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Industrial & Engineering Chemistry Research

Exploring Hybrid Quantum-Classical Algorithms for Multiscale Bioprocess Optimization

Ilse María Hernández-Romero, Shawn M. Gibford, William R. Clements, Christopher J. Savoie, Antonio Flores‐Tlacuahuac, Seyed Soheil Mansouri

Published Apr 21, 2025• 5 citations
Publisher

Abstract

Bioprocess optimization spans multiple scales, from molecular interactions to plant-wide operations, presenting challenges due to nonlinearity, high-dimensionality, and computational intractability. Traditional methods, such as Mixed-Integer Nonlinear Programming (MINLP), often fail to efficiently solve these problems. This work explores Hybrid Quantum-Classical (HQC) algorithms as a promising alternative. By integrating quantum solvers for discrete combinatorial optimization with classical solvers for continuous variable refinement, HQC approaches overcome computational bottlenecks inherent to classical techniques. The application of HQC algorithms enhances efficiency, scalability, and decision-making in bioprocess optimization, particularly in metabolic pathway selection, real-time fermentor control, and plant-wide resource allocation. This perspective outlines the theoretical foundation of HQC methods, their applications across bioprocess scales, and future research directions.

DOI
10.1021/acs.iecr.4c04624

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Bioprocess optimization spans multiple scales, from molecular interactions to plant-wide operations, presenting challenges due to nonlinearity, high-dimensionality, and computational intractability. Traditional methods, such as Mixed-Integer Nonlinear Programming (MINLP), often fail to efficiently solve these problems. This work explores Hybrid Quantum-Classical (HQC) algorithms as a promising alternative. By integrating quantum solvers for discrete combinatorial optimization with classical solvers for continuous variable refinement, HQC approaches overcome computational bottlenecks inherent to classical techniques. The application of HQC algorithms enhances efficiency, scalability, and decision-making in bioprocess optimization, particularly in metabolic pathway selection, real-time fermentor control, and plant-wide resource allocation. This perspective outlines the theoretical foundation of HQC methods, their applications across bioprocess scales, and future research directions.
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Quantum computing promises computational advantages for solving complex optimization problems; however, current Noisy Intermediate-Scale Quantum (NISQ) devices suffer from limited qubit counts, short coherence times, and high error rates. Fully fault-tolerant quantum algorithms remain impractical in the near term, necessitating hybrid approaches that integrate classical and quantum computation. This paper proposes a Hybrid Quantum–Classical Machine Learning Framework (HQC-MLF) for large-scale combinatorial and continuous optimization tasks. The framework leverages parameterized quantum circuits (PQCs) embedded within classical optimization loops, enabling efficient search in high-dimensional spaces while mitigating hardware constraints. We introduce adaptive ansatz selection, classical preconditioning, error mitigation strategies, and resource-aware scheduling to enhance scalability. Experimental evaluations on logistics routing, portfolio optimization, and energy load balancing demonstrate improved convergence speed and solution quality compared to purely classical baselines under realistic NISQ simulations. The proposed architecture provides a practical pathway toward near-term quantum advantage in real-world optimization problems
Quantum computing (QC) holds great promise to open up a new era of computing and has been receiving significant attention recently. To overcome the performance limitations of near-term QC, utilizing the current quantum computers to complement classical techniques for solving real-world problems is of utmost importance. In this paper, we develop QC-based solution strategies that exploit quantum annealing and classical optimization techniques for solving large-scale scheduling problems in manufacturing systems. The applications of the proposed algorithms are illustrated through two case studies in production scheduling. First, we present a hybrid QC-based solution approach for the job-shop scheduling problem. Second, we propose a hybrid QC-based parametric method for the multi-purpose batch scheduling problem with a fractional objective. The proposed hybrid algorithms can tackle optimization problems formulated as mixed-integer linear and mixed-integer fractional programs, respectively, and provide feasibility guarantees. Performance comparison between state-of-the-art exact and heuristic solvers and the proposed QC-based hybrid solution techniques is presented for both job-shop and batch scheduling problems. Unlike conventional classical solution techniques, the proposed hybrid frameworks harness quantum annealing to supplement established deterministic optimization algorithms and demonstrate performance efficiency over standard off-the-shelf optimization solvers.
Efficient production planning is essential in modern manufacturing to improve performance indicators such as lead time and to reduce reliance on human intuition. While mathematical optimization approaches, formulated as job shop scheduling problems, have been applied to automate this process, solving large-scale production planning problems remains computationally demanding. Moreover, many practical scenarios involve conflicting objectives, making traditional scalarization techniques ineffective in finding diverse and useful Pareto-optimal solutions. To address these challenges, we developed a quantum-classical hybrid algorithm that decomposes the problem into two subproblems: resource allocation and task scheduling. Resource allocation is formulated as a quadratic unconstrained binary optimization problem and solved using annealing-based methods that efficiently explore complex solutions. Task scheduling is modeled as a mixed-integer linear programming problem and solved using conventional solvers to satisfy detailed scheduling constraints. We validated the proposed method using benchmark instances based on foundry production scenarios. Experimental results demonstrate that our hybrid approach achieves superior solution quality and computational efficiency compared to traditional monolithic methods. This work offers a promising direction for high-speed, multi-objective scheduling in industrial applications.