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Quantum mechanics is one of the most successful and striking theories in physics. It predicts atomic particles can have exotic properties, such as quantum entanglement, that any classical local theory cannot describe. This phenomenon dramatically increases the complexity of nature, and it indicates there is no classical algorithm that can universally simulate all quantum many-body states. On the other hand, as opposed to classical systems, we never observe quantum properties directly since the measurement for the quantum systems is destructive. People can only determine the quantum black box by the statistics of classical readouts. The complexity of quantum objects implies exponentially many measurements and classical data to figure out the quantum states fully. It is underlying those challenges to find an efficient classical representation of quantum many-body states. An efficient (classical) representation will require fewer classical data of quantum states and learn many of its properties. And an efficient representation can also be served as a classical simulation algorithm for the quantum states. The is no universal, efficient representation for all the quantum states, and it usually depends on the learning properties or underlying quantum states. This thesis will give two efficient representations: the classical shadow representation of quantum states and the hierarchical representation of quantum states. We will see that those efficient representations will help us learn and simulate quantum many-body states and lead to many critical applications in quantum information technology, condensed matter physics, and quantum field theory.
This book presents the proceedings of the 24th European Conference on Artificial Intelligence (ECAI 2020), held in Santiago de Compostela, Spain, from 29 August to 8 September 2020. The conference was postponed from June, and much of it conducted online due to the COVID-19 restrictions. The conference is one of the principal occasions for researchers and practitioners of AI to meet and discuss the latest trends and challenges in all fields of AI and to demonstrate innovative applications and uses of advanced AI technology. The book also includes the proceedings of the 10th Conference on Prestigious Applications of Artificial Intelligence (PAIS 2020) held at the same time. A record number of more than 1,700 submissions was received for ECAI 2020, of which 1,443 were reviewed. Of these, 361 full-papers and 36 highlight papers were accepted (an acceptance rate of 25% for full-papers and 45% for highlight papers). The book is divided into three sections: ECAI full papers; ECAI highlight papers; and PAIS papers. The topics of these papers cover all aspects of AI, including Agent-based and Multi-agent Systems; Computational Intelligence; Constraints and Satisfiability; Games and Virtual Environments; Heuristic Search; Human Aspects in AI; Information Retrieval and Filtering; Knowledge Representation and Reasoning; Machine Learning; Multidisciplinary Topics and Applications; Natural Language Processing; Planning and Scheduling; Robotics; Safe, Explainable, and Trustworthy AI; Semantic Technologies; Uncertainty in AI; and Vision. The book will be of interest to all those whose work involves the use of AI technology.
Designing molecules and materials with desired properties is an important prerequisite for advancing technology in our modern societies. This requires both the ability to calculate accurate microscopic properties, such as energies, forces and electrostatic multipoles of specific configurations, as well as efficient sampling of potential energy surfaces to obtain corresponding macroscopic properties. Tools that can provide this are accurate first-principles calculations rooted in quantum mechanics, and statistical mechanics, respectively. Unfortunately, they come at a high computational cost that prohibits calculations for large systems and long time-scales, thus presenting a severe bottleneck both for searching the vast chemical compound space and the stupendously many dynamical configurations that a molecule can assume. To overcome this challenge, recently there have been increased efforts to accelerate quantum simulations with machine learning (ML). This emerging interdisciplinary community encompasses chemists, material scientists, physicists, mathematicians and computer scientists, joining forces to contribute to the exciting hot topic of progressing machine learning and AI for molecules and materials. The book that has emerged from a series of workshops provides a snapshot of this rapidly developing field. It contains tutorial material explaining the relevant foundations needed in chemistry, physics as well as machine learning to give an easy starting point for interested readers. In addition, a number of research papers defining the current state-of-the-art are included. The book has five parts (Fundamentals, Incorporating Prior Knowledge, Deep Learning of Atomistic Representations, Atomistic Simulations and Discovery and Design), each prefaced by editorial commentary that puts the respective parts into a broader scientific context.
