One of the most promising applications of quantum computing is simulating quantum many-body systems. However, there is still a need for methods to efficiently investigate these systems in a native way, capturing their full complexity. Here we propose variational quantum anomaly detection, an unsupervised quantum machine learning algorithm to analyze quantum data from quantum simulation. The algorithm is used to extract the phase diagram of a system with no prior physical knowledge and can be performed end-to-end on the same quantum device where the system is simulated on. We showcase its capabilities by mapping out the phase diagram of the one-dimensional extended Bose--Hubbard model with dimerized hoppings, which exhibit a symmetry protected topological phase. Further, we show that it can be used with readily accessible devices today by performing the algorithm on a real quantum computer.
One of the most promising applications of quantum computing is simulating quantum many-body systems. However, there is still a need for methods to efficiently investigate these systems in a native way, capturing their full complexity. Here we propose variational quantum anomaly detection, an unsupervised quantum machine learning algorithm to analyze quantum data from quantum simulation. The algorithm is used to extract the phase diagram of a system with no prior physical knowledge and can be performed end-to-end on the same quantum device where the system is simulated on. We showcase its capabilities by mapping out the phase diagram of the one-dimensional extended Bose--Hubbard model with dimerized hoppings, which exhibit a symmetry protected topological phase. Further, we show that it can be used with readily accessible devices today by performing the algorithm on a real quantum computer.
We demonstrate how to explore phase diagrams with automated and unsupervised machine learning to find regions of interest for possible new phases. In contrast to supervised learning, where data is classified using predetermined labels, we here perform anomaly detection, where the task is to differentiate a normal dataset, composed of one or several classes, from anomalous data. As a paradigmatic example, we explore the phase diagram of the extended Bose Hubbard model in one dimension at exact integer filling and employ deep neural networks to determine the entire phase diagram in a completely unsupervised and automated fashion. As input data for learning, we first use the entanglement spectra and central tensors derived from tensor-networks algorithms for ground-state computation and later we extend our method and use experimentally accessible data such as low-order correlation functions as inputs. Our method allows us to reveal a phase-separated region between supersolid and superfluid parts with unexpected properties, which appears in the system in addition to the standard superfluid, Mott insulator, Haldane-insulating, and density wave phases.
The application of state-of-the-art machine learning techniques to statistical physic problems has seen a surge of interest for their ability to discriminate phases of matter by extracting essential features in the many-body wavefunction or the ensemble of correlators sampled in Monte Carlo simulations. Here we introduce a gener- alization of supervised machine learning approaches that allows to accurately map out phase diagrams of inter- acting many-body systems without any prior knowledge, e.g. of their general topology or the number of distinct phases. To substantiate the versatility of this approach, which combines convolutional neural networks with quantum Monte Carlo sampling, we map out the phase diagrams of interacting boson and fermion models both at zero and finite temperatures and show that first-order, second-order, and Kosterlitz-Thouless phase transitions can all be identified. We explicitly demonstrate that our approach is capable of identifying the phase transition to non-trivial many-body phases such as superfluids or topologically ordered phases without supervision.
(English) We perform quantum simulation on classical and quantum computers and set up a machine learning framework in which we can map out phase diagrams of known and unknown quantum many-body systems in an unsupervised fashion. The classical simulations are done with state-of-the-art tensor network methods in one and two spatial dimensions. For one dimensional systems, we utilize matrix product states (MPS) that have many practical advantages and can be optimized using the efficient density matrix renormalization group (DMRG) algorithm. The data for two dimensional systems is obtained from entangled projected pair states (PEPS) optimized via imaginary time evolution. Data in form of observables, entanglement spectra, or parts of the state vectors from these simulations, is then fed into a deep learning (DL) pipeline where we perform anomaly detection to map out the phase diagram. We extend this notion to quantum computers and introduce quantum variational anomaly detection. Here, we first simulate the ground state and then process it in a quantum machine learning (QML) manner. Both simulation and QML routines are performed on the same device, which we demonstrate both in classical simulation and on a physical quantum computer hosted by IBM. (Español) En esta tesis, realizamos simulaciónes cuánticas en ordenadores clásicos y cuánticos y diseñamos un marco de aprendizaje automático en el que podemos construir diagramas de fase de sistemas cuánticos de muchas partículas de manera no supervisada. Las simulaciones clásicas se realizan con métodos de red de tensores de última generación en una y dos dimensiones espaciales. Para sistemas unidimensionales, utilizamos estados de productos de matrices (MPS) que tienen muchas ventajas prácticas y pueden optimizarse utilizando el eficiente algoritmo del grupo de renormalización de matrices de densidad (DMRG). Los datos para sistemas bidimensionales se obtienen mediante los denominados estados de pares entrelazados proyectados (PEPS) optimizados a través de la evolución en tiempo imaginario. Los datos, en forma de observables, espectros de entrelazamiento o partes de los vectores de estado de estas simulaciones, se introducen luego en un algoritmo de aprendizaje profundo (DL) donde realizamos la detección de anomalías para construir el diagrama de fase. Extendemos esta noción a los ordenadores cuánticos e introducimos la detección de anomalías cuánticas variacionales. Aquí, primero simulamos el estado fundamental y luego lo procesamos utilizando el aprendizaje automático cuántico (QML). Tanto las rutinas de simulación como el QML se realizan en el mismo dispositivo, lo que demostramos tanto en una simulación clásica como en un ordenador cuántico real de IBM.
Abstract 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.
Experimental quantum simulators have become large and complex enough that discovering new physics from the huge amount of measurement data can be quite challenging, especially when little theoretical understanding of the simulated model is available. Unsupervised machine learning methods are particularly promising in overcoming this challenge. For the specific task of learning quantum phase transitions, unsupervised machine learning methods have primarily been developed for phase transitions characterized by simple order parameters, typically linear in the measured observables. However, such methods often fail for more complicated phase transitions, such as those involving incommensurate phases, valence-bond solids, topological order, and many-body localization. We show that the diffusion map method, which performs nonlinear dimensionality reduction and spectral clustering of the measurement data, has significant potential for learning such complex phase transitions unsupervised. This method may work for measurements of local observables in a single basis and is thus readily applicable to many experimental quantum simulators as a versatile tool for learning various quantum phases and phase transitions.
The advent of quantum computers has justified the development of quantum machine learning algorithms , based on the adaptation of the principles of machine learning to the formalism of qubits. Among such quantum algorithms, anomaly detection represents an important problem crossing several disciplines from cybersecurity, to fraud detection to particle physics. We summarize the key concepts involved in quantum computing, introducing the formal concept of quantum speed up. The review provides a structured map of anomaly detection based on quantum machine learning. We have grouped existing algorithms according to the different learning methods, namely quantum supervised, quantum unsupervised and quantum reinforcement learning, respectively. We provide an estimate of the hardware resources to provide sufficient computational power in the future. The review provides a systematic and compact understanding of the techniques belonging to each category. We eventually provide a discussion on the computational complexity of the learning methods in real application domains.