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qnn-gradients

qnn-gradients

Construct, execute, differentiate, and troubleshoot Qiskit Machine Learning neural networks and quantum geometry with EstimatorQNN, SamplerQNN, public V2 primitives, and layout-aware gradient workflows.

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name: qnn-gradients description: "Construct, execute, differentiate, and troubleshoot Qiskit Machine Learning neural networks and quantum geometry with EstimatorQNN, SamplerQNN, public V2 primitives, and layout-aware gradient workflows." disable-model-invocation: true metadata: disco-role: operating license: Apache 2.0

QNNs and gradients

Use this route when a request is about NeuralNetwork, EstimatorQNN, SamplerQNN, forward/backward, parameter-shift or other QNN gradients, input gradients, observables, sampler interpretation, sparse outputs, QFI/QGT, effective dimension, or transpilation/layout handling for these workflows.

Route and boundaries

  • Read api-reference.md for public signatures, parameter ordering, output shapes, and primitive-version behavior.
  • Read workflows.md for construction, forward/backward, custom gradients, layout-aware V2, and effective-dimension procedures.
  • Read gradients-and-qgt.md for gradient families, options, derivative types, QGT/QFI, and interpretation of results.
  • Read troubleshooting.md before changing a circuit or primitive after an error.
  • Run scripts/qnn_smoke.py with --help for the bundled public-API smoke; run it without arguments for a tiny estimator/sampler forward and backward check.

Route full classifier/regressor fitting, optimizers, callbacks, and persistence to the algorithms route. Route fidelity kernels and state-fidelity circuits to kernels-fidelity. Route TorchConnector, autograd, sparse Torch integration, and hybrid PyTorch networks to data-circuits-connectors; this route only supplies the QNN and gradient contract that the connector consumes.

Operating contract

  1. Install the public package in the target environment, for example python -m pip install qiskit-machine-learning; add sparse only for sparse SamplerQNN output and use the optional dependency required by the chosen external primitive/backend when applicable.
  2. Decide whether the model output is an expectation value (EstimatorQNN) or a probability/distribution (SamplerQNN). A QNN is stateless: it stores a parameterized circuit and primitives, but not trainable weight values or a fitting loop.
  3. Identify input and weight parameters explicitly. Values are passed to the primitive in inputs followed by weights, in the exact order of the supplied input_params and weight_params sequences. The circuit must have exactly the combined number of parameters.
  4. For EstimatorQNN, use a circuit without measurements and supply one observable or a sequence of observables. For SamplerQNN, ensure the circuit is measured; custom interpret requires an explicit output_shape.
  5. For a V2/runtime-style primitive that needs ISA circuits, transpile with a pass manager and keep its use consistent with the QNN and its gradient. Apply a transpiled circuit's layout to each estimator observable. Add sampler measurements before transpilation and use stable classical-register names such as meas or c.
  6. Check forward and backward shapes against the referenced contract before connecting the QNN to another API. Set input_gradients=True only when input derivatives are needed; the default backward pass returns weight gradients and None for input gradients.
  7. Select a gradient implementation appropriate to the primitive and gates. Parameter-shift is the default for QNNs. Pass runtime options at construction or at gradient.run; run-time options override gradient defaults, which override primitive defaults.
  8. For QFI/QGT or effective dimension, use an estimator-based QGT on a pure, parameterized state, validate sample shapes, and treat shot/precision and pass-manager choices as part of the result's reproducibility record.

Do not claim that a CPU reference smoke proves a vendor backend, cloud runtime, CUDA, or shot-noise behavior. Record an unavailable optional backend as unverified and preserve the recovery steps in troubleshooting.md.

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