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High-quality random samples of quantum states are needed for a variety of tasks in quantum information and quantum computation. Searching the high-dimensional quantum state space for a global maximum of an objective function with many local maxima or evaluating an integral over a region in the quantum state space are but two exemplary applications of many. These tasks can only be performed reliably and efficiently with Monte Carlo methods, which involve good samplings of the parameter space in accordance with the relevant target distribution. We show how the standard strategies of rejection sampling, importance sampling, and Markov-chain sampling can be adapted to this context, where the samples must obey the constraints imposed by the positivity of the statistical operator. For a comparison of these sampling methods, we generate sample points in the probability space for two-qubit states probed with a tomographically incomplete measurement, and then use the sample for the calculation of the size and credibility of the recently-introduced optimal error regions [see New J. Phys. 15 (2013) 123026]. Another illustration is the computation of the fractional volume of separable two-qubit states.
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High-quality random samples of quantum states are needed for a variety of tasks in quantum information and quantum computation. Searching the high-dimensional quantum state space for a global maximum of an objective function with many local maxima or evaluating an integral over a region in the quantum state space are but two exemplary applications of many. These tasks can only be performed reliably and efficiently with Monte Carlo methods, which involve good samplings of the parameter space in accordance with the relevant target distribution. We show how the Markov-chain Monte Carlo method known as Hamiltonian Monte Carlo, or hybrid Monte Carlo, can be adapted to this context. It is applicable when an efficient parameterization of the state space is available. The resulting random walk is entirely inside the physical parameter space, and the Hamiltonian dynamics enable us to take big steps, thereby avoiding strong correlations between successive sample points while enjoying a high acceptance rate. We use examples of single and double qubit measurements for illustration.
Hamiltonian Monte Carlo (HMC) is an efficient Bayesian sampling method that can make distant proposals in the parameter space by simulating a Hamiltonian dynamical system. Despite its popularity in machine learning and data science, HMC is inefficient to sample from spiky and multimodal distributions. Motivated by the energy-time uncertainty relation from quantum mechanics, we propose a Quantum-Inspired Hamiltonian Monte Carlo algorithm (QHMC). This algorithm allows a particle to have a random mass matrix with a probability distribution rather than a fixed mass. We prove the convergence property of QHMC and further show why such a random mass can improve the performance when we sample a broad class of distributions. In order to handle the big training data sets in large-scale machine learning, we develop a stochastic gradient version of QHMC using Nos{e}-Hoover thermostat called QSGNHT, and we also provide theoretical justifications about its steady-state distributions. Finally in the experiments, we demonstrate the effectiveness of QHMC and QSGNHT on synthetic examples, bridge regression, image denoising and neural network pruning. The proposed QHMC and QSGNHT can indeed achieve much more stable and accurate sampling results on the test cases.
Boson sampling is a promising candidate for quantum supremacy. It requires to sample from a complicated distribution, and is trusted to be intractable on classical computers. Among the various classical sampling methods, the Markov chain Monte Carlo method is an important approach to the simulation and validation of boson sampling. This method however suffers from the severe sample loss issue caused by the autocorrelation of the sample sequence. Addressing this, we propose the sample caching Markov chain Monte Carlo method that eliminates the correlations among the samples, and prevents the sample loss at the meantime, allowing more efficient simulation of boson sampling. Moreover, our method can be used as a general sampling framework that can benefit a wide range of sampling tasks, and is particularly suitable for applications where a large number of samples are taken.
Quantum annealing is a practical approach to execute the native instruction set of the adiabatic quantum computation model. The key of running adiabatic algorithms is to maintain a high success probability of evolving the system into the ground state of a problem-encoded Hamiltonian at the end of an annealing schedule. This is typically done by executing the adiabatic algorithm slowly to enforce adiabacity. However, properly optimized annealing schedule can accelerate the computational process. Inspired by the recent success of DeepMinds AlphaZero algorithm that can efficiently explore and find a good winning strategy from a large combinatorial search with a neural-network-assisted Monte Carlo Tree Search (MCTS), we adopt MCTS and propose a neural-network-enabled version, termed QuantumZero (QZero), to automate the design of an optimal annealing schedule in a hybrid quantum-classical framework. The flexibility of having neural networks allows us to apply transfer-learning technique to boost QZeros performance. We find both MCTS and QZero to perform very well in finding excellent annealing schedules even when the annealing time is short in the 3-SAT examples we consider in this study. We also find MCTS and QZero to be more efficient than many other leading reinforcement leanring algorithms for the task of desining annealing schedules. In particular, if there is a need to solve a large set of similar problems using a quantum annealer, QZero is the method of choice when the neural networks are first pre-trained with examples solved in the past.
The hard-disk problem, the statics and the dynamics of equal two-dimensional hard spheres in a periodic box, has had a profound influence on statistical and computational physics. Markov-chain Monte Carlo and molecular dynamics were first discussed for this model. Here we reformulate hard-disk Monte Carlo algorithms in terms of another classic problem, namely the sampling from a polytope. Local Markov-chain Monte Carlo, as proposed by Metropolis et al. in 1953, appears as a sequence of random walks in high-dimensional polytopes, while the moves of the more powerful event-chain algorithm correspond to molecular dynamics evolution. We determine the convergence properties of Monte Carlo methods in a special invariant polytope associated with hard-disk configurations, and the implications for convergence of hard-disk sampling. Finally, we discuss parallelization strategies for event-chain Monte Carlo and present results for a multicore implementation.
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