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Geophysics

Quantum computer-assisted global optimization in geophysics illustrated with stack-power maximization for refraction residual statics estimation

M. Dukalski, Diego Rovetta, Stan van der Linde, Matthias Möller, Niels M. P. Neumann, Frank Phillipson

Published Nov 22, 2022• 15 citations
Publisher

Abstract

ABSTRACT Much of recent progress in geophysics can be attributed to the adaptation of heterogeneous high-performance computing architectures. It is projected that the next major leap in many areas of science, and hence hopefully in geophysics too, will be due to the emergence of quantum computers. Finding a right combination of hardware, algorithms, and a use case, however, proves to be a very challenging task — especially when looking for a relevant application that scales efficiently on a quantum computer and is difficult to solve using classical means. We find that maximizing stack power for residual statics correction, an NP-hard combinatorial optimization problem, appears to naturally fit a particular type of quantum computing known as quantum annealing. We express the underlying objective function as a quadratic unconstrained binary optimization, which is a quantum-native formulation of the problem. We choose some solution space and define a proper encoding to translate the problem variables into qubit states. We find that these choices can have a significant impact on the maximum problem size that can fit on the quantum annealer and on the fidelity of the final result. To improve the latter, we embed the quantum optimization step in a hybrid classical-quantum workflow, which aims to increase the frequency of finding the global, rather than some local, optimum of the objective function. Finally, we find that a generic, black-box, hybrid classical-quantum solver also could be used to solve stack-power maximization problems proximal to industrial relevance and capable of surpassing deterministic solvers prone to cycle skipping. A custom-built workflow capable of solving larger problems with an even higher robustness and greater control of the user appears to be within reach in the very near future.

