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数据与研究 · SKILL.md

qiskit-machine-learning

qiskit-machine-learning

【数据与研究】Guides public Qiskit Machine Learning workflows for quantum classifiers and regressors, quantum kernels, QNNs and gradients, optimizers, datasets, circuits, reference primitives, and PyTorch connectors.

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技能说明

GitHub

name: qiskit-machine-learning description: "Guides public Qiskit Machine Learning workflows for quantum classifiers and regressors, quantum kernels, QNNs and gradients, optimizers, datasets, circuits, reference primitives, and PyTorch connectors." disable-model-invocation: true metadata: disco-role: operating license: Apache 2.0

Qiskit Machine Learning

Use this skill when a task asks how to install or use the public qiskit-machine-learning package, build a quantum machine-learning model, compute a quantum kernel, construct a QNN, select an optimizer, generate a built-in dataset, use reference primitives, or connect a QNN to PyTorch. This skill describes package version 1.0.0 evidence from Qiskit Machine Learning commit 3bdcce7e39aaca0700a7a7fcfba79230a8825a41; read repo-provenance.md before deciding whether a checkout is stale.

Install and verify

Install the public distribution rather than depending on a source checkout:

python -m pip install qiskit-machine-learning
python -c "import qiskit_machine_learning as qml; print(qml.__version__)"

The base package requires Python >=3.10, Qiskit >=2.0, NumPy, SciPy, scikit-learn, and dill. Add only the extras needed by the requested workflow:

  • python -m pip install 'qiskit-machine-learning[torch]' for TorchConnector and PyTorch autograd.
  • python -m pip install 'qiskit-machine-learning[sparse]' for sparse arrays.
  • Install nlopt separately for the NLopt optimizer family.
  • Install qiskit-aer only when an Aer backend is explicitly selected.

Run scripts/check_env.py for a public import and optional-backend diagnosis; read its --help output before adding --require-* gates. The helper does not download data, contact a service, or require the original repository.

Route by task

  • End-to-end fit, predict, score, save/load, VQC/VQR/QSVC/QSVR, or Bayesian inference: read algorithms.
  • EstimatorQNN/SamplerQNN construction, forward/backward, gradients, QFI, QGT, or effective dimension: read qnn-gradients.
  • Fidelity/statevector kernels, trainable kernels, ComputeUncompute, kernel matrices, or kernel training: read kernels-fidelity.
  • COBYLA, SPSA/QNSPSA, ADAM, gradient descent, ask/tell, bounds, or NLopt: read optimizers.
  • Built-in datasets, circuit helpers, exact primitives, TorchConnector, sparse output, or optional-backend diagnosis: read data-circuits-connectors.

A task may cross routes. For example, a VQC request starts in algorithms, then follows qnn-gradients for a custom QNN and optimizers for detailed noise-aware tuning. A QSVC request starts in algorithms but follows kernels-fidelity when the kernel matrix or fidelity primitive is the issue.

Shared operating rules

  1. Treat X as a numeric (n_samples, n_features) array and check that the feature map, circuit parameters, and qubit count agree before fitting.
  2. Choose estimator versus sampler semantics deliberately: estimators return expectation values; samplers return distributions or interpreted outputs.
  3. For Qiskit V2 or IBM Runtime primitives, transpile with a compatible pass manager, add measurements before sampler transpilation, and apply a transpiled circuit layout to estimator observables.
  4. Bound pilot optimizer iterations, set qiskit_machine_learning.utils.algorithm_globals.random_seed when reproducibility matters, and report the actual primitive/backend used.
  5. Keep optional dependency and accelerator claims explicit. A successful CPU import does not prove CUDA, ROCm, cloud, or vendor-runtime behavior.
  6. Treat dill model files as trusted executable artifacts; record package, primitive, circuit, preprocessing, and optimizer versions alongside them.

Read api-surface.md for the public family map, migration-and-sharp-bits.md for V2 migration and layout failures, and troubleshooting.md for cross-cutting installation, optional-dependency, and runtime recovery.

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