The simulation of quantum matter with classical hardware plays a central role in the discovery and development of quantum many-body systems, with far-reaching implications in condensed matter physics and quantum technologies. In general, efficient and sophisticated algorithms are required to overcome the severe challenge posed by the exponential scaling of the Hilbert space of quantum systems. In contrast, hardware built with quantum bits of information are inherently capable of efficiently finding solutions of quantum many-body problems. While a universal and scalable quantum computer is still beyond the horizon, recent advances in qubit manufacturing and coherent control of synthetic quantum matter are leading to a new generation of intermediate scale quantum hardware. The complexity underlying quantum many-body systems closely resembles the one encountered in many problems in the world of information and technology. In both contexts, the complexity stems from a large number of interacting degrees of freedom. A powerful strategy in the latter scenario is machine learning, a subfield of artificial intelligence where large amounts of data are used to extract relevant features and patterns. In particular, artificial neural networks have been demonstrated to be capable of discovering low-dimensional representations of complex objects from high-dimensional dataset, leading to the profound technological revolution we all witness in our daily life. In this Thesis, we envision a new paradigm for scientific discovery in quantum physics. On the one hand, we have the essentially unlimited data generated with the increasing amount of highly controllable quantum hardware. On the other hand, we have a set of powerful algorithms that efficiently capture non-trivial correlations from high-dimensional data. Therefore, we fully embrace this data-driven approach to quantum mechanics, and anticipate new exciting possibilities in the field of quantum many-body physics and quantum information science. We revive a powerful stochastic neural network called a restricted Boltzmann machine, which slowly moved out of fashion after playing a central role in the machine learning revolution of the early 2010s. We introduce a neural-network representation of quantum states based on this generative model. We propose a set of algorithms to reconstruct unknown quantum states from measurement data and numerically demonstrate their potential, with important implications for current experiments. These include the reconstruction of experimentally inaccessible properties, such as entanglement, and diagnostics to determine sources of noise. Furthermore, we introduce a machine learning framework for quantum error correction, where a neural network learns the best decoding strategy directly from data. We expect that the full integration between quantum hardware and artificial intelligence will become the gold standard, and will drive the world into the era of fault-tolerant quantum computing and large-scale quantum simulations.
This two-volume set, LNCS 12923 and 12924, constitutes the thoroughly refereed proceedings of the 5th International Conference on Database and Expert Systems Applications, DEXA 2021. Due to COVID-19 pandemic, the conference was held virtually. The 37 full papers presented together with 31 short papers in these volumes were carefully reviewed and selected from a total of 149 submissions. The papers are organized around the following topics: big data; data analysis and data modeling; data mining; databases and data management; information retrieval; prediction and decision support.
Entanglement is a special form of quantum correlation that exists among quantum particles and it has been realized that surprising things can happen when a large number of particles are entangled together. For example, topological orders emerge in condensed matter systems where the constituent 1023 particles are entangled in a nontrivial way; moreover, quantum computers, which can perform certain tasks significantly faster than classical computers, are made possible by the existence of entanglement among a large number of particles. However, a systematic understanding of entanglement in many-body systems is missing, leaving open the questions of what kinds of many-body entanglement exist, where to find them and what they can be used for. In this thesis, I present my work towards a more systematic understanding of many-body entanglement in systems where the particles interact with each other locally and the ground state of the system is separated from the excited states by a finite energy gap. Under such physically realistic locality and gap constraints, I am able to obtain more understanding concerning the efficient representation of many-body entangled states, the classification of such states according to their universal properties and the application of such states in quantum computation. More specifically, this thesis is focused on the tensor network representation of many-body entangled states and studies how the tensors in the representation reflect the universal properties of the states. An algorithm is presented to extract the universal properties from the tensors and certain symmetry constraints are found necessary for the tensors to represent states with nontrivial topological order. Classification of gapped quantum states is then carried out based on this representation. An operational procedure relating states with the same universal properties is established which is then applied to systems in one and higher dimensions. This leads not only to the discovery of new quantum phases but also to a more systematic understanding of them. A more complete understanding of possible many-body entanglement structures enables us to design an experimentally more feasible many-body entangled state for application in measurement-based quantum computation. Moreover, the framework of measurement-based quantum computation is generalized from spin to fermion systems leading to new possibilities for experimental realization.
Quantum systems with many degrees of freedom are inherently difficult to describe and simulate quantitatively. The space of possible states is, in general, exponentially large in the number of degrees of freedom such as the number of particles it contains. Standard digital high-performance computing is generally too weak to capture all the necessary details, such that alternative quantum simulation devices have been proposed as a solution. Artificial neural networks, with their high non-local connectivity between the neuron degrees of freedom, may soon gain importance in simulating static and dynamical behavior of quantum systems. Particularly promising candidates are neuromorphic realizations based on analog electronic circuits which are being developed to capture, e.g., the functioning of biologically relevant networks. In turn, such neuromorphic systems may be used to measure and control real quantum many-body systems online. This thesis lays an important foundation for the realization of quantum simulations by means of neuromorphic hardware, for using quantum physics as an input to classical neural nets and, in turn, for using network results to be fed back to quantum systems. The necessary foundations on both sides, quantum physics and artificial neural networks, are described, providing a valuable reference for researchers from these different communities who need to understand the foundations of both.
