Quantum algorithms can potentially solve a handful of problems more efficiently than their classical counterparts. In that context, it has been discussed that Markov chains problems could be solved significantly faster using quantum computing. Indeed, previous work suggests that quantum computers could accelerate sampling from the stationary distribution of reversible Markov chains. However, in practice, certain physical processes of interest are nonreversible in the probabilistic sense and reversible Markov chains can sometimes be replaced by more efficient nonreversible chains targeting the same stationary distribution. This study constructs Markov chain reversibilizations and develops quantum algorithmic techniques to accelerate nonreversible processes. Such an up-to-exponential quantum speedup goes beyond the predicted quadratic quantum acceleration for reversible chains and is likely to have a decisive impact on many applications ranging from statistics and machine learning to computational modeling in physics, chemistry, biology and finance.
Quantum algorithms can potentially solve a handful of problems more efficiently than their classical counterparts. In that context, it has been discussed that Markov chains problems could be solved significantly faster using quantum computing. Indeed, previous work suggests that quantum computers could accelerate sampling from the stationary distribution of reversible Markov chains. However, in practice, certain physical processes of interest are nonreversible in the probabilistic sense and reversible Markov chains can sometimes be replaced by more efficient nonreversible chains targeting the same stationary distribution. This study constructs Markov chain reversibilizations and develops quantum algorithmic techniques to accelerate nonreversible processes. Such an up-to-exponential quantum speedup goes beyond the predicted quadratic quantum acceleration for reversible chains and is likely to have a decisive impact on many applications ranging from statistics and machine learning to computational modeling in physics, chemistry, biology and finance.
Sampling from the stationary distribution is one of the fundamental tasks of Markov-chain-based algorithms and has important applications in machine learning, combinatorial optimization, and network science. For the quantum case, quantum sampling from Markov chains corresponds to preparing quantum states with amplitudes arbitrarily close to the square root of a stationary distribution instead of classical sampling from a stationary distribution. A different quantum sampling algorithm for all reversible Markov chains is constructed by discrete-time quantum walks. We build a quantum sampling algorithm that not only accelerates nonregular graphs, but also keeps the speed up of existing quantum algorithms for regular graphs. In nonregular graphs, the invocation of the quantum fast-forwarding algorithm accelerates previous state-of-the-art quantum sampling algorithms for both discrete-time and continuous-time cases, especially on sparse graphs. Compared to existing algorithms, we decrease the runtime by a factor of logn, where n is the number of graph vertices. In regular graphs, our results match other quantum algorithms and the reliance on the gap of Markov chains achieves quadratic speedup compared with classical cases. For both cases, we reduce the number of ancilla qubits required compared with the existing results. In some widely used graphs and a series of sparse graphs where stationary distributions are difficult to reach quickly, our algorithm achieves complete quadratic acceleration (without log factor) over the classical case without any limit. In addition, we construct a different reflection around the stationary state with fewer ancilla qubits and believe it may have an independent application.
Monte Carlo methods use random sampling to estimate numerical quantities which are hard to compute deterministically. One important example is the use in statistical physics of rapidly mixing Markov chains to approximately compute partition functions. In this work, we describe a quantum algorithm which can accelerate Monte Carlo methods in a very general setting. The algorithm estimates the expected output value of an arbitrary randomized or quantum subroutine with bounded variance, achieving a near-quadratic speedup over the best possible classical algorithm. Combining the algorithm with the use of quantum walks gives a quantum speedup of the fastest known classical algorithms with rigorous performance bounds for computing partition functions, which use multiple-stage Markov chain Monte Carlo techniques. The quantum algorithm can also be used to estimate the total variation distance between probability distributions efficiently.