DOI
10.1190/geo2022-0253.1

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ABSTRACT Much of recent progress in geophysics can be attributed to the adaptation of heterogeneous high-performance computing architectures. It is projected that the next major leap in many areas of science, and hence hopefully in geophysics too, will be due to the emergence of quantum computers. Finding a right combination of hardware, algorithms, and a use case, however, proves to be a very challenging task — especially when looking for a relevant application that scales efficiently on a quantum computer and is difficult to solve using classical means. We find that maximizing stack power for residual statics correction, an NP-hard combinatorial optimization problem, appears to naturally fit a particular type of quantum computing known as quantum annealing. We express the underlying objective function as a quadratic unconstrained binary optimization, which is a quantum-native formulation of the problem. We choose some solution space and define a proper encoding to translate the problem variables into qubit states. We find that these choices can have a significant impact on the maximum problem size that can fit on the quantum annealer and on the fidelity of the final result. To improve the latter, we embed the quantum optimization step in a hybrid classical-quantum workflow, which aims to increase the frequency of finding the global, rather than some local, optimum of the objective function. Finally, we find that a generic, black-box, hybrid classical-quantum solver also could be used to solve stack-power maximization problems proximal to industrial relevance and capable of surpassing deterministic solvers prone to cycle skipping. A custom-built workflow capable of solving larger problems with an even higher robustness and greater control of the user appears to be within reach in the very near future.
Summary Recent progress in geophysics can be attributed to developments in heterogeneous HPC architectures, with one of the next major leaps being forecasted to be due to quantum computers. It is, however, very difficult to find the right combination of hardware, algorithms and a use-case. This is especially true for applications which have to be simultaneously: relevant and operating at scales where problems become difficult to solve using classical means. Maximizing stack-power for improved near surface characterization and velocity model building, an NP-hard combinatorial optimization problem, appears to naturally fit a particular type of quantum computing known as quantum annealing. We present the quantum-native formulation of this problem. Furthermore, in order to improve the probability of success we embed it in a hybrid classical-quantum workflow. We present the results on controlled experiments run using a 5000-qubit machine and discuss the impact of different classical to quantum problem re-formulations.
Abstract In an era of customized hardware designed to tackle specific geophysical challenges, recent advancements in quantum computing could offer promising solutions to complex global optimization problems using hybrid quantum-classical solvers. We introduce an application of seismic data processing where the stack power of the traces is maximized through quantum annealing for surface-consistent phase and amplitude refraction residual calculations. Refraction residual corrections are a necessary step in the processing workflow to obtain a detailed characterization of the subsurface. The problem of estimating accurate refraction residuals can be solved in a framework where relative time shifts and amplitude distortions of seismic traces are evaluated in multiple common-midpoint-offset bins through computerized cross-correlation operations. The results are then used to build a system of linear equations that is simultaneously inverted for surface-consistent shot and receiver phase and amplitude variations. We rewrote the problem by substituting the cross-correlation operations with global optimization performed by a “black-box” hybrid solver, which uses a physical quantum-annealing machine. With the projected hardware and technology improvements of the near future, the new approach is expected to be more accurate than the current solution because it prevents the phenomenon of the so-called cycle skips in the cross-correlation process. The method has been benchmarked with a classical global optimization algorithm and tested with promising results on synthetics of industrial size and relevance. A first attempt of application on field data has also been carried out. Quantum-annealing-based global optimization can be applied to other disciplines such as material science, logistics, and finance.
Summary Quantum annealing emerged as a very promising tool for solving combinatorial optimization problems. In particular, residual refraction statics estimation has been identified to be the first potential industrial use case of quantum annealing in geoscience. The currently available quantum annealers have still too small computing capabilities to effectively and independently estimate residual statics on problems of industrial scale. On the other hand, a quantum annealer-assisted hybrid solver, combining classical and quantum information processing could already be a viable tool for this purpose. Here we show the application of such a hybrid solver to the residual refraction statics estimation through stack-power maximization on a significant subset of the SEAM Arid model dataset, comprising of over two thousand gathers. We benchmark our approach against a dedicated deterministic classical solver, showing that in a fixed amount of time per gather, the quantum annealer-assisted solution can in many instances outperform the standard approach.
Summary In this work we closely examine the overlap between (1) the computationally challenging problems in geophysical applications in the upstream business and (2) the capabilities of quantum annealing (QA) quantum processing units (QPUs). We analyze the strengths and limitations of the latter and we explain how and why QPUs need to be assisted with CPUs and GPUs to solve combinatorial optimization problems at industrial scale. We illustrate the discussion with three potential use cases: stack power maximization for residual statics estimation, “ray tracing” and compressive sensing.
Abstract ABSTRACT Quantum computing harnesses the principles of quantum mechanics to solve problems that are intractable for classical computers. Quantum annealing, a specialized approach within quantum computing, is particularly effective for optimization tasks, as it leverages quantum tunneling to escape local minima and efficiently explore complex energy landscapes. In geosciences, many problems are framed as high-dimensional optimization problems, including seismic inversion, which aims to estimate subsurface impedances from seismic data for accurate geological interpretation and resource exploration. A novel application of quantum computing for seismic inversion is presented, marking the first instance of inverting seismic data to estimate both P-wave and S-wave impedances using a quantum annealer. Building upon the prior work, which demonstrated the estimation of acoustic impedances from post-stack data using a two-step framework, we propose an enhanced workflow capable of inverting both post-stack and pre-stack seismic data in a single step. This advancement significantly reduces the number of qubits per model parameter (from 20 to 5) while improving computational speed (from 20 seconds to 6.3 seconds). The seismic inversion is implemented using the D-Wave Leap hybrid solver, achieving impedance estimation within 4-9 seconds, with the quantum processing unit (QPU) contributing just 0.043-0.085 seconds. Comparative analysis with simulated annealing reveals that quantum annealing produces impedance models closely matching true values in a single epoch, whereas simulated annealing requires 10 epochs for improved accuracy. These findings underscore the transformative potential of quantum computing for real-time, high-precision seismic inversion, marking a crucial step toward fully quantum-driven geophysical solutions.
The convergence of machine learning (ML) and quantum computing is quickly becoming a game-changing new frontier in computational science. The most intriguing area of overlap may be quantum optimization, which seeks to reduce the exponentially increasing complexity and computational cost of ML algorithms. As they grow larger and more complicated, traditional optimization methods, particularly in high-dimensional and non-convex space, will inevitably hit performance limits. Quantum optimization is the whole new paradigm that leverages quantum mechanical effects like superposition, entanglement, and tunnelling to explore solution spaces more efficiently. The chapter outlines the theory, practice, and potential of hybrid quantum-classical optimization algorithms for machine learning. The most brilliant research direction in the current NISQ (noisy intermediate-scale quantum) era is mixed systems leveraging classical computing capability augmented by quantum capacity. In such designs, computationally intensive subroutines like optimization for global optima or escape from local minima are left to quantum processors and data preprocessing, iterative refinement, and model testing are performed by classical processors. We start by defining the fundamental principles of quantum computing and acquainting readers with the fundamentals like qubits, quantum gates, and quantum circuits. These are the building blocks for quantum algorithms, which hopefully can be utilized for optimization, for example, the QAOA (quantum approximate optimization algorithm), the VQE (variational quantum Eigensolver), and quantum annealing. They all build to optimize the problems in some way differently: QAOA through parameterized quantum circuits, VQE through approximations of ground states of the Hamiltonians, and quantum annealing through quantum evolution to low-energy solutions. We then form a loop between these quantum algorithms and regular machine learning tasks. Optimization impacts virtually all ML phases, from training neural networks, where one reduces loss functions; feature selection, where one aims to discover the most relevant subset of input variables; and hyperparameter optimization, which often involves expensive search procedures over extremely large combinatorial spaces. Quantum optimization techniques can therefore, in principle, accelerate such procedures through computational complexity reduction and enhancing solutions over challenging landscapes. Realistic simulations and case studies emphasize the degree to which hybrid quantum-classical algorithms have been employed in solving ML problems, that is, QSVMs, quantum-enhanced clustering, and quantum reinforcement learning. Despite their experimental nature, these applications already show encouraging results in terms of improved performance metrics as well as reduction in time-to-solution compared to classical-only solutions. Notwithstanding that, this new field is not bereft of real challenges. Quantum hardware suffers from hard limits on qubit fidelity, decoherence, and scalability in the current times. Furthermore, quantum circuit integration into broad ML pipelines requires novel architectures and software platforms. As a counter to those issues, this chapter surveys recent advances in quantum programming languages, simulators, and hybrid platforms like PennyLane, Qiskit, and TensorFlow Quantum. We conclude by looking to the future possibility that quantum optimization will revolutionize the machine learning landscape. As hardware improves and algorithmic complexity increases, the possibility of quantum-powered learning systems solving hard problems becomes increasingly accessible. From speeding up deep network training to enabling new types of unsupervised learning, quantum optimization holds the potential to recast computational tractability in machine learning. This chapter is an all-encompassing introduction and state-of-the-art work for students, researchers, and practitioners interested in using quantum optimization for practical ML applications. It sets the foundation for understanding how to pursue hybrid approaches (how they may be applied today in the real world and bracing oneself for disruption in the future).