", + " 1.8678858428e+04,\n", + " 2.1932846718e+04,\n", + " -1.0648528315e+04,\n", + " 6.6538886896e+03,\n", + " -2.6983210949e+03,\n", + " 3.1712169241e+01,\n", + " 1.1957313108e+04,\n", + " 1.9105466630e+04,\n", + " 4.0643711399e+00,\n", + " 2.6145606157e+01,\n", + " 5.8310570734e-01,\n", + " -8.6724638742e+03,\n", + " ],\n", + " [\n", + " 4.1494933643e+00,\n", + " 5.0449462967e+00,\n", + " -1.2776261678e+01,\n", + " -4.1710770358e+00,\n", + " -1.2069365540e+01,\n", + " 1.1668837182e+01,\n", + " -1.7493858065e+01,\n", + " 1.6251054124e+00,\n", + " 4.0643711399e+00,\n", + " -2.1581422642e+03,\n", + " 1.1053166529e+02,\n", + " -2.8323575873e+01,\n", + " -1.4660088744e+01,\n", + " ],\n", + " [\n", + " -1.2919575383e+01,\n", + " 2.6367419069e+01,\n", + " 3.2751317660e+01,\n", + " -1.5017398592e+01,\n", + " 1.1233925206e+01,\n", + " -5.4208933579e+00,\n", + " 2.2934360423e+00,\n", + " 1.7815759117e+01,\n", + " 2.6145606157e+01,\n", + " 1.1053166529e+02,\n", + " 3.2901582295e+03,\n", + " 1.0398625278e+02,\n", + " -1.0827359797e+01,\n", + " ],\n", + " [\n", + " -1.6361107887e-01,\n", + " 8.6286065894e-01,\n", + " 6.4136228241e-01,\n", + " -1.8882399764e-01,\n", + " 3.5194535716e-01,\n", + " -1.7873879323e-01,\n", + " 8.0407274928e-02,\n", + " 7.7149546263e-01,\n", + " 5.8310570734e-01,\n", + " -2.8323575873e+01,\n", + " 1.0398625278e+02,\n", + " 1.7263197935e+03,\n", + " -4.0518471452e-01,\n", + " ],\n", + " [\n", + " 2.6931296859e+03,\n", + " -8.6792513827e+03,\n", + " -6.4716883178e+03,\n", + " 5.5456340841e+03,\n", + " 2.1374719656e+02,\n", + " -1.7291781468e+03,\n", + " 4.1692626971e+03,\n", + " -4.6623368939e+03,\n", + " -8.6724638742e+03,\n", + " -1.4660088744e+01,\n", + " -1.0827359797e+01,\n", + " -4.0518471452e-01,\n", + " 7.3390092265e+03,\n", + " ],\n", " ],\n", - " ],\n", - " dtype=np.float32,\n", - " ),\n", - " rel=1e-3,\n", - ")" + " dtype=np.float64,\n", + " ),\n", + " rel=1e-6,\n", + " )" ] }, { diff --git a/envs/install-graphviz.sh b/envs/install-graphviz.sh new file mode 100755 index 00000000..418395d0 --- /dev/null +++ b/envs/install-graphviz.sh @@ -0,0 +1,71 @@ +#!/usr/bin/env bash + +# Install the native Graphviz tools inside a virtual environment on Debian/Ubuntu. +# APT resolves the missing packages; extraction requires no root privileges. +set -euo pipefail + +if command -v dot >/dev/null 2>&1; then + dot -V + exit 0 +fi + +for required_command in apt-get dpkg-deb awk; do + if ! command -v "$required_command" >/dev/null 2>&1; then + echo "This installer requires Debian/Ubuntu tools; install Graphviz with your system package manager." >&2 + exit 1 + fi +done + +graphviz_venv=$(realpath "${1:-.venv}") +if [[ ! -x "$graphviz_venv/bin/python" ]]; then + echo "Create the virtual environment before installing Graphviz: $graphviz_venv" >&2 + exit 1 +fi +if [[ -x "$graphviz_venv/bin/dot" ]] && "$graphviz_venv/bin/dot" -V; then + exit 0 +fi + +graphviz_downloads=$(mktemp -d "${TMPDIR:-/tmp}/larch-graphviz.XXXXXX") +cleanup() { rm -rf -- "$graphviz_downloads"; } +trap cleanup EXIT + +apt-get --simulate install --no-install-recommends graphviz > "$graphviz_downloads/plan.txt" +mapfile -t graphviz_packages < <( + awk '/^Inst / { version = $3; sub(/^\(/, "", version); print $2 "=" version }' "$graphviz_downloads/plan.txt" +) +if [[ ${#graphviz_packages[@]} == 0 ]]; then + echo "Graphviz is already installed; ensure its dot executable is on PATH." >&2 + exit 1 +fi + +graphviz_root="$graphviz_venv/share/graphviz" +mkdir -p "$graphviz_root" +( + cd "$graphviz_downloads" + apt-get download "${graphviz_packages[@]}" + for graphviz_package in ./*.deb; do + dpkg-deb -x "$graphviz_package" "$graphviz_root" + done +) + +cat > "$graphviz_venv/bin/dot" <<'WRAPPER' +#!/usr/bin/env bash +set -euo pipefail +graphviz_venv=$(cd -- "$(dirname -- "${BASH_SOURCE[0]}")/.." && pwd) +graphviz_root="$graphviz_venv/share/graphviz" +graphviz_libraries=() +for graphviz_directory in "$graphviz_root"/usr/lib/*-linux-gnu "$graphviz_root/usr/lib"; do + if [[ -d "$graphviz_directory" ]]; then + graphviz_libraries+=("$graphviz_directory") + if [[ -d "$graphviz_directory/graphviz" ]]; then + export GVBINDIR="$graphviz_directory/graphviz" + fi + fi +done +printf -v graphviz_library_path '%s:' "${graphviz_libraries[@]}" +export LD_LIBRARY_PATH="${graphviz_library_path%:}${LD_LIBRARY_PATH:+:$LD_LIBRARY_PATH}" +exec "$graphviz_root/usr/bin/dot" "$@" +WRAPPER +chmod +x "$graphviz_venv/bin/dot" +"$graphviz_venv/bin/dot" -c +"$graphviz_venv/bin/dot" -V diff --git a/envs/uv-dev.sh b/envs/uv-dev.sh index 1a71da24..39cf772d 100644 --- a/envs/uv-dev.sh +++ b/envs/uv-dev.sh @@ -116,6 +116,11 @@ fi echo "Creating/syncing the UV python venv ..." uv sync --all-extras +# Graphviz renders notebook graphs and diagrams in Excel reports. +if command -v apt-get >/dev/null 2>&1 && ! command -v dot >/dev/null 2>&1; then + bash envs/install-graphviz.sh .venv +fi + # install sharrow in editable mode in the UV virtual environment echo "Installing sharrow in editable mode ..." uv pip install -e ./subs/sharrow diff --git a/exercises/mixed-logit.ipynb b/exercises/mixed-logit.ipynb index 1aa72eb9..c7619441 100644 --- a/exercises/mixed-logit.ipynb +++ b/exercises/mixed-logit.ipynb @@ -27,7 +27,10 @@ "metadata": {}, "outputs": [], "source": [ - "!pip install -q \"larch>=6\"" + "import importlib.util\n", + "\n", + "if importlib.util.find_spec(\"larch\") is None:\n", + " %pip install -q \"larch>=6\"" ] }, { diff --git a/pyproject.toml b/pyproject.toml index 5642d124..c152b676 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -48,7 +48,7 @@ test = [ "zarr", "tabulate", "altair", - "vl-convert-python", + "vl-convert-python >=1.9.0", "pydot", "pytest-regressions", "openmatrix", @@ -134,6 +134,7 @@ ignore-overlong-task-comments = true [tool.ruff.lint.pydocstyle] convention = "numpy" +# TODO: remove when done with local testing and sharrow wheel for py314 is available [tool.uv.sources] # Local development uses the same Python 3.14 fixes as the CI dependency wheel. sharrow = { path = "../sharrow", editable = true, marker = "python_version >= '3.14'" } diff --git a/uv.lock b/uv.lock index 6cbc5abe..b8fe24f3 100644 --- a/uv.lock +++ b/uv.lock @@ -1147,7 +1147,7 @@ requires-dist = [ { name = "sparse" }, { name = "tables", marker = "extra == 'test'" }, { name = "tabulate", marker = "extra == 'test'" }, - { name = "vl-convert-python", marker = "extra == 'test'" }, + { name = "vl-convert-python", marker = "extra == 'test'", specifier = ">=1.9.0" }, { name = "xarray" }, { name = "xlsxwriter", marker = "extra == 'test'" }, { name = "xmle", specifier = ">=0.1.25" }, @@ -3117,15 +3117,15 @@ wheels = [ [[package]] name = "vl-convert-python" -version = "1.8.0" +version = "1.9.0.post1" source = { registry = "https://pypi.org/simple" } -sdist = { url = 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"2026-01-21T00:09:53.47Z" }, ] [[package]] From a2d9af062d5be564213cf638ad384c2b7d1a49a6 Mon Sep 17 00:00:00 2001 From: Jan Zill Date: Thu, 15 Oct 2026 13:28:58 +1000 Subject: [PATCH 4/4] use float64 for numerical checks --- .../swissmetro/101_swissmetro_mnl.ipynb | 16 +++- tests/test_swissmetro.py | 89 ++++++++++--------- 2 files changed, 62 insertions(+), 43 deletions(-) diff --git a/docs/examples/swissmetro/101_swissmetro_mnl.ipynb b/docs/examples/swissmetro/101_swissmetro_mnl.ipynb index af92795b..4674a070 100644 --- a/docs/examples/swissmetro/101_swissmetro_mnl.ipynb +++ b/docs/examples/swissmetro/101_swissmetro_mnl.ipynb @@ -20,6 +20,7 @@ "outputs": [], "source": [ "# TEST\n", + "import jax\n", "import numpy as np\n", "import pandas as pd\n", "\n", @@ -27,6 +28,8 @@ "pd.set_option(\"expand_frame_repr\", False)\n", "pd.set_option(\"display.precision\", 3)\n", "np.set_printoptions(precision=12)\n", + "# Use double precision for the numerical reference checks.\n", + "jax.config.update(\"jax_enable_x64\", True)\n", "from pytest import approx\n", "\n", "import larch as lx" @@ -298,7 +301,7 @@ "outputs": [], "source": [ "m.set_cap(15)\n", - "result = m.maximize_loglike(method=\"SLSQP\")" + "result = m.maximize_loglike(method=\"SLSQP\", options={\"ftol\": 1e-9})" ] }, { @@ -313,6 +316,8 @@ "outputs": [], "source": [ "# TEST\n", + "assert result.success\n", + "assert abs(m.d_loglike()).max() / m.total_weight() < 1e-5\n", "assert result.loglike == approx(-5331.252006971916)" ] }, @@ -348,8 +353,13 @@ "outputs": [], "source": [ "# TEST\n", - "assert m.pvals == approx([-0.15475, -0.70178, -0.010842, -0.012776], rel=1e-3)\n", - "assert m.pstderr == approx([0.0432357, 0.0548783, 0.000518335, 0.000568829], rel=1e-3)\n", + "assert m.pvals == approx(\n", + " [-0.1546324225, -0.7011867125, -0.01083790651, -0.01277860255], rel=1e-3\n", + ")\n", + "assert m.pstderr == approx(\n", + " [0.04323547174, 0.05487393317, 0.0005183019169, 0.0005688334527],\n", + " rel=1e-3,\n", + ")\n", "assert m.parameter_summary().data[\"t Stat\"].values.astype(float) == approx(\n", " [-3.58, -12.79, -20.92, -22.46], rel=1e-2\n", ")" diff --git a/tests/test_swissmetro.py b/tests/test_swissmetro.py index 78c2fdf3..9adafb7c 100644 --- a/tests/test_swissmetro.py +++ b/tests/test_swissmetro.py @@ -1,5 +1,6 @@ from __future__ import annotations +import jax import pandas as pd from pytest import approx @@ -8,43 +9,51 @@ def test_swissmetro_101(): - m = lx.Model() - m.title = "swissmetro example 01 (simple logit)" - m.availability_co_vars = { - 1: "TRAIN_AV * (SP!