Bryan O'Gorman

National Aeronautics and Space Administration

In this work, we report, for the first time, an implementation of fermionic auxiliary-field quantum Monte Carlo (AFQMC) using matrix product state (MPS) trial wavefunctions, dubbed MPS-AFQMC. Calculating overlaps between an MPS trial and arbitrary Slater determinants up to a multiplicative error, a crucial subroutine in MPS-AFQMC, is proven to be #...

It is crucial to reduce the resources required to run quantum algorithms and simulate physical systems on quantum computers due to coherence time limitations. With regards to Hamiltonian simulation, a significant effort has focused on building efficient algorithms using various factorizations and truncations, typically derived from the Hamiltonian...

A recent preprint by Mazzola and Carleo numerically investigates exponential challenges that can arise for the QC-QMC algorithm introduced in our work, "Unbiasing fermionic quantum Monte Carlo with a quantum computer." As discussed in our original paper, we agree with this general concern. However, here we provide further details and numerics to em...

Finding the ground-state energy of electrons subject to an external electric field is a fundamental problem in computational chemistry. While the theory of QMA-completeness has been instrumental in understanding the complexity of finding ground states in many-body quantum systems, prior to this work it has been unknown whether or not the special fo...

We initiate the study of parameterized complexity of $\textsf{QMA}$ problems in terms of the number of non-Clifford gates in the problem description. We show that for the problem of parameterized quantum circuit satisfiability, there exists a classical algorithm solving the problem with a runtime scaling exponentially in the number of non-Clifford...

Constraint programming (CP) is a paradigm used to model and solve constraint satisfaction and combinatorial optimization problems. In CP, problems are modeled with constraints that describe acceptable solutions and solved with backtracking tree search augmented with logical inference. In this paper, we show how quantum algorithms can accelerate CP,...

An effective approach to solving complex problems is to decompose them and integrate dedicated solvers for those subproblems. We introduce a hybrid decomposition that incorporates: (1) a quantum annealer that samples from the configuration space of a relaxed problem to obtain strong candidate solutions, and (2) a classical processor that maintains...

Many-electron problems pose some of the greatest challenges in computational science, with important applications across many fields of modern science. Fermionic quantum Monte Carlo (QMC) methods are among the most powerful approaches to these problems. However, they can be severely biased when controlling the fermionic sign problem using constrain...

Finding the ground state energy of electrons subject to an external electric field is a fundamental problem in computational chemistry. We prove that this electronic-structure problem, when restricted to a fixed single-particle basis and fixed number of electrons, is QMA-complete. Schuch and Verstraete have shown hardness for the electronic-structu...

Constraint programming (CP) is a paradigm used to model and solve constraint satisfaction and combinatorial optimization problems. In CP, problems are modeled with constraints that describe acceptable solutions and solved with backtracking tree search augmented with logical inference. In this paper, we show how quantum algorithms can accelerate CP,...

Faster algorithms for combinatorial optimization could prove transformative for diverse areas such as logistics, finance and machine learning. Accordingly, the possibility of quantum enhanced optimization has driven much interest in quantum technologies. Here we demonstrate the application of the Google Sycamore superconducting qubit quantum proces...

All-electron electronic structure methods based on the linear combination of atomic orbitals method with Gaussian basis set discretization offer a well established, compact representation that forms much of the foundation of modern correlated quantum chemistry calculations—on both classical and quantum computers. Despite their ability to describe e...

Motivated by recent advances in quantum algorithms and gate-model quantum computation, we introduce quantum-accelerated filtering algorithms for global constraints in constraint programming. We adapt recent work in quantum algorithms for graph problems and identify quantum subroutines that accelerate the main domain consistency algorithms for the a...

Variational algorithms for strongly correlated chemical and materials systems are one of the most promising applications of near-term quantum computers. We present an extension to the variational quantum eigensolver that approximates the ground state of a system by solving a generalized eigenvalue problem in a subspace spanned by a collection of pa...

Quantum simulation of chemistry and materials is predicted to be an important application for both near-term and fault-tolerant quantum devices. However, at present, developing and studying algorithms for these problems can be difficult due to the prohibitive amount of domain knowledge required in both the area of chemistry and quantum algorithms....

We demonstrate the application of the Google Sycamore superconducting qubit quantum processor to discrete optimization problems with the quantum approximate optimization algorithm (QAOA). We execute the QAOA across a variety of problem sizes and circuit depths for random instances of the Sherrington-Kirkpatrick model and 3-regular MaxCut, both high...

The problem of compiling general quantum algorithms for implementation on near-term quantum processors has been introduced to the AI community. Previous work demonstrated that temporal planning is an attractive approach for part of this compilationtask, specifically, the routing of circuits that implement the Quantum Alternating Operator Ansatz (QA...

Variational algorithms for strongly correlated chemical and materials systems are one of the most promising applications of near-term quantum computers. We present an extension to the variational quantum eigensolver that approximates the ground state of a system by solving a generalized eigenvalue problem in a subspace spanned by a collection of pa...

For the last few years, the NASA Quantum Artificial Intelligence Laboratory (QuAIL) has been performing research to assess the potential impact of quantum computers on challenging computational problems relevant to future NASA missions. A key aspect of this research is devising methods to most effectively utilize emerging quantum computing hardware...

Methods for electronic structure based on Gaussian and molecular orbital discretizations offer a well established, compact representation that forms much of the foundation of correlated quantum chemistry calculations on both classical and quantum computers. Despite their ability to describe essential physics with relatively few basis functions, the...

