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Out-of-distribution generalization for learning quantum dynamics

Matthias C. Caro, Hsin-Yuan Huang, Nicholas Ezzell, Joe Gibbs, Andrew T. Sornborger, Lukasz Cincio, Patrick J. Coles, Zoë Holmes

Apr 22 2022 quant-ph cs.LG stat.ML arXiv:2204.10268v1

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Generalization bounds are a critical tool to assess the training data requirements of Quantum Machine Learning (QML). Recent work has established guarantees for in-distribution generalization of quantum neural networks (QNNs), where training and testing data are assumed to be drawn from the same data distribution. However, there are currently no results on out-of-distribution generalization in QML, where we require a trained model to perform well even on data drawn from a distribution different from the training distribution. In this work, we prove out-of-distribution generalization for the task of learning an unknown unitary using a QNN and for a broad class of training and testing distributions. In particular, we show that one can learn the action of a unitary on entangled states using only product state training data. We numerically illustrate this by showing that the evolution of a Heisenberg spin chain can be learned using only product training states. Since product states can be prepared using only single-qubit gates, this advances the prospects of learning quantum dynamics using near term quantum computers and quantum experiments, and further opens up new methods for both the classical and quantum compilation of quantum circuits.

ADAPT-VQE is insensitive to rough parameter landscapes and barren plateaus

Harper R. Grimsley, George S. Barron, Edwin Barnes, Sophia E. Economou, Nicholas J. Mayhall

Apr 18 2022 quant-ph physics.chem-ph arXiv:2204.07179v

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Variational quantum eigensolvers (VQEs) represent a powerful class of hybrid quantum-classical algorithms for computing molecular energies. Various numerical issues exist for these methods, however, including barren plateaus and large numbers of local minima. In this work, we consider Adaptive, Problem-Tailored (ADAPT)-VQE ansätze, and examine how they are impacted by these local minima. We find that while ADAPT-VQE does not remove local minima, the gradient-informed, one-operator-at-a-time circuit construction seems to accomplish two things: First, it provides an initialization strategy that is dramatically better than random initialization, and which is applicable in situations where chemical intuition cannot help with initialization, i.e., when Hartree-Fock is a poor approximation to the ground state. Second, even if an ADAPT-VQE iteration converges to a local trap at one step, it can still “burrow” toward the exact solution by adding more operators, which preferentially deepens the occupied trap. This same mechanism helps highlight a surprising feature of ADAPT-VQE: It should not suffer optimization problems due to “barren plateaus”. Even if barren plateaus appear in the parameter landscape, our analysis and simulations reveal that ADAPT-VQE avoids such regions by design.

Training variational quantum circuits with CoVaR: covariance root finding with classical shadows

Gregory Boyd, Bálint Koczor

Apr 20 2022 quant-ph arXiv:2204.08494v1

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Exploiting near-term quantum computers and achieving practical value is a considerable and exciting challenge. Most prominent candidates as variational algorithms typically aim to find the ground state of a Hamiltonian by minimising a single classical (energy) surface which is sampled from by a quantum computer. Here we introduce a method we call CoVaR, an alternative means to exploit the power of variational circuits: We find eigenstates by finding joint roots of a polynomially growing number of properties of the quantum state as covariance functions between the Hamiltonian and an operator pool of our choice. The most remarkable feature of our CoVaR approach is that it allows us to fully exploit the extremely powerful classical shadow techniques, i.e., we simultaneously estimate a very large number >104−107>104−107 of covariances. We randomly select covariances and estimate analytical derivatives at each iteration applying a stochastic Levenberg-Marquardt step via a large but tractable linear system of equations that we solve with a classical computer. We prove that the cost in quantum resources per iteration is comparable to a standard gradient estimation, however, we observe in numerical simulations a very significant improvement by many orders of magnitude in convergence speed. CoVaR is directly analogous to stochastic gradient-based optimisations of paramount importance to classical machine learning while we also offload significant but tractable work onto the classical processor.

Dynamical simulation via quantum machine learning with provable generalization

Joe Gibbs, Zoë Holmes, Matthias C. Caro, Nicholas Ezzell, Hsin-Yuan Huang, Lukasz Cincio, Andrew T. Sornborger, Patrick J. Coles

Apr 22 2022 quant-ph cs.LG arXiv:2204.10269v1

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Much attention has been paid to dynamical simulation and quantum machine learning (QML) independently as applications for quantum advantage, while the possibility of using QML to enhance dynamical simulations has not been thoroughly investigated. Here we develop a framework for using QML methods to simulate quantum dynamics on near-term quantum hardware. We use generalization bounds, which bound the error a machine learning model makes on unseen data, to rigorously analyze the training data requirements of an algorithm within this framework. This provides a guarantee that our algorithm is resource-efficient, both in terms of qubit and data requirements. Our numerics exhibit efficient scaling with problem size, and we simulate 20 times longer than Trotterization on IBMQ-Bogota.

