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Recent computations involving quantum processing units (QPUs) have demonstrated a series of challenges inherent to hybrid classical-quantum programming, compilation, execution, and verification and validation. Despite considerable progress, system-level noise, limited low-level instructions sets, remote access models, and an overall lack of portability and classical integration presents near-term programming challenges that must be overcome in order to enable reliable scientific quantum computing and support robust hardware benchmarking. In this work, we draw on our experience in programming QPUs to identify common concerns and challenges, and detail best practices for mitigating these challenge within the current hybrid classical-quantum computing paradigm. Following this discussion, we introduce the XACC quantum compilation and execution framework as a hardware and language agnostic solution that addresses many of these hybrid programming challenges. XACC supports extensible methodologies for managing a variety of programming, compilation, and execution concerns across the increasingly diverse set of QPUs. We use recent nuclear physics simulations to illustrate how the framework mitigates programming, compilation, and execution challenges and manages the complex workflow present in QPU-enhanced scientific applications. Finally, we codify the resulting hybrid scientific computing workflow in order to identify key areas requiring future improvement.
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The concept of quantum computing has inspired a whole new generation of scientists, including physicists, engineers, and computer scientists, to fundamentally change the landscape of information technology. With experimental demonstrations stretching back more than two decades, the quantum computing community has achieved a major milestone over the past few years: the ability to build systems that are stretching the limits of what can be classically simulated, and which enable cloud-based research for a wide range of scientists, thus increasing the pool of talent exploring early quantum systems. While such noisy near-term quantum computing systems fall far short of the requirements for fault-tolerant systems, they provide unique testbeds for exploring the opportunities for quantum applications. Here we highlight the facets associated with these systems, including quantum software, cloud access, benchmarking quantum systems, error correction and mitigation in such systems, and understanding the complexity of quantum circuits and how early quantum applications can run on near term quantum computers.
The practical use of many types of near-term quantum computers requires accounting for their limited connectivity. One way of overcoming limited connectivity is to insert swaps in the circuit so that logical operations can be performed on physically adjacent qubits, which we refer to as solving the `routing via matchings problem. We address the routing problem for families of quantum circuits defined by a hypergraph wherein each hyperedge corresponds to a potential gate. Our main result is that any unordered set of $k$-qubit gates on distinct $k$-qubit subsets of $n$ logical qubits can be ordered and parallelized in $O(n^{k-1})$ depth using a linear arrangement of $n$ physical qubits; the construction is completely general and achieves optimal scaling in the case where gates acting on all $binom{n}{k}$ sets of $k$ qubits are desired. We highlight two classes of problems for which our method is particularly useful. First, it applies to sets of mutually commuting gates, as in the (diagonal) phase separators of Quantum Alternating Operator Ansatz (Quantum Approximate Optimization Algorithm) circuits. For example, a single level of a QAOA circuit for Maximum Cut can be implemented in linear depth, and a single level for $3$-SAT in quadratic depth. Second, it applies to sets of gates that do not commute but for which compilation efficiency is the dominant criterion in their ordering. In particular, it can be adapted to Trotterized time-evolution of fermionic Hamiltonians under the Jordan-Wigner transformation, and also to non-standard mixers in QAOA. Using our method, a single Trotter step of the electronic structure Hamiltonian in an arbitrary basis of $n$ orbitals can be done in $O(n^3)$ depth while a Trotter step of the unitary coupled cluster singles and doubles method can be implemented in $O(n^2 eta)$ depth, where $eta$ is the number of electrons.
Solving linear systems of equations is essential for many problems in science and technology, including problems in machine learning. Existing quantum algorithms have demonstrated the potential for large speedups, but the required quantum resources are not immediately available on near-term quantum devices. In this work, we study near-term quantum algorithms for linear systems of equations of the form $Ax = b$. We investigate the use of variational algorithms and analyze their optimization landscapes. There exist types of linear systems for which variational algorithms designed to avoid barren plateaus, such as properly-initialized imaginary time evolution and adiabatic-inspired optimization, suffer from a different plateau problem. To circumvent this issue, we design near-term algorithms based on a core idea: the classical combination of variational quantum states (CQS). We exhibit several provable guarantees for these algorithms, supported by the representation of the linear system on a so-called Ansatz tree. The CQS approach and the Ansatz tree also admit the systematic application of heuristic approaches, including a gradient-based search. We have conducted numerical experiments solving linear systems as large as $2^{300} times 2^{300}$ by considering cases where we can simulate the quantum algorithm efficiently on a classical computer. These experiments demonstrate the algorithms ability to scale to system sizes within reach in near-term quantum devices of about $100$-$300$ qubits.
In this article, we show how to map a sampling of the hardest artificial intelligence problems in space exploration onto equivalent Ising models that then can be attacked using quantum annealing implemented in D-Wave machine. We overview the existing results as well as propose new Ising model implementations for quantum annealing. We review supervised and unsupervised learning algorithms for classification and clustering with applications to feature identification and anomaly detection. We introduce algorithms for data fusion and image matching for remote sensing applications. We overview planning problems for space exploration mission applications and algorithms for diagnostics and recovery with applications to deep space missions. We describe combinatorial optimization algorithms for task assignment in the context of autonomous unmanned exploration. Finally, we discuss the ways to circumvent the limitation of the Ising mapping using a blackbox approach based on ideas from probabilistic computing. In this article we describe the architecture of the D-Wave One machine and report its benchmarks. Results on random ensemble of problems in the range of up to 96 qubits show improved scaling for median core quantum annealing time compared with classical algorithms; whether this scaling persists for larger problem sizes is an open question. We also review previous results of D-Wave One benchmarking studies for solving binary classification problems with a quantum boosting algorithm which is shown to outperform AdaBoost. We review quantum algorithms for structured learning for multi-label classification and introduce a hybrid classical/quantum approach for learning the weights. Results of D-Wave One benchmarking studies for learning structured labels on four different data sets show a better performance compared with an independent Support Vector Machine approach with linear kernel.
We review a recent theoretical proposal for a universal quantum computing platform based on tunable nonlinear electromechanical nano-oscillators, in which qubits are encoded in the anharmonic vibrational modes of mechanical resonators coupled to a superconducting circuitry. The digital quantum simulation of spin-type model Hamiltonians, such as the Ising model in a transverse field, could be performed with very high fidelities on such a prospective platform. Here we challenge our proposed simulator with the actual IBM-Q quantum processor available on cloud. We show that such state-of-art implementation of a quantum computer, based on transmon qubits and superconducting technology, is able to perform digital quantum simulations. However, encoding the qubits in mechanical degrees of freedom would allow to outperform the current implementations in terms of fidelity and scalability of the quantum simulation.
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