Cumulative update to extend the V2 support for algorithms, updated tutorials, and partial multiclass support for VQC. (#870)

* Added migration guide for 0.8

* Added V2 support for algorithms

* V2 support added for unit tests of the algorithms and tutorials are updated for V2

* Spell check and lint

* Update 02_migration_guide_0.8.rst

* Update 02_migration_guide_0.8.rst

adding optimisation level

* Bugfix for V2 primitives without transpilation

* Fix tutorials and release notes

* Update 04_torch_qgan.ipynb

* Bugfix for Qiskit 1.x register name ambiguity

* Restored docs

* Typo fix in gradients

---------

Co-authored-by: smens <[email protected]>
Co-authored-by: Oscar <[email protected]>

Author: 3 people

docs/migration/02_migration_guide_0.8.rst

@@ -0,0 +1,396 @@
+Qiskit Machine Learning v0.8 Migration Guide
+============================================
+
+This tutorial will guide you through the process of migrating your code
+using V2 primitives.
+
+Introduction
+------------
+
+The Qiskit Machine Learning 0.8 release focuses on transitioning from V1 to V2 primitives. 
+This release also incorporates selected algorithms from the now deprecated `qiskit_algorithms` repository.
+
+
+Contents:
+
+-  Overview of the primitives
+-  Transpilation and Pass Managers
+-  Algorithms from `qiskit_algorithms`
+-  🔪 The Sharp Bits: Common Pitfalls
+
+Overview of the primitives
+--------------------------
+
+With the launch of `Qiskit 1.0`, V1 primitives are deprecated and replaced by V2 primitives. Further details
+are available in the 
+`V2 primitives migration guide <https://docs.quantum.ibm.com/migration-guides/v2-primitives>`__.
+
+The Qiskit Machine Learning 0.8 update aligns with the Qiskit IBM Runtime’s Primitive Unified Block (PUB) 
+requirements and the constraints of the instruction set architecture (ISA) for circuits and observables. 
+
+Users can switch between `V1` primitives and `V2` primitives from version `0.8`.
+
+**Warning**:  V1 primitives are deprecated and will be removed in version `0.9`. To ensure full compatibility 
+with V2 primitives, review the transpilation and pass managers section if your primitives require transpilation, 
+such as those from `qiskit-ibm-runtime`.
+
+Usage of V2 primitives is as straightforward as using V1:
+
+- For kernel based methods:
+
+.. code:: ipython3
+
+    from qiskit.primitives import StatevectorSampler as Sampler
+    from qiskit_machine_learning.state_fidelities import ComputeUncompute
+    from qiskit_machine_learning.kernels import FidelityQuantumKernel
+    ...
+    sampler = Sampler()
+    fidelity = ComputeUncompute(sampler=sampler)
+    feature_map = ZZFeatureMap(num_qubits)
+    qk = FidelityQuantumKernel(feature_map=feature_map, fidelity=fidelity)
+    ...
+
+- For Estimator based neural_network based methods:
+
+.. code:: ipython3
+
+    from qiskit.primitives import StatevectorEstimator as Estimator
+    from qiskit_machine_learning.neural_networks import EstimatorQNN
+    from qiskit_machine_learning.gradients import ParamShiftEstimatorGradient
+    ...
+    estimator = Estimator()
+    estimator_gradient = ParamShiftEstimatorGradient(estimator=estimator)
+    
+    estimator_qnn = EstimatorQNN(
+        circuit=circuit,
+        observables=observables,
+        input_params=feature_map.parameters,
+        weight_params=ansatz.parameters,
+        estimator=estimator,
+        gradient=estimator_gradient,
+    )
+    ...
+
+- For Sampler based neural_network based methods:
+
+.. code:: ipython3
+    
+    from qiskit.primitives import StatevectorSampler as Sampler
