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Tensor Network Algorithms: a Route MapMari Carmen Bañuls

May 23 2022 quant-ph arXiv:2205.10345v2

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Tensor networks provide extremely powerful tools for the study of complex classical and quantum many-body problems. Over the last two decades, the increment in the number of techniques and applications has been relentless, and especially the last ten years have seen an explosion of new ideas and results that may be overwhelming for the newcomer. This short review introduces the basic ideas, the best established methods and some of the most significant algorithmic developments that are expanding the boundaries of the tensor network potential. The goal is to help the reader not only appreciate the many possibilities offered by tensor networks, but also find their way through state-of-the-art codes, their applicability and some avenues of ongoing progress.

Estimating the frame potential of large-scale quantum circuit sampling using tensor networks up to 50 qubits

Minzhao Liu, Junyu Liu, Yuri Alexeev, Liang Jiang

May 23 2022 quant-ph cs.LG hep-th arXiv:2205.09900v1

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We develop numerical protocols for estimating the frame potential, the 2-norm distance between a given ensemble and the exact Haar randomness, using the \textttQTensor platform. Our tensor-network-based algorithm has polynomial complexity for shallow circuits and is high performing using CPU and GPU parallelism. We apply the above methods to two problems: the Brown-Susskind conjecture, with local and parallel random circuits in terms of the Haar distance and the approximate kk-design properties of the hardware efficient ansätze in quantum machine learning, which induce the barren plateau problem. We estimate frame potentials with these ensembles up to 50 qubits and k=5k=5, examine the Haar distance of the hardware-efficient ansätze, and verify the Brown-Susskind conjecture numerically. Our work shows that large-scale tensor network simulations could provide important hints toward open problems in quantum information science.

Mitigating barren plateaus of variational quantum eigensolvers

Xia Liu, Geng Liu, Jiaxin Huang, Xin Wang

May 27 2022 quant-ph cs.LG arXiv:2205.13539v1

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Variational quantum algorithms (VQAs) are expected to establish valuable applications on near-term quantum computers. However, recent works have pointed out that the performance of VQAs greatly relies on the capability of the ansatzes and is seriously limited by optimization issues such as barren plateaus (i.e., vanishing gradients). This work proposes the state efficient ansatz (SEA) for accurate quantum dynamics simulations with improved trainability. First, we show that SEA can generate an arbitrary pure state with much fewer parameters than a universal ansatz, making it efficient for tasks like ground state estimation. It also has the flexibility in adjusting the entanglement of the prepared state, which could be applied to further improve the efficiency of simulating weak entanglement. Second, we show that SEA is not a unitary 2-design even if it has universal wavefunction expressibility and thus has great potential to improve the trainability by avoiding the zone of barren plateaus. We further investigate a plethora of examples in ground state estimation and notably obtain significant improvements in the variances of derivatives and the overall optimization behaviors. This result indicates that SEA can mitigate barren plateaus by sacrificing the redundant expressibility for the target problem.

A Convergence Theory for Over-parameterized Variational Quantum Eigensolvers

Xuchen You, Shouvanik Chakrabarti, Xiaodi Wu

May 26 2022 quant-ph cs.LG arXiv:2205.12481v1

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The Variational Quantum Eigensolver (VQE) is a promising candidate for quantum applications on near-term Noisy Intermediate-Scale Quantum (NISQ) computers. Despite a lot of empirical studies and recent progress in theoretical understanding of VQE’s optimization landscape, the convergence for optimizing VQE is far less understood. We provide the first rigorous analysis of the convergence of VQEs in the over-parameterization regime. By connecting the training dynamics with the Riemannian Gradient Flow on the unit-sphere, we establish a threshold on the sufficient number of parameters for efficient convergence, which depends polynomially on the system dimension and the spectral ratio, a property of the problem Hamiltonian, and could be resilient to gradient noise to some extent. We further illustrate that this overparameterization threshold could be vastly reduced for specific VQE instances by establishing an ansatz-dependent threshold paralleling our main result. We showcase that our ansatz-dependent threshold could serve as a proxy of the trainability of different VQE ansatzes without performing empirical experiments, which hence leads to a principled way of evaluating ansatz design. Finally, we conclude with a comprehensive empirical study that supports our theoretical findings.

