RESEARCH PAPERS

By Prakash Verma, Lee Huntington, Marc Coons, Yukio Kawashima, Takeshi Yamazaki, & Arman Zaribafiyan

The method of increments and frozen natural orbital (MI-FNO) framework is introduced to help expedite the application of noisy, intermediate-scale quantum (NISQ) devices for quantum chemistry simulations. The MI-FNO framework provides a systematic reduction of the occupied and virtual orbital spaces for quantum chemistry simulations. The correlation energies of the resulting increments from the MI-FNO reduction can then be solved by various algorithms, including quantum algorithms such as the phase estimation algorithm and the variational quantum eigensolver (VQE)…

By Shunji Matsuura, Samantha Buck, Valentin Senicourt, & Arman Zaribafiyan

Eigenstate preparation is ubiquitous in quantum computing, and a standard approach for generating the lowest-energy states of a given system is by employing adiabatic state preparation (ASP). In the present work, we investigate a variational method for determining the optimal scheduling procedure within the context of ASP. In the absence of quantum error correction, running a quantum device for any meaningful amount of time causes a system to become susceptible to the loss of relevant information…

By Yukio Kawashima, Marc P. Coons, Yunseong Nam, Erika Lloyd, Shunji Matsuura, Alejandro J. Garza, Sonika Johri, Lee Huntington, Valentin Senicourt, Andrii O. Maksymov, Jason H. V. Nguyen, Jungsang Kim, Nima Alidoust, Arman Zaribafiyan, & Takeshi Yamazaki

Quantum computers have the potential to perform accurate and efficient electronic structure calculations, enabling the simulation of properties of materials. However, today’s noisy, intermediate-scale quantum (NISQ) devices have a limited number of qubits and gate operations due to the presence of errors. Here, we propose a systematically improvable end-to-end pipeline to alleviate these limitations…

By Elisabetta Valiante, Maritza Hernandez, Amin Barzegar, & Helmut G. Katzgraber

Recently, there has been considerable interest in solving optimization problems by mapping these onto a binary representation, sparked mostly by the use of quantum annealing machines. Such binary representation is reminiscent of a discrete physical two-state system, such as the Ising model. As such, physics-inspired techniques—commonly used in fundamental physics studies—are ideally suited to solve optimization problems in a binary format…

By Seyed Shakib Vedaie, Moslem Noori, Jaspreet S. Oberoi, Barry C. Sanders, & Ehsan Zahedinejad

Kernel methods play an important role in machine learning applications due to their conceptual simplicity and superior performance on numerous machine learning tasks. Expressivity of a machine learning model, referring to the ability of the model to approximate complex functions, has a significant influence on its performance in these tasks. One approach to enhancing the expressivity of kernel machines is to combine multiple individual kernels to arrive at a more expressive combined kernel…

By Khaled A. Helal Kelany, Nikitas Dimopoulos, Clemens P. J. Adolphs, Bardia Barabadi, & Amirali Baniasadi

The focus of this work is to explore the use of quantum annealing solvers for the problem of phase unwrapping of synthetic aperture radar (SAR) images. Although solutions to this problem exist based on network programming, these techniques do not scale well to larger-sized images. Our approach involves formulating the problem as a quadratic unconstrained binary optimization (QUBO) problem, which can be solved using a quantum annealer…

By Kyle Mills, Pooya Ronagh, & Isaac Tamblyn

Reinforcement learning (RL) has become a proven method for optimizing a procedure for which success has been defined, but the specific actions needed to achieve it have not. Using a method we call “controlled online optimization learning” (COOL), we apply the so-called “black box” method of RL to simulated annealing (SA), demonstrating that an RL agent based on proximal policy optimization can, through experience alone, arrive at a temperature schedule that surpasses the performance of standard heuristic temperature schedules for two classes of Hamiltonians…

By Pooya Ronagh

We present a general quantum algorithm for solving finite-horizon dynamic programming problems. Up to polylogarithmic factors, our algorithm provides a quadratic quantum advantage in terms of the number of states of a given dynamic programming problem. This speedup comes at the expense of the appearance of other polynomial factors representative of the number of actions of the dynamic programming problem, the maximum value of the instantaneous reward, and the time horizon of the problem…