=0)", - 2: "SM_AV", - 3: "CAR_AV * (SP!=0)", - } - m.choice_co_code = "CHOICE" - m.utility_co[1] = P("ASC_TRAIN") - m.utility_co[2] = 0 - m.utility_co[3] = P("ASC_CAR") - m.utility_co[1] += X("TRAIN_TT") * P("B_TIME") - m.utility_co[2] += X("SM_TT") * P("B_TIME") - m.utility_co[3] += X("CAR_TT") * P("B_TIME") - m.utility_co[1] += X("TRAIN_CO*(GA==0)") * P("B_COST") - m.utility_co[2] += X("SM_CO*(GA==0)") * P("B_COST") - m.utility_co[3] += X("CAR_CO") * P("B_COST") - m.ordering = [("ASCs", "ASC.*"), ("LOS", "B_.*")] - raw_data = pd.read_csv(lx.example_file("swissmetro.csv.gz")).rename_axis( - index="CASEID" - ) - raw_data.head() - keep = raw_data.eval("PURPOSE in (1,3) and CHOICE != 0") - selected_data = raw_data[keep] - ds = lx.Dataset.construct.from_idco( - selected_data, alts={1: "Train", 2: "SM", 3: "Car"} - ) - m.datatree = ds - m.set_cap(15) - result = m.maximize_loglike(method="SLSQP") - assert result.loglike == approx(-5331.252006971916) - m.calculate_parameter_covariance() - m.parameter_summary() - assert m.pvals == approx([-0.15475, -0.70178, -0.010842, -0.012776], rel=1e-3) - assert m.pstderr == approx( - [0.0432357, 0.0548783, 0.000518335, 0.000568829], rel=1e-3 - ) - assert m.parameter_summary().data["t Stat"].values.astype(float) == approx( - [-3.58, -12.79, -20.92, -22.46], rel=1e-2 - ) + # Float32 likelihood plateaus can stop SLSQP before this coefficient + # benchmark's tolerances are met. Keep precision local to this test. + with jax.experimental.enable_x64(): + m = lx.Model() + m.title = "swissmetro example 01 (simple logit)" + m.availability_co_vars = { + 1: "TRAIN_AV * (SP!=0)", + 2: "SM_AV", + 3: "CAR_AV * (SP!=0)", + } + m.choice_co_code = "CHOICE" + m.utility_co[1] = P("ASC_TRAIN") + m.utility_co[2] = 0 + m.utility_co[3] = P("ASC_CAR") + m.utility_co[1] += X("TRAIN_TT") * P("B_TIME") + m.utility_co[2] += X("SM_TT") * P("B_TIME") + m.utility_co[3] += X("CAR_TT") * P("B_TIME") + m.utility_co[1] += X("TRAIN_CO*(GA==0)") * P("B_COST") + m.utility_co[2] += X("SM_CO*(GA==0)") * P("B_COST") + m.utility_co[3] += X("CAR_CO") * P("B_COST") + m.ordering = [("ASCs", "ASC.*"), ("LOS", "B_.*")] + raw_data = pd.read_csv(lx.example_file("swissmetro.csv.gz")).rename_axis( + index="CASEID" + ) + raw_data.head() + keep = raw_data.eval("PURPOSE in (1,3) and CHOICE != 0") + selected_data = raw_data[keep] + ds = lx.Dataset.construct.from_idco( + selected_data, alts={1: "Train", 2: "SM", 3: "Car"} + ) + m.datatree = ds + m.set_cap(15) + result = m.maximize_loglike(method="SLSQP", options={"ftol": 1e-9}) + assert result.success + assert abs(m.d_loglike()).max() / m.total_weight() < 1e-5 + assert result.loglike == approx(-5331.252006971916) + m.calculate_parameter_covariance() + m.parameter_summary() + assert m.pvals == approx( + [-0.1546324225, -0.7011867125, -0.01083790651, -0.01277860255], rel=1e-3 + ) + assert m.pstderr == approx( + [0.04323547174, 0.05487393317, 0.0005183019169, 0.0005688334527], + rel=1e-3, + ) + assert m.parameter_summary().data["t Stat"].values.astype(float) == approx( + [-3.58, -12.79, -20.92, -22.46], rel=1e-2 + )