TensorCircuit: a Quantum Software Framework for the NISQ Era

Shi-Xin Zhang, Jonathan Allcock, Zhou-Quan Wan, Shuo Liu, Jiace Sun, Hao Yu, Xing-Han Yang, Jiezhong Qiu, Zhaofeng Ye, Yu-Qin Chen, Chee-Kong Lee, Yi-Cong Zheng, Shao-Kai Jian, Hong Yao, Chang-Yu Hsieh, Shengyu Zhang

May 23 2022 quant-ph physics.comp-ph arXiv:2205.10091v1

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TensorCircuit is an open source quantum circuit simulator based on tensor network contraction, designed for speed, flexibility and code efficiency. Written purely in Python, and built on top of industry-standard machine learning frameworks, TensorCircuit supports automatic differentiation, just-in-time compilation, vectorized parallelism and hardware acceleration. These features allow TensorCircuit to simulate larger and more complex quantum circuits than existing simulators, and are especially suited to variational algorithms based on parameterized quantum circuits. TensorCircuit enables orders of magnitude speedup for various quantum simulation tasks compared to other common quantum software, and can simulate up to 600 qubits with moderate circuit depth and low-dimensional connectivity. With its time and space efficiency, flexible and extensible architecture and compact, user-friendly API, TensorCircuit has been built to facilitate the design, simulation and analysis of quantum algorithms in the Noisy Intermediate-Scale Quantum (NISQ) era.

Avoiding Barren Plateaus with Classical Deep Neural Networks

Lucas Friedrich, Jonas Maziero

May 27 2022 quant-ph cs.AI cs.LG arXiv:2205.13418v1

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Variational quantum algorithms (VQAs) are among the most promising algorithms in the era of Noisy Intermediate Scale Quantum Devices. The VQAs are applied to a variety of tasks, such as in chemistry simulations, optimization problems, and quantum neural networks. Such algorithms are constructed using a parameterization U(θθθθ) with a classical optimizer that updates the parameters θθθθ in order to minimize a cost function CC. For this task, in general the gradient descent method, or one of its variants, is used. This is a method where the circuit parameters are updated iteratively using the cost function gradient. However, several works in the literature have shown that this method suffers from a phenomenon known as the Barren Plateaus (BP). This phenomenon is characterized by the exponentially flattening of the cost function landscape, so that the number of times the function must be evaluated to perform the optimization grows exponentially as the number of qubits and parameterization depth increase. In this article, we report on how the use of a classical neural networks in the VQAs input parameters can alleviate the BP phenomenon.

Overfitting in quantum machine learning and entangling dropout

Masahiro Kobayashi, Kohei Nakaji, Naoki Yamamoto

May 24 2022 quant-ph cs.LG arXiv:2205.11446v1

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The ultimate goal in machine learning is to construct a model function that has a generalization capability for unseen dataset, based on given training dataset. If the model function has too much expressibility power, then it may overfit to the training data and as a result lose the generalization capability. To avoid such overfitting issue, several techniques have been developed in the classical machine learning regime, and the dropout is one such effective method. This paper proposes a straightforward analogue of this technique in the quantum machine learning regime, the entangling dropout, meaning that some entangling gates in a given parametrized quantum circuit are randomly removed during the training process to reduce the expressibility of the circuit. Some simple case studies are given to show that this technique actually suppresses the overfitting.

