PennyLane is a Python 3 software framework for optimization and machine learning of quantum and hybrid quantumclassical computations. The library provides a unified architecture for near-term quantum computing devices, supporting both qubit and continuous-variable paradigms. PennyLane's core feature is the ability to compute gradients of variational quantum circuits in a way that is compatible with classical techniques such as backpropagation. PennyLane thus extends the automatic differentiation algorithms common in optimization and machine learning to include quantum and hybrid computations. A plugin system makes the framework compatible with any gate-based quantum simulator or hardware.We provide plugins for Strawberry Fields, Rigetti Forest, Qiskit, and ProjectQ, allowing PennyLane optimizations to be run on publicly accessible quantum devices provided by Rigetti and IBM Q. On the classical front, PennyLane interfaces with accelerated machine learning libraries such as TensorFlow, PyTorch, and autograd. PennyLane can be used for the optimization of variational quantum eigensolvers, quantum approximate optimization, quantum machine learning models, and many other applications.

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Identifying phase transitions is one of the key challenges in quantum many-body physics. Recently, machine learning methods have been shown to be an alternative way of localising phase boundaries from noisy and imperfect data without the knowledge of the order parameter. Here, we apply different unsupervised machine learning techniques, including anomaly detection and influence functions, to experimental data from ultracold atoms. In this way, we obtain the topological phase diagram of the Haldane model in a completely unbiased fashion. We show that these methods can successfully be applied to experimental data at finite temperatures and to the data of Floquet systems when post-processing the data to a single micromotion phase. Our work provides a benchmark for the unsupervised detection of new exotic phases in complex many-body systems.

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We demonstrate how to map out the phase diagram of a two dimensional quantum many body system with no prior physical knowledge by applying deep anomaly detection to ground states from infinite projected entangled pair state simulations. As a benchmark, the phase diagram of the 2D frustrated bilayer Heisenberg model is analyzed, which exhibits a second-order and two first-order quantum phase transitions. We show that in order to get a good qualitative picture of the transition lines, it suffices to use data from the cost-efficient simple update optimization. Results are further improved by post-selecting ground-states based on their energy at the cost of contracting the tensor network once. Moreover, we show that the mantra of ``more training data leads to better results'' is not true for the learning task at hand and that, in principle, one training example suffices for this learning task. This puts the necessity of neural network optimizations for these learning tasks in question and we show that, at least for the model and data at hand, a simple geometric analysis suffices.