In recent years the development of new classification and regression algorithms based on deep learning has led to a revolution in the fields of artificial intelligence, machine learning, and data analysis. The development of a theoretical foundation to guarantee the success of these algorithms constitutes one of the most active and exciting research topics in applied mathematics. This book presents the current mathematical understanding of deep learning methods from the point of view of the leading experts in the field. It serves both as a starting point for researchers and graduate students in computer science, mathematics, and statistics trying to get into the field and as an invaluable reference for future research.
Tensor network is a fundamental mathematical tool with a huge range of applications in physics, such as condensed matter physics, statistic physics, high energy physics, and quantum information sciences. This open access book aims to explain the tensor network contraction approaches in a systematic way, from the basic definitions to the important applications. This book is also useful to those who apply tensor networks in areas beyond physics, such as machine learning and the big-data analysis. Tensor network originates from the numerical renormalization group approach proposed by K. G. Wilson in 1975. Through a rapid development in the last two decades, tensor network has become a powerful numerical tool that can efficiently simulate a wide range of scientific problems, with particular success in quantum many-body physics. Varieties of tensor network algorithms have been proposed for different problems. However, the connections among different algorithms are not well discussed or reviewed. To fill this gap, this book explains the fundamental concepts and basic ideas that connect and/or unify different strategies of the tensor network contraction algorithms. In addition, some of the recent progresses in dealing with tensor decomposition techniques and quantum simulations are also represented in this book to help the readers to better understand tensor network. This open access book is intended for graduated students, but can also be used as a professional book for researchers in the related fields. To understand most of the contents in the book, only basic knowledge of quantum mechanics and linear algebra is required. In order to fully understand some advanced parts, the reader will need to be familiar with notion of condensed matter physics and quantum information, that however are not necessary to understand the main parts of the book. This book is a good source for non-specialists on quantum physics to understand tensor network algorithms and the related mathematics.
Classical simulation of quantum many-body systems is in general a challenging problem for the simple reason that the dimension of the Hilbert space grows exponentially with the system size. In particular, merely encoding a generic quantum many-body state requires an exponential number of bits. However, condensed matter physicists are mostly interested in local Hamiltonians and especially their ground states, which are highly non-generic. Thus, we might hope that at least some physical systems allow efficient classical simulation. Starting with one-dimensional (1D) quantum systems (i.e., the simplest nontrivial case), the first basic question is: Which classes of states have efficient classical representations? It turns out that this question is quantitatively related to the amount of entanglement in the state, for states with ``little entanglement'' are well approximated by matrix product states (a data structure that can be manipulated efficiently on a classical computer). At a technical level, the mathematical notion for ``little entanglement'' is area law, which has been proved for unique ground states in 1D gapped systems. We establish an area law for constant-fold degenerate ground states in 1D gapped systems and thus explain the effectiveness of matrix-product-state methods in (e.g.) symmetry breaking phases. This result might not be intuitively trivial as degenerate ground states in gapped systems can be long-range correlated. Suppose an efficient classical representation exists. How can one find it efficiently? The density matrix renormalization group is the leading numerical method for computing ground states in 1D quantum systems. However, it is a heuristic algorithm and the possibility that it may fail in some cases cannot be completely ruled out. Recently, a provably efficient variant of the density matrix renormalization group has been developed for frustration-free 1D gapped systems. We generalize this algorithm to all (i.e., possibly frustrated) 1D gapped systems. Note that the ground-state energy of 1D gapless Hamiltonians is computationally intractable even in the presence of translational invariance. It is tempting to extend methods and tools in 1D to two and higher dimensions (2+D), e.g., matrix product states are generalized to tensor network states. Since an area law for entanglement (if formulated properly) implies efficient matrix product state representations in 1D, an interesting question is whether a similar implication holds in 2+D. Roughly speaking, we show that an area law for entanglement (in any reasonable formulation) does not always imply efficient tensor network representations of the ground states of 2+D local Hamiltonians even in the presence of translational invariance. It should be emphasized that this result does not contradict with the common sense that in practice quantum states with more entanglement usually require more space to be stored classically; rather, it demonstrates that the relationship between entanglement and efficient classical representations is still far from being well understood. Excited eigenstates participate in the dynamics of quantum systems and are particularly relevant to the phenomenon of many-body localization (absence of transport at finite temperature in strongly correlated systems). We study the entanglement of excited eigenstates in random spin chains and expect that its singularities coincide with dynamical quantum phase transitions. This expectation is confirmed in the disordered quantum Ising chain using both analytical and numerical methods. Finally, we study the problem of generating ground states (possibly with topological order) in 1D gapped systems using quantum circuits. This is an interesting problem both in theory and in practice. It not only characterizes the essential difference between the entanglement patterns that give rise to trivial and nontrivial topological order, but also quantifies the difficulty of preparing quantum states with a quantum computer (in experiments).