Optimizing Tensor Network Contraction Using Reinforcement Learning

Eli A. Meirom, Haggai Maron, Shie Mannor, Gal Chechik

Apr 21 2022 quant-ph cs.LG arXiv:2204.09052v1

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Quantum Computing (QC) stands to revolutionize computing, but is currently still limited. To develop and test quantum algorithms today, quantum circuits are often simulated on classical computers. Simulating a complex quantum circuit requires computing the contraction of a large network of tensors. The order (path) of contraction can have a drastic effect on the computing cost, but finding an efficient order is a challenging combinatorial optimization problem. We propose a Reinforcement Learning (RL) approach combined with Graph Neural Networks (GNN) to address the contraction ordering problem. The problem is extremely challenging due to the huge search space, the heavy-tailed reward distribution, and the challenging credit assignment. We show how a carefully implemented RL-agent that uses a GNN as the basic policy construct can address these challenges and obtain significant improvements over state-of-the-art techniques in three varieties of circuits, including the largest scale networks used in contemporary QC.

2^129621296 Exponentially Complex Quantum Many-Body Simulation via Scalable Deep Learning Method

Xiao Liang, Mingfan Li, Qian Xiao, Hong An, Lixin He, Xuncheng Zhao, Junshi Chen, Chao Yang, Fei Wang, Hong Qian, Li Shen, Dongning Jia, Yongjian Gu, Xin Liu, Zhiqiang Wei

Apr 19 2022 quant-ph cond-mat.dis-nn cond-mat.str-el physics.comp-ph arXiv:2204.07816v1

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For decades, people are developing efficient numerical methods for solving the challenging quantum many-body problem, whose Hilbert space grows exponentially with the size of the problem. However, this journey is far from over, as previous methods all have serious limitations. The recently developed deep learning methods provide a very promising new route to solve the long-standing quantum many-body problems. We report that a deep learning based simulation protocol can achieve the solution with state-of-the-art precision in the Hilbert space as large as 2129621296 for spin system and 31443144 for fermion system , using a HPC-AI hybrid framework on the new Sunway supercomputer. With highly scalability up to 40 million heterogeneous cores, our applications have measured 94% weak scaling efficiency and 72% strong scaling efficiency. The accomplishment of this work opens the door to simulate spin models and Fermion models on unprecedented lattice size with extreme high precision.

Multiqubit State Learning with Entangling Quantum Generative Adversarial Networks

S. E. Rasmussen, N. T. Zinner

Apr 22 2022 quant-ph arXiv:2204.09689v1

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The increasing success of classical generative adversarial networks (GANs) has inspired several quantum versions of GANs. Fully quantum mechanical applications of such quantum GANs have been limited to one- and two-qubit systems. In this paper, we investigate the entangling quantum GAN (EQ-GAN) for multiqubit learning. We show that the EQ-GAN can learn a circuit more efficiently compared to a swap test. We also consider the EQ-GAN for learning VQE-approximated eigenstates, and find that it generates excellent overlap matrix elements when learning VQE states of small molecules. However, this does not directly translate to a good estimate of the energy due to a lack of phase estimation. Finally, we consider random state learning with the EQ-GAN for up to six qubits, using different two-qubit gates, and show that it is capable of learning completely random quantum states, something which could be useful in quantum state loading.

Accelerated Magnonic Motional Cooling with Deep Reinforcement Learning

Bijita Sarma, Sangkha Borah, A Kani, Jason Twamley

Apr 19 2022 quant-ph arXiv:2204.07710v1

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Achieving fast cooling of motional modes is a prerequisite for leveraging such bosonic quanta for high-speed quantum information processing. In this work, we address the aspect of reducing the time limit for cooling below that constrained by the conventional sideband cooling techniques; and propose a scheme to apply deep reinforcement learning (DRL) to achieve this. In particular, we have shown how the scheme can be used effectively to accelerate the dynamic motional cooling of a macroscopic magnonic sphere, and how it can be uniformly extended for more complex systems, for example, a tripartite opto-magno-mechanical system to obtain cooling of the motional mode below the time bound of coherent cooling. While conventional sideband cooling methods do not work beyond the well-known rotating wave approximation (RWA) regimes, our proposed DRL scheme can be applied uniformly to regimes operating within and beyond the RWA, and thus this offers a new and complete toolkit for rapid control and generation of macroscopic quantum states for application in quantum technologies.

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