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SGTLearn

Total sgt visualization

sgtlearn is a Python package for learning Shape Generalized Trees (SGTs).

  • 🌳 Shape Generalized Trees (SGTs): A class of decision trees where each node applies a learnable, axis-aligned shape function to one or two logical features for non-linear and interpretable splits.
  • 👁 Interpretability: Each node's shape function can be visualized directly.
  • ShapeCART Algorithm: An efficient induction method for learning SGTs from data.
  • 🔀 Extensions:
    • Shape²GT (S²GT): Bivariate shape functions for richer splits.
    • SGTK: Multi-way branching generalization.
    • Shape²CART & ShapeCARTK: Algorithms for learning S²GTs and SGTKs.

[!NOTE] This codebase is an efficient implementation of the algorithms in "Empowering Decision Trees via Shape Function Branching." See the ROADMAP for implementation status and the canonical research code for the paper's original implementation.

Installation

pip install sgtlearn

Wheels are published for CPython 3.11–3.14 on Linux, macOS, and Windows (x86_64 + arm64); no compiler is needed for a binary install. To build from source instead, see Developer Setup.

Quick Start

import matplotlib.pyplot as plt
from sklearn.model_selection import train_test_split
from sgtlearn import SGTClassifier, plot_tree, make_plus

X, y = make_plus(n_samples=1500, grid=3, margin=0.07, random_state=42)

X_train, X_test, y_train, y_test = train_test_split(X, y, test_size=0.2, random_state=42)

model = SGTClassifier(max_depth=4, random_state=42)
model.fit(X_train, y_train)

plot_tree(model, X=X_train)
plt.show()

Read the full docs here: https://sgtlearn.readthedocs.io/en/latest/index.html

Outer growth now always selects the best available regularized split and strictly respects max_leaf_nodes, including multiway splits. Its impurity improvement uses total sample weight and the mean across target outputs. min_impurity_decrease, branching_penalty (new, default 0.0), and pairwise_penalty subtract constant costs in these units; existing positive penalties may need retuning. Inner CART and TAO retain their separate settings. See outer-growth semantics for the scoring formula.

For SGTRegressor and RandomSGForestRegressor, MAE (criterion="absolute_error" or "mae") leaves coordinate descent disabled by default. Each top-level fit emits one UserWarning, including parallel forest fits. Set the environment variable SGTLEARN_MAE_CD=1 before fitting to enable it and omit the warning. The native flag also accepts exactly true, TRUE, or yes; other values keep CD disabled. This does not change TAO settings or affect classification/MSE.

Developer Setup

Use a project-local virtual environment (.venv) so Python, pytest, and scikit-learn stay isolated and reproducible. Pick one of the paths below (uv is recommended). All require Python ≥ 3.11.

Path 1 — uv (recommended)

uv provisions a hermetic CPython and resolves the dev extras in one step:

uv sync --all-extras
source .venv/bin/activate   # Windows: .venv\Scripts\activate

Path 2 — pip + venv (editable)

python3 -m venv .venv
source .venv/bin/activate   # Windows: .venv\Scripts\activate
pip install -U pip
pip install -e ".[dev]"

The editable install builds the C++ extensions via scikit-build-core and installs the sgtlearn package plus native modules into .venv.

Path 3 — pip non-editable (into the active environment)

pip install .
pip install ".[dev]"   # dev extras (pytest, scikit-learn) only if needed

Anaconda users: Do not bootstrap the venv from an Anaconda Python. Anaconda ships a libstdc++.so.6 that lags the symbol versions produced by recent system compilers (gcc ≥ 13), so the install succeeds but import sgtlearn fails with ImportError: GLIBCXX_3.4.NN not found. Use a non-Anaconda Python — e.g. uv venv --python 3.12 .venv (downloads a hermetic CPython), pyenv, or your distro's python3.

Build Workflow (scikit-build + CMake)

pip install . drives this build path:

  1. pyproject.toml selects scikit_build_core.build as the backend.
  2. CMake is configured from cpp/CMakeLists.txt.
  3. Each file in cpp/bindings/*.cpp becomes one pybind11 module target.
  4. After each module is built, pybind11-stubgen generates a matching .pyi.
  5. The .pyi is generated and installed in the same location as the module .so.

C++ Folder Conventions

  • cpp/include/sgtlearn/: public headers for the core C++ API.
  • cpp/src/: internal C++ implementation for the core library.
  • cpp/bindings/: pybind11 binding entrypoints; one .cpp file maps to one Python extension module.
  • cpp/tests/: C++ unit tests consumed by the cpp_tests executable target.

CMake Targets

  • sgtlearn_core (static library): shared C++ logic used by Python modules and tests.
  • <module_name> (pybind11 module, one per file in cpp/bindings/): compiled extension modules installed into the package.
  • cpp_tests (Catch2 executable): optional C++ test target, controlled by:
    • -DSGTLEARN_BUILD_TESTS=ON (build C++ tests)
    • -DSGTLEARN_BUILD_TESTS=OFF (default for pip install; the CMake option itself defaults to ON, but pyproject.toml overrides this so wheels don't ship test binaries)

Overriding CMake options from pip

Example (build C++ tests for one install):

pip install . --config-settings=cmake.args="-DSGTLEARN_BUILD_TESTS=ON"

License

MIT License - see LICENSE for details.

Contributing

Contributions are welcome. Please feel free to submit a pull request.

Citation

If you use this package in your research, please cite:

@article{upadhya2026empowering,
  title={Empowering Decision Trees via Shape Function Branching},
  author={Upadhya, Nakul and Cohen, Eldan},
  journal={Advances in Neural Information Processing Systems},
  volume={38},
  pages={122263--122308},
  year={2026}
}

Additionally, check out our other works on our lab website.

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MD5 7ca484c4f5c3e9882472964cbd502f2f
BLAKE2b-256 a8a6e484f38ae86d77cd0e34dbbd0fa20f71d3bb51d58086d2575521d21c1fc4

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Provenance

The following attestation bundles were made for sgtlearn-0.3.1-cp311-cp311-macosx_10_9_x86_64.whl:

Publisher: workflow.yml on optimal-uoft/sgtlearn

Attestations: Values shown here reflect the state when the release was signed and may no longer be current.

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This release

0.3.1 This release

37 files

0.3.0

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0.2.0

37 files

0.1.1

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0.1.0

37 files

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