+    from qiskit_machine_learning.neural_networks import SamplerQNN
+    from qiskit_machine_learning.gradients import ParamShiftSamplerGradient
+    ...
+    sampler = Sampler()
+    sampler_gradient = ParamShiftSamplerGradient(sampler=sampler)
+
+    sampler_qnn = SamplerQNN(
+        circuit=circuit,
+        input_params=feature_map.parameters,
+        weight_params=ansatz.parameters,
+        interpret=parity,
+        output_shape=output_shape,
+        sampler=sampler,
+        gradient=sampler_gradient,
+    )
+    ...
+
+
+Transpilation and Pass Managers
+-------------------------------
+ 
+If your primitives require transpiled circuits,i.e. `qiskit-ibm-runtime.primitives`,
+use `pass_manager` with `qiskit-machine-learning` functions to optimize performance.
+
+- For kernel based methods:
+
+.. code:: ipython3
+
+    from qiskit_ibm_runtime import Session, SamplerV2
+    from qiskit.providers.fake_provider import GenericBackendV2
+    from qiskit.transpiler.preset_passmanagers import generate_preset_pass_manager
+
+    from qiskit_machine_learning.state_fidelities import ComputeUncompute
+    from qiskit_machine_learning.kernels import FidelityQuantumKernel
+
+    ...
+    backend = GenericBackendV2(num_qubits=num_qubits)
+    session = Session(backend=backend)
+    pass_manager = generate_preset_pass_manager(optimization_level=0, backend=backend)
+
+    sampler = SamplerV2(mode=session)
+    fidelity = ComputeUncompute(sampler=sampler, pass_manager=pass_manager)
+
+    feature_map = ZZFeatureMap(num_qubits)
+    qk = FidelityQuantumKernel(feature_map=feature_map, fidelity=fidelity)
+    ...
+
+- For Estimator based neural_network based methods:
+
+.. code:: ipython3
+
+    from qiskit_ibm_runtime import Session, EstimatorV2
+    from qiskit.providers.fake_provider import GenericBackendV2
+    from qiskit.transpiler.preset_passmanagers import generate_preset_pass_manager
+
+    from qiskit_machine_learning.neural_networks import EstimatorQNN
+    from qiskit_machine_learning.gradients import ParamShiftEstimatorGradient
+
+    ...
+    backend = GenericBackendV2(num_qubits=num_qubits)
+    session = Session(backend=backend)
+
+    estimator = Estimator(mode=session)
+    pass_manager = generate_preset_pass_manager(optimization_level=0, backend=backend)
+    estimator_qnn = EstimatorQNN(
+        circuit=qc,
+        observables=[observables],
+        input_params=feature_map.parameters,
+        weight_params=ansatz.parameters,
+        estimator=estimator,
+        pass_manager=pass_manager,
+    )
+
+or with more details:
+
+.. code:: ipython3
+
+    backend = GenericBackendV2(num_qubits=num_qubits)
+    session = Session(backend=backend)
+
+    estimator = Estimator(mode=session)
+    pass_manager = generate_preset_pass_manager(optimization_level=0, backend=backend)
+    estimator_gradient = ParamShiftEstimatorGradient(
+        estimator=estimator, pass_manager=pass_manager
+    )
+
+    isa_qc = pass_manager.run(qc)
+    observables = SparsePauliOp.from_list(...)
+    isa_observables = observables.apply_layout(isa_qc.layout)
+    estimator_qnn = EstimatorQNN(
+        circuit=isa_qc,
+        observables=[isa_observables],
+        input_params=feature_map.parameters,
+        weight_params=ansatz.parameters,
+        estimator=estimator,
+        gradient=estimator_gradient,
+    )
+
+- For Sampler based neural_network based methods:
+
+.. code:: ipython3
+    
+    from qiskit_ibm_runtime import Session, SamplerV2
+    from qiskit.providers.fake_provider import GenericBackendV2
