Quantum noise is the key challenge in Noisy Intermediate-Scale Quantum (NISQ) computers. Previous work for mitigating noise has primarily focused on gate-level or pulse-level noise-adaptive compilation. However, limited research efforts have explored a higher level of optimization by making the quantum circuits themselves resilient to noise. We propose QuantumNAS, a comprehensive framework for noise-adaptive co-search of the variational circuit and qubit mapping. Variational quantum circuits are a promising approach for constructing QML and quantum simulation. However, finding the best variational circuit and its optimal parameters is challenging due to the large design space and parameter training cost. We propose to decouple the circuit search and parameter training by introducing a novel SuperCircuit. The SuperCircuit is constructed with multiple layers of pre-defined parameterized gates and trained by iteratively sampling and updating the parameter subsets (SubCircuits) of it. It provides an accurate estimation of SubCircuits performance trained from scratch. Then we perform an evolutionary co-search of SubCircuit and its qubit mapping. The SubCircuit performance is estimated with parameters inherited from SuperCircuit and simulated with real device noise models. Finally, we perform iterative gate pruning and finetuning to remove redundant gates. Extensively evaluated with 12 QML and VQE benchmarks on 14 quantum computers, QuantumNAS significantly outperforms baselines. For QML, QuantumNAS is the first to demonstrate over 95% 2-class, 85% 4-class, and 32% 10-class classification accuracy on real QC. It also achieves the lowest eigenvalue for VQE tasks on H2, H2O, LiH, CH4, BeH2 compared with UCCSD. We also open-source TorchQuantum (//github.com/mit-han-lab/torchquantum) for fast training of parameterized quantum circuits to facilitate future research.
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Existing quantum compilers optimize quantum circuits by applying circuit transformations designed by experts. This approach requires significant manual effort to design and implement circuit transformations for different quantum devices, which use different gate sets, and can miss optimizations that are hard to find manually. We propose Quartz, a quantum circuit superoptimizer that automatically generates and verifies circuit transformations for arbitrary quantum gate sets. For a given gate set, Quartz generates candidate circuit transformations by systematically exploring small circuits and verifies the discovered transformations using an automated theorem prover. To optimize a quantum circuit, Quartz uses a cost-based backtracking search that applies the verified transformations to the circuit. Our evaluation on three popular gate sets shows that Quartz can effectively generate and verify transformations for different gate sets. The generated transformations cover manually designed transformations used by existing optimizers and also include new transformations. Quartz is therefore able to optimize a broad range of circuits for diverse gate sets, outperforming or matching the performance of hand-tuned circuit optimizers.
Continuous-time measurements are instrumental for a multitude of tasks in quantum engineering and quantum control, including the estimation of dynamical parameters of open quantum systems monitored through the environment. However, such measurements do not extract the maximum amount of information available in the output state, so finding alternative optimal measurement strategies is a major open problem. In this paper we solve this problem in the setting of discrete-time input-output quantum Markov chains. We present an efficient algorithm for optimal estimation of one-dimensional dynamical parameters which consists of an iterative procedure for updating a `measurement filter' operator and determining successive measurement bases for the output units. A key ingredient of the scheme is the use of a coherent quantum absorber as a way to post-process the output after the interaction with the system. This is designed adaptively such that the joint system and absorber stationary state is pure at a reference parameter value. The scheme offers an exciting prospect for optimal continuous-time adaptive measurements, but more work is needed to find realistic practical implementations.
Approximate Policy Iteration (API) algorithms alternate between (approximate) policy evaluation and (approximate) greedification. Many different approaches have been explored for approximate policy evaluation, but less is understood about approximate greedification and what choices guarantee policy improvement. In this work, we investigate approximate greedification when reducing the KL divergence between the parameterized policy and the Boltzmann distribution over action values. In particular, we investigate the difference between the forward and reverse KL divergences, with varying degrees of entropy regularization. We show that the reverse KL has stronger policy improvement guarantees, but that reducing the forward KL can result in a worse policy. We also demonstrate, however, that a large enough reduction of the forward KL can induce improvement under additional assumptions. Empirically, we show on simple continuous-action environments that the forward KL can induce more exploration, but at the cost of a more suboptimal policy. No significant differences were observed in the discrete-action setting or on a suite of benchmark problems. Throughout, we highlight that many policy gradient methods can be seen as an instance of API, with either the forward or reverse KL for the policy update, and discuss next steps for understanding and improving our policy optimization algorithms.