Efficient sampling from a classical Gibbs distribution is an important computational problem with applications ranging from statistical physics over Monte Carlo and optimization algorithms to machine learning. We introduce a family of quantum algorithms that provide unbiased samples by preparing a state encoding the entire Gibbs distribution. We show that this approach leads to a speedup over a classical Markov chain algorithm for several examples, including the Ising model and sampling from weighted independent sets of two different graphs. Our approach connects computational complexity with phase transitions, providing a physical interpretation of quantum speedup. Moreover, it opens the door to exploring potentially useful sampling algorithms on near-term quantum devices, as the algorithm for sampling from independent sets on certain graphs can be naturally implemented using Rydberg atom arrays.
Quantum algorithms present a quadratically improved complexity over classical ones for certain sampling tasks. For instance, the Quantum Amplitude Estimation (QAE) algorithm promises to speed up the estimation of the mean of certain functions, given access to the quantum state corresponding to the probability distribution to be sampled from. Classically, samples are often obtained by simulating a Markov chain. In this work, we experimentally use encodings of Markov chains to prepare quantum states and run a quantum Markov Chain Monte Carlo (qMCMC) algorithm on Quantinuum System Model H2 and Quantinuum Helios quantum computers. We first demonstrate that it is possible to obtain accurate results by operating directly on the physical qubits. Crucially, to pave the way toward fault-tolerant execution, we also implement these algorithms using logical qubits protected by the Iceberg Quantum Error Detection (QED) code. By applying multiple rounds of mid-circuit QED during a random walk, we successfully catch and filter out hardware errors. These experiments demonstrate the feasibility of qMCMC on quantum hardware, bringing us closer to realizing quadratic quantum speedups with broad applications ranging from molecular modeling to machine learning and finance.
We introduce a new tool for quantum algorithms called quantum fast-forwarding (QFF). The tool uses quantum walks as a means to quadratically fast-forward a reversible Markov chain. More specifically, with P the Markov chain transition matrix and D=P∘PT its discriminant matrix (D=P if P is symmetric), we construct a quantum walk algorithm that for any quantum state ∣v⟩ and integer t returns a quantum state ε-close to the state Dt∣v⟩/∥Dt∣v⟩∥. The algorithm uses O(∥Dt∣v⟩∥−1tlog(ε∥Dt∣v⟩∥)−1) expected quantum walk steps and O(∥Dt∣v⟩∥−1) expected reflections around ∣v⟩. This shows that quantum walks can accelerate the transient dynamics of Markov chains, complementing the line of results that proves the acceleration of their limit behavior. We show that this tool leads to speedups on random walk algorithms in a very natural way. Specifically we consider random walk algorithms for testing the graph expansion and clusterability, and show that we can quadratically improve the dependency of the classical property testers on the random walk runtime. Moreover, our quantum algorithm exponentially improves the space complexity of the classical tester to logarithmic. As a subroutine of independent interest, we use QFF for determining whether a given pair of nodes lies in the same cluster or in separate clusters. This solves a robust version of s-t connectivity, relevant in a learning context for classifying objects among a set of examples. The different algorithms crucially rely on the quantum speedup of the transient behavior of random walks.
Markov chain methods are remarkably successful in computational physics, machine learning, and combinatorial optimization. The cost of such methods often reduces to the mixing time, i.e., the time required to reach the steady state of the Markov chain, which scales as δ−1 , the inverse of the spectral gap. It has long been conjectured that quantum computers offer nearly generic quadratic improvements for mixing problems. However, except in special cases, quantum algorithms achieve a run-time of O(δ−1N) , which introduces a costly dependence on the Markov chain size N, not present in the classical case. Here, we re-address the problem of mixing of Markov chains when these form a slowly evolving sequence. This setting is akin to the simulated annealing setting and is commonly encountered in physics, material sciences and machine learning. We provide a quantum memory-efficient algorithm with a run-time of O(δ−1N4) , neglecting logarithmic terms, which is an important improvement for large state spaces. Moreover, our algorithms output quantum encodings of distributions, which has advantages over classical outputs. Finally, we discuss the run-time bounds of mixing algorithms and show that, under certain assumptions, our algorithms are optimal.