Quantum Computing
Quantum Computing merges two great scientific revolutions of the 20th century: computer science and quantum physics. Quantum physics is the theoretical basis of the transistor, the laser, and other technologies which enabled the computing revolution. But on the algorithmic level, today's computing machinery still operates on ""classical"" Boolean logic. Quantum Computing is the design of hardware and software that replaces Boolean logic by quantum law at the algorithmic level. For certain computations such as optimization, sampling, search or quantum simulation this promises dramatic speedups. We are particularly interested in applying quantum computing to artificial intelligence and machine learning. This is because many tasks in these areas rely on solving hard optimization problems or performing efficient sampling.
Recent Publications
Analyzing Prospects for Quantum Advantage in Topological Data Analysis
Dominic W. Berry
Yuan Su
Casper Gyurik
Robbie King
Joao Basso
Abhishek Rajput
Nathan Wiebe
Vedran Djunko
PRX Quantum, vol. 5 (2024), pp. 010319
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Lloyd et al. were first to demonstrate the promise of quantum algorithms for computing Betti numbers in persistent homology (a way of characterizing topological features of data sets). Here, we propose, analyze, and optimize an improved quantum algorithm for topological data analysis (TDA) with reduced scaling, including a method for preparing Dicke states based on inequality testing, a more efficient amplitude estimation algorithm using Kaiser windows, and an optimal implementation of eigenvalue projectors based on Chebyshev polynomials. We compile our approach to a fault-tolerant gate set and estimate constant factors in the Toffoli complexity. Our analysis reveals that super-quadratic quantum speedups are only possible for this problem when targeting a multiplicative error approximation and the Betti number grows asymptotically. Further, we propose a dequantization of the quantum TDA algorithm that shows that having exponentially large dimension and Betti number are necessary, but insufficient conditions, for super-polynomial advantage. We then introduce and analyze specific problem examples for which super-polynomial advantages may be achieved, and argue that quantum circuits with tens of billions of Toffoli gates can solve some seemingly classically intractable instances.
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Drug Design on Quantum Computers
Raffaele Santagati
Alán Aspuru-Guzik
Matthias Degroote
Leticia Gonzalez
Elica Kyoseva
Nikolaj Moll
Markus Oppel
Robert Parrish
Michael Streif
Christofer Tautermann
Horst Weiss
Nathan Wiebe
Clemens Utschig-Utschig
Nature Physics (2024)
Preview abstract
The promised industrial applications of quantum computers often rest on their anticipated ability to perform accurate, efficient quantum chemical calculations. Computational drug discovery relies on accurate predictions of how candidate drugs interact with their targets in a cellular environment involving several thousands of atoms at finite temperatures. Although quantum computers are still far from being used as daily tools in the pharmaceutical industry, here we explore the challenges and opportunities of applying quantum computers to drug design. We discuss where these could transform industrial research and identify the substantial further developments needed to reach this goal.
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Quantum computation of stopping power for inertial fusion target design
Dominic Berry
Alina Kononov
Alec White
Joonho Lee
Andrew Baczewski
arXiv preprint (2023)
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Stopping power is the rate at which a material absorbs the kinetic energy of a charged particle passing through it - one of many properties needed over a wide range of thermodynamic conditions in modeling inertial fusion implosions. First-principles stopping calculations are classically challenging because they involve the dynamics of large electronic systems far from equilibrium, with accuracies that are particularly difficult to constrain and assess in the warm-dense conditions preceding ignition. Here, we describe a protocol for using a fault-tolerant quantum computer to calculate stopping power from a first-quantized representation of the electrons and projectile. Our approach builds upon the electronic structure block encodings of Su et al. [PRX Quantum 2, 040332 2021], adapting and optimizing those algorithms to estimate observables of interest from the non-Born-Oppenheimer dynamics of multiple particle species at finite temperature. We also work out the constant factors associated with a novel implementation of a high order Trotter approach to simulating a grid representation of these systems. Ultimately, we report logical qubit requirements and leading-order Toffoli costs for computing the stopping power of various projectile/target combinations relevant to interpreting and designing inertial fusion experiments. We estimate that scientifically interesting and classically intractable stopping power calculations can be quantum simulated with
roughly the same number of logical qubits and about one hundred times more Toffoli gates than is required for state-of-the-art quantum simulations of industrially relevant molecules such as FeMoCo or P450.
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Quadratic programming over the (special) orthogonal group encompasses a broad class of optimization problems such as group synchronization, point-set registration, and simultaneous localization and mapping. Such problems are instances of the little noncommutative Grothendieck problem (LNCG), a natural generalization of quadratic combinatorial optimization where, instead of binary decision variables, one optimizes over orthogonal matrices. In this work, we establish an embedding of this class of LNCG problems over the orthogonal group onto a quantum Hamiltonian. This embedding is accomplished by identifying orthogonal matrices with their double cover (Pin and Spin group) elements, which we represent as quantum states. We connect this construction to the theory of free fermions, which provides a physical interpretation of the derived LNCG Hamiltonian as a two-body interacting-fermion model due to the quadratic nature of the problem. Determining extremal states of this Hamiltonian provides an outer approximation to the original problem, analogous to classical relaxations of the problem via semidefinite programming. Furthermore, we show that when considering optimization over the special orthogonal group, our quantum relaxation naturally obeys additional, powerful constraints based on the convex hull of rotation matrices. The classical size of this convex-hull representation is exponential in matrix dimension, whereas the quantum representation requires only a linear number of qubits. Finally, to project the relaxed solution into the feasible space, we employ rounding procedures which return orthogonal matrices from appropriate measurements of the quantum state. Through numerical experiments we provide evidence that this quantum relaxation can produce high-quality approximations.
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Quantum Error Mitigation
Zhenyu Cai
Simon Benjamin
Suguru Endo
William J. Huggins
Ying Li
Thomas E O'Brien
Reviews of Modern Physics, vol. 95 (2023), pp. 045005
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For quantum computers to successfully solve real-world problems, it is necessary to tackle the challenge of noise: the errors that occur in elementary physical components due to unwanted or imperfect interactions. The theory of quantum fault tolerance can provide an answer in the long term, but in the coming era of noisy intermediate-scale quantum machines one must seek to mitigate errors rather than completely eliminate them. This review surveys the diverse methods that have been proposed for quantum error mitigation, assesses their in-principle efficacy, and describes the hardware demonstrations achieved to date. Commonalities and limitations among the methods are identified, while mention is made of how mitigation methods can be chosen according to the primary type of noise present, including algorithmic errors. Open problems in the field are identified, and the prospects for realizing mitigation-based devices that can deliver a quantum advantage with an impact on science and business are discussed.
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We demonstrate a 3-port Josephson parametric circulator, matched to 50 Ohm using second order Chebyshev networks. The device notably operates with two of its signal ports at the same frequency and uses only two out-of-phase pumps at a single frequency. As a consequence, When operated as an isolator it does not require phase coherence between the pumps and the signal, simplifying the requirements for its integration into standard dispersive qubit readout setups. The device utilizes parametric couplers based on a balanced bridge of rf-SQUID arrays, which offer purely parametric coupling and high dynamic range. We characterize the device by measuring its full 3x3 S-matrix as a function of frequency the relative phase between the two pumps. We find up to 15 dB nonreciprocity over a 200 MHz signal band, port match better than 10 dB, low insertion loss of 0.6 dB, and saturation power exceeding -80 dBm.
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