Generating a test suite for a quantum program such that it has the maximum number of failing tests is an optimization problem. For such optimization, search-based testing has shown promising results in the context of classical programs. To this end, we present a test generation tool for quantum programs based on a genetic algorithm, called QuSBT (Search-based Testing of Quantum Programs). QuSBT automates the testing of quantum programs, with the aim of finding a test suite having the maximum number of failing test cases. QuSBT utilizes IBM's Qiskit as the simulation framework for quantum programs. We present the tool architecture in addition to the implemented methodology (i.e., the encoding of the search individual, the definition of the fitness function expressing the search problem, and the test assessment w.r.t. two types of failures). Finally, we report results of the experiments in which we tested a set of faulty quantum programs with QuSBT to assess its effectiveness. Repository (code and experimental results): //github.com/Simula-COMPLEX/qusbt-tool Video: //youtu.be/3apRCtluAn4
Molecular mechanics (MM) potentials have long been a workhorse of computational chemistry. Leveraging accuracy and speed, these functional forms find use in a wide variety of applications in biomolecular modeling and drug discovery, from rapid virtual screening to detailed free energy calculations. Traditionally, MM potentials have relied on human-curated, inflexible, and poorly extensible discrete chemical perception rules or applying parameters to small molecules or biopolymers, making it difficult to optimize both types and parameters to fit quantum chemical or physical property data. Here, we propose an alternative approach that uses graph neural networks to perceive chemical environments, producing continuous atom embeddings from which valence and nonbonded parameters can be predicted using invariance-preserving layers. Since all stages are built from smooth neural functions, the entire process is modular and end-to-end differentiable with respect to model parameters, allowing new force fields to be easily constructed, extended, and applied to arbitrary molecules. We show that this approach is not only sufficiently expressive to reproduce legacy atom types, but that it can learn to accurately reproduce and extend existing molecular mechanics force fields. Trained with arbitrary loss functions, it can construct entirely new force fields self-consistently applicable to both biopolymers and small molecules directly from quantum chemical calculations, with superior fidelity than traditional atom or parameter typing schemes. When trained on the same quantum chemical small molecule dataset used to parameterize the openff-1.2.0 small molecule force field augmented with a peptide dataset, the resulting espaloma model shows superior accuracy vis-\`a-vis experiments in computing relative alchemical free energy calculations for a popular benchmark set.
The security of quantum key distribution (QKD) is severely threatened by discrepancies between realistic devices and theoretical assumptions. Recently, a significant framework called the reference technique was proposed to provide security against arbitrary source flaws, including pulse correlations. Here, we propose an efficient four-phase twin-field QKD using laser pulses adopting the reference technique for security against all possible source imperfections. We present a characterization of source flaws and connect them to experimental data, together with a finite-key analysis. In addition, we demonstrate the feasibility of our protocol through a proof-of-principle experimental implementation and demonstrate a secure key rate of 1.63 kbps with a 20 dB channel loss. Compared with previous QKD protocols with imperfect devices, our work considerably improves both the secure key rate and the transmission distance, and shows application potential in the practical deployment of secure QKD with device imperfections.
Works on quantum computing and cryptanalysis has increased significantly in the past few years. Various constructions of quantum arithmetic circuits, as one of the essential components in the field, has also been proposed. However, there has only been a few studies on finite field inversion despite its essential use in realizing quantum algorithms, such as in Shor's algorithm for Elliptic Curve Discrete Logarith Problem (ECDLP). In this study, we propose to reduce the depth of the existing quantum Fermat's Little Theorem (FLT)-based inversion circuit for binary finite field. In particular, we propose follow a complete waterfall approach to translate the Itoh-Tsujii's variant of FLT to the corresponding quantum circuit and remove the inverse squaring operations employed in the previous work by Banegas et al., lowering the number of CNOT gates (CNOT count), which contributes to reduced overall depth and gate count. Furthermore, compare the cost by firstly constructing our method and previous work's in Qiskit quantum computer simulator and perform the resource analysis. Our approach can serve as an alternative for a time-efficient implementation.
Recent decades, the emergence of numerous novel algorithms makes it a gimmick to propose an intelligent optimization system based on metaphor, and hinders researchers from exploring the essence of search behavior in algorithms. However, it is difficult to directly discuss the search behavior of an intelligent optimization algorithm, since there are so many kinds of intelligent schemes. To address this problem, an intelligent optimization system is regarded as a simulated physical optimization system in this paper. The dynamic search behavior of such a simplified physical optimization system are investigated with quantum theory. To achieve this goal, the Schroedinger equation is employed as the dynamics equation of the optimization algorithm, which is used to describe dynamic search behaviours in the evolution process with quantum theory. Moreover, to explore the basic behaviour of the optimization system, the optimization problem is assumed to be decomposed and approximated. Correspondingly, the basic search behaviour is derived, which constitutes the basic iterative process of a simple optimization system. The basic iterative process is compared with some classical bare-bones schemes to verify the similarity of search behavior under different metaphors. The search strategies of these bare bones algorithms are analyzed through experiments.
After spending 9 years in Quantum Computing and given the impending timeline of developing good quality quantum processing units, it is the moment to rethink the approach to advance quantum computing research. Rather than waiting for quantum hardware technologies to mature, we need to start assessing in tandem the impact of the occurrence of quantum computing in various scientific fields. However, for this purpose, we need to use a complementary but quite different approach than proposed by the NISQ vision, which is heavily focused on and burdened by the engineering challenges. That is why we propose and advocate the PISQ-approach: Perfect Intermediate-Scale Quantum computing based on the already known concept of perfect qubits. This will allow researchers to focus much more on the development of new applications by defining the algorithms in terms of perfect qubits and evaluating them on quantum computing simulators that are executed on supercomputers. It is not a long-term solution but it will allow universities to currently develop research on quantum logic and algorithms and companies can already start developing their internal know-how on quantum solutions.
The performance of a quantum information processing protocol is ultimately judged by distinguishability measures that quantify how distinguishable the actual result of the protocol is from the ideal case. The most prominent distinguishability measures are those based on the fidelity and trace distance, due to their physical interpretations. In this paper, we propose and review several algorithms for estimating distinguishability measures based on trace distance and fidelity. The algorithms can be used for distinguishing quantum states, channels, and strategies (the last also known in the literature as "quantum combs"). The fidelity-based algorithms offer novel physical interpretations of these distinguishability measures in terms of the maximum probability with which a single prover (or competing provers) can convince a verifier to accept the outcome of an associated computation. We simulate many of these algorithms by using a variational approach with parameterized quantum circuits. We find that the simulations converge well in both the noiseless and noisy scenarios, for all examples considered. Furthermore, the noisy simulations exhibit a parameter noise resilience.
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