We present a conceptually clear and algorithmically useful framework for parameterizing the costs of tensor network contraction. Our framework is completely general, applying to tensor networks with arbitrary bond dimensions, open legs, and hyperedges. The fundamental objects of our framework are rooted and unrooted contraction trees, which represe...

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 ro...

For the last few years, the NASA Quantum Artificial Intelligence Laboratory (QuAIL) has been performing research to assess the potential impact of quantum computers on challenging computational problems relevant to future NASA missions. A key aspect of this research is devising methods to most effectively utilize emerging quantum computing hardware...

We present the mapping of a class of simplified air traffic management (ATM) problems (strategic conflict resolution) to quadratic unconstrained boolean optimization (QUBO) problems. The mapping is performed through an original representation of the conflict-resolution problem in terms of a conflict graph, where nodes of the graph represent flights...

We present the mapping of a class of simplified air traffic management (ATM) problems (strategic conflict resolution) to quadratic unconstrained boolean optimization (QUBO) problems. The mapping is performed through an original representation of the conflict-resolution problem in terms of a conflict graph, where nodes of the graph represent flights...

Challenging computational problems arising in the practical world are frequently tackled by heuristic algorithms. Small universal quantum computers will emerge in the next year or two, enabling a substantial broadening of the types of quantum heuristics that can be investigated beyond quantum annealing. The immediate question is: what experiments s...

The next few years will be exciting as prototype universal quantum processors emerge, enabling implementation of a wider variety of algorithms. Of particular interest are quantum heuristics, which require experimentation on quantum hardware for their evaluation, and which have the potential to significantly expand the breadth of quantum computing a...

The next few years will be exciting as prototype universal quantum processors emerge, enabling implementation of a wider variety of algorithms. Of particular interest are quantum heuristics, which require experimentation on quantum hardware for their evaluation, and which have the potential to significantly expand the breadth of quantum computing a...

There have been multiple attempts to demonstrate that quantum annealing and, in particular, quantum annealing on quantum annealing machines, has the potential to outperform current classical optimization algorithms implemented on CMOS technologies. The benchmarking of these devices has been controversial. Initially, random spin-glass problems were...

There have been multiple attempts to demonstrate that quantum annealing and, in particular, quantum annealing on quantum annealing machines, has the potential to outperform current classical optimization algorithms implemented on CMOS technologies. The benchmarking of these devices has been controversial. Initially, random spin-glass problems were...

We investigate solvable-unsolvable phase transitions in the single-machine scheduling (SMS) problem. SMS is at the core of practical problems such as telescope and satellite scheduling and manufacturing. To study the solvability phase transition, we construct a variety of instance families parameterized by the set of the processing times, the windo...

In the last couple of decades, the world has seen several stunning instances of quantum algorithms that provably outperform the best classical algorithms. For most problems, however, it is currently unknown whether quantum algorithms can provide an advantage, and if so by how much, or how to design quantum algorithms that realize such advantages. M...

In the last couple of decades, the world has seen several stunning instances of quantum algorithms that provably outperform the best classical algorithms. For most problems, however, it is currently unknown whether quantum algorithms can provide an advantage, and if so by how much, or how to design quantum algorithms that realize such advantages. M...

One approach to solving planning problems is to compile them to other problems for which powerful off-the-shelf solvers are available; common targets include SAT, CSP, and MILP. Recently, a novel optimization technique has become available: quantum annealing (QA). QA takes as input problem instances of quadratic unconstrained binary optimization (Q...

Calibration of quantum computing technologies is essential to the effective utilization of their quantum resources. Specifically, the performance of quantum annealers is likely to be significantly impaired by noise in their programmable parameters, effectively misspecification of the computational problem to be solved, often resulting in spurious s...

We introduce a method for the problem of learning the structure of a Bayesian network using the quantum adiabatic algorithm. We do so by introducing an efficient reformulation of a standard posterior-probability scoring function on graphs as a pseudo-Boolean function, which is equivalent to a system of 2-body Ising spins, as well as suitable penalt...

We report on a case study in programming an early quantum annealer to attack optimization problems related to operational planning. While a number of studies have looked at the performance of quantum annealers on problems native to their architecture, and others have examined performance of select problems stemming from an application area, ours is...

The Sherrington-Kirkpatrick model with random $\pm1$ couplings is programmed on the D-Wave Two annealer featuring 509 qubits interacting on a Chimera-type graph. The performance of the optimizer compares and correlates to simulated annealing. When considering the effect of the static noise, which degrades the performance of the annealer, one can es...

We develop a resource efficient method by which the ground-state of an arbitrary k-local, optimization Hamiltonian can be encoded as the ground-state of a (k-1)-local optimization Hamiltonian. This result is important because adiabatic quantum algorithms are often most easily formulated using many-body interactions but experimentally available inte...

Optimization problems associated with the interaction of linked particles are at the heart of polymer science, protein folding and other important problems in the physical sciences. In this review we explain how to recast these problems as constraint satisfaction problems such as linear programming, maximum satisfiability, and pseudo-boolean optimi...

Small signal recovery based on phase sensitive detection techniques are key to many laboratory measurements. Ideally more students in the science classroom should be exposed to the utility of this so-called `lock-in' detection method, however commercial instruments that perform this are generally expensive and not student friendly. In this talk I w...

We describe and solve a quantum optics models for multiphoton interrogation of an electromagnetically induced transparency (EIT) resonance. Multiphoton EIT, like its well studied Lambda-system EIT progenitor, is a generalization of the N-resonance process recently studied for atomic time keeping. The solution of these models allows a preliminary de...