+    from qiskit.transpiler.preset_passmanagers import generate_preset_pass_manager
+
+    from qiskit_machine_learning.neural_networks import SamplerQNN
+    from qiskit_machine_learning.gradients import ParamShiftSamplerGradient
+
+    ...
+    backend = GenericBackendV2(num_qubits=num_qubits)
+    session = Session(backend=backend)
+    pass_manager = generate_preset_pass_manager(optimization_level=0, backend=backend)
+    sampler = SamplerV2(mode=session)
+
+    sampler_qnn = SamplerQNN(
+        circuit=qc,
+        input_params=feature_map.parameters,
+        weight_params=ansatz.parameters,
+        interpret=parity,
+        output_shape=output_shape,
+        sampler=sampler,
+        pass_manager=pass_manager,
+    )
+
+or with more details:
+
+.. code:: ipython3
+
+    backend = GenericBackendV2(num_qubits=num_qubits)
+    session = Session(backend=backend)
+    pass_manager = generate_preset_pass_manager(optimization_level=0, backend=backend)
+
+    sampler = SamplerV2(mode=session)
+    sampler_gradient = ParamShiftSamplerGradient(sampler=sampler, pass_manager=self.pass_manager)
+    isa_qc = pass_manager.run(qc)
+    sampler_qnn = SamplerQNN(
+        circuit=isa_qc,
+        input_params=feature_map.parameters,
+        weight_params=ansatz.parameters,
+        interpret=parity,
+        output_shape=output_shape,
+        sampler=sampler,
+        gradient=sampler_gradient,
+    )
+    ...
+
+
+Algorithms from `qiskit_algorithms`
+-----------------------------------
+
+Essential features of Qiskit Algorithms have been integrated into Qiskit Machine Learning.
+Therefore, Qiskit Machine Learning will no longer depend on Qiskit Algorithms.
+This migration requires Qiskit 1.0 or higher and may necessitate updating Qiskit Aer. 
+Be cautious during updates to avoid breaking changes in critical production stages. 
+
+Users must update their imports and code references in code that uses Qiskit Machine Leaning and Algorithms:
+
+- Change `qiskit_algorithms.gradients` to `qiskit_machine_learning.gradients`
+- Change `qiskit_algorithms.optimizers` to `qiskit_machine_learning.optimizers`
+- Change `qiskit_algorithms.state_fidelities` to `qiskit_machine_learning.state_fidelities`
+- Update utilities as needed due to partial merge.
+
+To continue using sub-modules and functionalities of Qiskit Algorithms that **have not been transferred**, 
+you may continue using them as before by importing from Qiskit Algorithms. However, be aware that Qiskit Algorithms
+is no longer officially supported and some of its functionalities may not work in your use case. For any problems 
+directly related to Qiskit Algorithms, please open a GitHub issue at 
+`qiskit-algorithms <https://github.com/qiskit-community/qiskit-algorithms>`__.
+Should you want to include a Qiskit Algorithms functionality that has not been incorporated in Qiskit Machine
+Learning, please open a feature-request issue at 
+`qiskit-machine-learning <https://github.com/qiskit-community/qiskit-machine-learning>`__,
+
+explaining why this change would be useful for you and other users.
+
+Four examples of upgrading the code can be found below.
+  
+Gradients:
+
+.. code:: ipython3
+
+    # Before:
+    from qiskit_algorithms.gradients import SPSA, ParameterShift
+    # After:
+    from qiskit_machine_learning.gradients import SPSA, ParameterShift
+    # Usage
+    spsa = SPSA()
+    param_shift = ParameterShift()
+
+Optimizers:
+
+.. code:: ipython3
+
+    # Before:
+    from qiskit_algorithms.optimizers import COBYLA, ADAM