Variational Quantum Eigensolver Ansatz for the J1J1-J2J2-model

Verena Feulner, Michael J. Hartmann

May 24 2022 quant-ph cond-mat.str-el arXiv:2205.11198v1

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The ground state properties of the two-dimensional J1−J2J1−J2-model are very challenging to analyze via classical numerical methods due to the high level of frustration. This makes the model a promising candidate where quantum computers could be helpful and possibly explore regimes that classical computers cannot reach. The J1−J2J1−J2-model is a quantum spin model composed of Heisenberg interactions along the rectangular lattice edges and along diagonal edges between next-nearest neighbor spins. We propose an ansatz for the Variational Quantum Eigensolver (VQE) to approximate the ground state of an antiferromagnetic J1−J2J1−J2-Hamiltonian for different lattice sizes and different ratios of J1J1 and J2J2. Moreover, we demonstrate that this ansatz can work without the need for gates along the diagonal next-nearest neighbor interactions. This simplification is of great importance for solid state based hardware with qubits on a rectangular grid, where it eliminates the need for SWAP gates. In addition, we provide an extrapolation for the number of gates and parameters needed for larger lattice sizes, showing that these are expected to grow less than quadratically in the qubit number up to lattice sizes which eventually can no longer be treated with classical computers.

Quantum Kerr Learning

Junyu Liu, Changchun Zhong, Matthew Otten, Cristian L. Cortes, Chaoyang Ti, Stephen K Gray, Xu Han

May 25 2022 quant-ph cs.AI cs.LG stat.ML arXiv:2205.12004v1

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Quantum machine learning is a rapidly evolving area that could facilitate important applications for quantum computing and significantly impact data science. In our work, we argue that a single Kerr mode might provide some extra quantum enhancements when using quantum kernel methods based on various reasons from complexity theory and physics. Furthermore, we establish an experimental protocol, which we call \emphquantum Kerr learning based on circuit QED. A detailed study using the kernel method, neural tangent kernel theory, first-order perturbation theory of the Kerr non-linearity, and non-perturbative numerical simulations, shows quantum enhancements could happen in terms of the convergence time and the generalization error, while explicit protocols are also constructed for higher-dimensional input data.

O(N2)O(N2) Universal Antisymmetry in Fermionic Neural Networks

Tianyu Pang, Shuicheng Yan, Min Lin

May 27 2022 cs.LG physics.chem-ph physics.comp-ph quant-ph arXiv:2205.13205v1

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Fermionic neural network (FermiNet) is a recently proposed wavefunction Ansatz, which is used in variational Monte Carlo (VMC) methods to solve the many-electron Schrödinger equation. FermiNet proposes permutation-equivariant architectures, on which a Slater determinant is applied to induce antisymmetry. FermiNet is proved to have universal approximation capability with a single determinant, namely, it suffices to represent any antisymmetric function given sufficient parameters. However, the asymptotic computational bottleneck comes from the Slater determinant, which scales with O(N3)O(N3) for NN electrons. In this paper, we substitute the Slater determinant with a pairwise antisymmetry construction, which is easy to implement and can reduce the computational cost to O(N2)O(N2). Furthermore, we formally prove that the pairwise construction built upon permutation-equivariant architectures can universally represent any antisymmetric function.

Deterministic Tensor Network Classifiers

L. Wright, F. Barratt, J. Dborin, V. Wimalaweera, B. Coyle, A. G. Green

May 23 2022 quant-ph cond-mat.dis-nn arXiv:2205.09768v1

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We present tensor networks for feature extraction and refinement of classifier performance. These networks can be initialised deterministically and have the potential for implementation on near-term intermediate-scale quantum (NISQ) devices. Feature extraction proceeds through a direct combination and compression of images amplitude-encoded over just logNpixelslog⁡Npixels qubits. Performance is refined using `Quantum Stacking’, a deterministic method that can be applied to the predictions of any classifier regardless of structure, and implemented on NISQ devices using data re-uploading. These procedures are applied to a tensor network encoding of data, and benchmarked against the 10 class MNIST and fashion MNIST datasets. Good training and test accuracy are achieved without any variational training.

