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Practical challenges in simulating quantum systems on classical computers have been widely recognized in the quantum physics and quantum chemistry communities over the past century. Although many approximation methods have been introduced, the complexity of quantum mechanics remains hard to appease. The advent of quantum computation brings new pathways to navigate this challenging and complex landscape. By manipulating quantum states of matter and taking advantage of their unique features such as superposition and entanglement, quantum computers promise to efficiently deliver accurate results for many important problems in quantum chemistry, such as the electronic structure of molecules. In the past two decades, significant advances have been made in developing algorithms and physical hardware for quantum computing, heralding a revolution in simulation of quantum systems. This Review provides an overview of the algorithms and results that are relevant for quantum chemistry. The intended audience is both quantum chemists who seek to learn more about quantum computing and quantum computing researchers who would like to explore applications in quantum chemistry.

Quantum Chemistry in the Age of Quantum Computing.

Applications such as simulating complicated quantum systems or solving large-scale linear algebra problems are very challenging for classical computers due to the extremely high computational cost. Quantum computers promise a solution, although fault-tolerant quantum computers will likely not be available in the near future. Current quantum devices have serious constraints, including limited numbers of qubits and noise processes that limit circuit depth. Variational Quantum Algorithms (VQAs), which use a classical optimizer to train a parametrized quantum circuit, have emerged as a leading strategy to address these constraints. VQAs have now been proposed for essentially all applications that researchers have envisioned for quantum computers, and they appear to the best hope for obtaining quantum advantage. Nevertheless, challenges remain including the trainability, accuracy, and efficiency of VQAs. Here we overview the field of VQAs, discuss strategies to overcome their challenges, and highlight the exciting prospects for using them to obtain quantum advantage.

Variational Quantum Algorithms

Applications such as simulating complicated quantum systems or solving large-scale linear algebra problems are very challenging for classical computers, owing to the extremely high computational cost. Quantum computers promise a solution, although fault-tolerant quantum computers will probably not be available in the near future. Current quantum devices have serious constraints, including limited numbers of qubits and noise processes that limit circuit depth. Variational quantum algorithms (VQAs), which use a classical optimizer to train a parameterized quantum circuit, have emerged as a leading strategy to address these constraints. VQAs have now been proposed for essentially all applications that researchers have envisaged for quantum computers, and they appear to be the best hope for obtaining quantum advantage. Nevertheless, challenges remain, including the trainability, accuracy and efficiency of VQAs. Here we overview the field of VQAs, discuss strategies to overcome their challenges and highlight the exciting prospects for using them to obtain quantum advantage. The advent of commercial quantum devices has ushered in the era of near-term quantum computing. Variational quantum algorithms are promising candidates to make use of these devices for achieving a practical quantum advantage over classical computers.

This paper shows a generic and simple conversion from weak asymmetric and symmetric encryption schemes into an asymmetric encryption scheme which is secure in a very strong sense- indistinguishability against adaptive chosen-ciphertext attacks in the random oracle model. In particular, this conversion can be applied efficiently to an asymmetric encryption scheme that provides a large enough coin space and, for every message, many enough variants of the encryption, like the ElGamal encryption scheme.

Secure integration of asymmetric and symmetric encryption schemes

Compiling quantum algorithms for near-term quantum computers (accounting for connectivity and native gate alphabets) is a major challenge that has received significant attention both by industry and academia. Avoiding the exponential overhead of classical simulation of quantum dynamics will allow compilation of larger algorithms, and a strategy for this is to evaluate an algorithm's cost on a quantum computer. To this end, we propose a variational hybrid quantum-classical algorithm called quantum-assisted quantum compiling (QAQC). In QAQC, we use the overlap between a target unitary $U$ and a trainable unitary $V$ as the cost function to be evaluated on the quantum computer. More precisely, to ensure that QAQC scales well with problem size, our cost involves not only the global overlap ${\rm Tr} (V^\dagger U)$ but also the local overlaps with respect to individual qubits. We introduce novel short-depth quantum circuits to quantify the terms in our cost function, and we prove that our cost cannot be efficiently approximated with a classical algorithm under reasonable complexity assumptions. We present both gradient-free and gradient-based approaches to minimizing this cost. As a demonstration of QAQC, we compile various one-qubit gates on IBM's and Rigetti's quantum computers into their respective native gate alphabets. Furthermore, we successfully simulate QAQC up to a problem size of 9 qubits, and these simulations highlight both the scalability of our cost function as well as the noise resilience of QAQC. Future applications of QAQC include algorithm depth compression, black-box compiling, noise mitigation, and benchmarking.

/pdf/quantum-assisted-quantum-compiling-56w67nr9iv.pdf

Quantum-assisted quantum compiling

Computing quantum state fidelity will be important to verify and characterize states prepared on a quantum computer. In this work, we propose novel lower and upper bounds for the fidelity F(ρ,σ) based on the “truncated fidelity'” F(ρ_m,σ) which is evaluated for a state ρ_m obtained by projecting ρ onto its mm-largest eigenvalues. Our bounds can be refined, i.e., they tighten monotonically with mm. To compute our bounds, we introduce a hybrid quantum-classical algorithm, called Variational Quantum Fidelity Estimation, that involves three steps: (1) variationally diagonalize ρ, (2) compute matrix elements of σ in the eigenbasis of ρ, and (3) combine these matrix elements to compute our bounds. Our algorithm is aimed at the case where σ is arbitrary and ρ is low rank, which we call low-rank fidelity estimation, and we prove that no classical algorithm can efficiently solve this problem under reasonable assumptions. Finally, we demonstrate that our bounds can detect quantum phase transitions and are often tighter than previously known computable bounds for realistic situations.

/pdf/variational-quantum-fidelity-estimation-19dc0mljm9.pdf

Variational Quantum Fidelity Estimation

/pdf/quantum-assisted-quantum-compiling-19ti0y0c3g.pdf

Computing quantum state fidelity will be important to verify and characterize states prepared on a quantum computer. In this work, we propose novel lower and upper bounds for the fidelity $F(\rho,\sigma)$ based on the "truncated fidelity" $F(\rho_m, \sigma)$, which is evaluated for a state $\rho_m$ obtained by projecting $\rho$ onto its $m$-largest eigenvalues. Our bounds can be refined, i.e., they tighten monotonically with $m$. To compute our bounds, we introduce a hybrid quantum-classical algorithm, called Variational Quantum Fidelity Estimation, that involves three steps: (1) variationally diagonalize $\rho$, (2) compute matrix elements of $\sigma$ in the eigenbasis of $\rho$, and (3) combine these matrix elements to compute our bounds. Our algorithm is aimed at the case where $\sigma$ is arbitrary and $\rho$ is low rank, which we call low-rank fidelity estimation, and we prove that a classical algorithm cannot efficiently solve this problem. Finally, we demonstrate that our bounds can detect quantum phase transitions and are often tighter than previously known computable bounds for realistic situations.

/pdf/variational-quantum-fidelity-estimation-4veuskqqcm.pdf

Alexander Poremba

Papers

Quantum-assisted quantum compiling

Variational Quantum Fidelity Estimation

Quantum-assisted quantum compiling

Variational Quantum Fidelity Estimation

Variational Quantum Fidelity Estimation