+    # After:
+    from qiskit_machine_learning.optimizers import COBYLA, ADAM
+    # Usage
+    cobyla = COBYLA()
+    adam = ADAM()
+
+Quantum state fidelities:
+
+.. code:: ipython3
+
+    # Before:
+    from qiskit_algorithms.state_fidelities import ComputeFidelity
+    # After:
+    from qiskit_machine_learning.state_fidelities import ComputeFidelity
+    # Usage
+    fidelity = ComputeFidelity()
+
+
+Algorithm globals (used to fix the random seed):
+
+.. code:: ipython3
+
+    # Before:
+    from qiskit_algorithms.utils import algorithm_globals
+    # After:
+    from qiskit_machine_learning.utils import algorithm_globals
+    algorithm_globals.random_seed = 1234
+
+
+🔪 The Sharp Bits: Common Pitfalls
+-----------------------------------
+
+- 🔪 Transpiling without measurements:
+
+.. code:: ipython3
+
+    # Before:
+    qc = QuantumCircuit(1)
+    qc.h(0)
+    qc.ry(params[0], 0)
+    qc.rx(params[1], 0)
+    pass_manager.run(qc)
+
+This approach causes issues for the transpiler, as it will measure all physical qubits instead 
+of virtual qubits when the number of physical qubits exceeds the number of virtual qubits. 
+Always add measurements before transpilation:
+
+
+.. code:: ipython3
+
+    # After:
+    qc = QuantumCircuit(1)
+    qc.h(0)
+    qc.ry(params[0], 0)
+    qc.rx(params[1], 0)
+    qc.measure_all()
+    pass_manager.run(qc)
+
+- 🔪 Dynamic Attribute Naming in Qiskit v1.x:
+
+In the latest version of Qiskit (v1.x), the dynamic naming of attributes based on the
+classical register's name introduces potential bugs.
+Please use `meas` or `c` for your register names to avoid any issues for SamplerV2.
+
+.. code:: ipython3
+
+    # for measue_all():
+    dist = result[0].data.meas.get_counts()
+
+.. code:: ipython3
+
+    # for cbit:
+    dist = result[0].data.c.get_counts()
+
+- 🔪 Adapting observables for transpiled circuits:
+
+.. code:: ipython3
+
+    # Wrong:
+    ...
+    pass_manager = generate_preset_pass_manager(optimization_level=0, backend=backend)
+    isa_qc = pass_manager.run(qc)
+    observables = SparsePauliOp.from_list(...)
+    estimator_qnn = EstimatorQNN(
+        circuit=isa_qc,
+        observables=[observables],
+    ...
+
+
+    # Correct:
+        ...
+        pass_manager = generate_preset_pass_manager(optimization_level=0, backend=backend)
+        isa_qc = pass_manager.run(qc)
+        observables = SparsePauliOp.from_list(...)
+        isa_observables = observables.apply_layout(isa_qc.layout)
+        estimator_qnn = EstimatorQNN(
+            circuit=isa_qc,
+            observables=[isa_observables],
+        ...
+
+
+- 🔪 Passing gradients without a pass manager:
+
+Some gradient algorithms may require creation of new circuits, and primitives from  
+`qiskit-ibm-runtime` require transpilation. Please ensure a pass manager is also provided to gradients.
+
+.. code:: ipython3
+    
+    # Wrong:
+    ...
+    pass_manager = generate_preset_pass_manager(optimization_level=0, backend=backend)
+    gradient = ParamShiftEstimatorGradient(estimator=estimator)
+    ...
+
+    # Correct:
+    ...
+    pass_manager = generate_preset_pass_manager(optimization_level=0, backend=backend)
+    gradient = ParamShiftEstimatorGradient(
+        estimator=estimator, pass_manager=pass_manager
+    )
+    ...
+
+- 🔪 Don't forget to migrate if you are using functions from `qiskit_algorithms` instead of `qiskit-machine-learning` for V2 primitives.
+- 🔪 Some gradients such as SPSA and LCU from `qiskit_machine_learning.gradients` can be very prone to noise, be cautious of gradient values.