Boosting Method for Automated Feature Space Discovery in Supervised Quantum Machine Learning Models

Vladimir Rastunkov, Jae-Eun Park, Abhijit Mitra, Brian Quanz, Steve Wood, Christopher Codella, Heather Higgins, Joseph Broz

May 25 2022 quant-ph arXiv:2205.12199v1

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Quantum Support Vector Machines (QSVM) have become an important tool in research and applications of quantum kernel methods. In this work we propose a boosting approach for building ensembles of QSVM models and assess performance improvement across multiple datasets. This approach is derived from the best ensemble building practices that worked well in traditional machine learning and thus should push the limits of quantum model performance even further. We find that in some cases, a single QSVM model with tuned hyperparameters is sufficient to simulate the data, while in others – an ensemble of QSVMs that are forced to do exploration of the feature space via proposed method is beneficial.

Classification of four-qubit entangled states via Machine Learning

S. V. Vintskevich, N. Bao, A. Nomerotski, P. Stankus, D.A. Grigoriev

May 25 2022 quant-ph arXiv:2205.11512v1

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We apply the support vector machine (SVM) algorithm to derive a set of entanglement witnesses (EW) to identify entanglement patterns in families of four-qubit states. The effectiveness of SVM for practical EW implementations stems from the coarse-grained description of families of equivalent entangled quantum states. The equivalence criteria in our work is based on the stochastic local operations and classical communication (SLOCC) classification and the description of the four-qubit entangled Werner states. We numerically verify that the SVM approach provides an effective tool to address the entanglement witness problem when the coarse-grained description of a given family state is available. We also discuss and demonstrate the efficiency of nonlinear kernel SVM methods as applied to four-qubit entangled state classification.

Quantum variational learning for entanglement witnessing

Francesco Scala, Stefano Mangini, Chiara Macchiavello, Daniele Bajoni, Dario Gerace

May 24 2022 quant-ph arXiv:2205.10429v1

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Several proposals have been recently introduced to implement Quantum Machine Learning (QML) algorithms for the analysis of classical data sets employing variational learning means. There has been, however, a limited amount of work on the characterization and analysis of quantum data by means of these techniques, so far. This work focuses on one such ambitious goal, namely the potential implementation of quantum algorithms allowing to properly classify quantum states defined over a single register of nn qubits, based on their degree of entanglement. This is a notoriously hard task to be performed on classical hardware, due to the exponential scaling of the corresponding Hilbert space as 2n2n. We exploit the notion of “entanglement witness”, i.e., an operator whose expectation values allow to identify certain specific states as entangled. More in detail, we made use of Quantum Neural Networks (QNNs) in order to successfully learn how to reproduce the action of an entanglement witness. This work may pave the way to an efficient combination of QML algorithms and quantum information protocols, possibly outperforming classical approaches to analyse quantum data. All these topics are discussed and properly demonstrated through a simulation of the related quantum circuit model.

Superposed Random Spin Tensor Networks and their Holographic Properties

Simon Langenscheidt

May 23 2022 quant-ph gr-qc hep-th arXiv:2205.09761v1

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We study criteria for and properties of boundary-to-boundary holography in a class of spin network states defined by analogy to projected entangled pair states (PEPS). In particular, we consider superpositions of states corresponding to well-defined, discrete geometries on a graph. By applying random tensor averaging techniques, we map entropy calculations to a random Ising model on the same graph, with distribution of couplings determined by the relative sizes of the involved geometries. The superposition of tensor network states with variable bond dimension used here presents a picture of a genuine quantum sum over geometric backgrounds. We find that, whenever each individual geometry produces an isometric mapping of a fixed boundary region C to its complement, then their superposition does so iff the relative weight going into each geometry is inversely proportional to its size. Additionally, we calculate average and variance of the area of the given boundary region and find that the average is bounded from below and above by the mean and sum of the individual areas, respectively. Finally, we give an outlook on possible extensions to our program and highlight conceptual limitations to implementing these.

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