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Release Notes

0.2.0

New Features

  • A base class TrainableModel is introduced for machine learning models. This class follows Scikit-Learn principles and makes the quantum machine learning compatible with classical models. Both NeuralNetworkClassifier and NeuralNetworkRegressor extend this class. A base class ObjectiveFunction is introduced for objective functions optimized by machine learning models. There are three objective functions introduced that are used by ML models: BinaryObjectiveFunction, MultiClassObjectiveFunction, and OneHotObjectiveFunction. These functions are used internally by the models.

  • The optimizer argument for the classes NeuralNetworkClassifier and NeuralNetworkRegressor, both of which extends the TrainableModel class, is made optional with the default value being SLSQP(). The same is true for the classes VQC and VQR as they inherit from NeuralNetworkClassifier and NeuralNetworkRegressor respectively.

  • The constructor of NeuralNetwork, and all classes that inherit from it, has a new parameter input_gradients which defaults to False. Previously this parameter could only be set using the setter method. Note that TorchConnector previously set input_gradients of the NeuralNetwork it was instantiated with to True. This is not longer the case. So if you use TorchConnector and want to compute the gradients w.r.t. the input, make sure you set input_gradients=True on the NeuralNetwork before passing it to TorchConnector.

  • Added a parameter initial_point to the neural network classifiers and regressors. This an array that is passed to an optimizer as an initial point to start from.

  • Computation of gradients with respect to input data in the backward method of NeuralNetwork is now optional. By default gradients are not computed. They may inspected and turned on, if required, by getting or setting a new property input_gradients in the NeuralNetwork class.

  • Now NeuralNetworkClassifier extends ClassifierMixin and NeuralNetworkRegressor extends RegressorMixin from Scikit-Learn and rely on their methods for score calculation. This also adds an ability to pass sample weights as an optional parameter to the score methods.

Deprecation Notes

  • The valid values passed to the loss argument of the TrainableModel constructor were partially deprecated (i.e. loss='l1' is replaced with loss='absolute_error' and loss='l2' is replaced with loss='squared_error'). This affects instantiation of classes like the NeuralNetworkClassifier. This change was made to reduce confusion that stems from using lowercase ‘l’ character which can be mistaken for a numeric ‘1’ or capital ‘I’. You should update your model instantiations by replacing ‘l1’ with ‘absolute_error’ and ‘l2’ with ‘squared_error’.

  • The weights property in TorchConnector is deprecated in favor of the weight property which is PyTorch compatible. By default, PyTorch layers expose weight properties to get access to the computed weights.

Bug Fixes

  • This fixes the exception that occurs when no optimizer argument is passed to NeuralNetworkClassifier and NeuralNetworkRegressor.

  • Fixes the computation of gradients in TorchConnector when a batch of input samples is provided.

  • TorchConnector now returns the correct input gradient dimensions during the backward pass in hybrid nn training.

  • Added a dedicated handling of ComposedOp as a operator in OpflowQNN. In this case output shape is determined from the first operator in the ComposedOp instance.

  • Fix the dimensions of the gradient in the quantum generator for the qGAN training.