mRNA secondary structure prediction using utility-scale quantum computers

Fuente: arXiv
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Autori principali: Alevras, Dimitris, Metkar, Mihir, Yamamoto, Takahiro, Kumar, Vaibhaw, Friedhoff, Triet, Park, Jae-Eun, Takeori, Mitsuharu, LaDue, Mariana, Davis, Wade, Galda, Alexey
Natura: Preprint
Pubblicazione: 2024
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author Alevras, Dimitris
Metkar, Mihir
Yamamoto, Takahiro
Kumar, Vaibhaw
Friedhoff, Triet
Park, Jae-Eun
Takeori, Mitsuharu
LaDue, Mariana
Davis, Wade
Galda, Alexey
author_facet Alevras, Dimitris
Metkar, Mihir
Yamamoto, Takahiro
Kumar, Vaibhaw
Friedhoff, Triet
Park, Jae-Eun
Takeori, Mitsuharu
LaDue, Mariana
Davis, Wade
Galda, Alexey
contents Recent advancements in quantum computing have opened new avenues for tackling long-standing complex combinatorial optimization problems that are intractable for classical computers. Predicting secondary structure of mRNA is one such notoriously difficult problem that can benefit from the ever-increasing maturity of quantum computing technology. Accurate prediction of mRNA secondary structure is critical in designing RNA-based therapeutics as it dictates various steps of an mRNA life cycle, including transcription, translation, and decay. The current generation of quantum computers have reached utility-scale, allowing us to explore relatively large problem sizes. In this paper, we examine the feasibility of solving mRNA secondary structures on a quantum computer with sequence length up to 60 nucleotides representing problems in the qubit range of 10 to 80. We use Conditional Value at Risk (CVaR)-based VQE algorithm to solve the optimization problems, originating from the mRNA structure prediction problem, on the IBM Eagle and Heron quantum processors. To our encouragement, even with ``minimal'' error mitigation and fixed-depth circuits, our hardware runs yield accurate predictions of minimum free energy (MFE) structures that match the results of the classical solver CPLEX. Our results provide sufficient evidence for the viability of solving mRNA structure prediction problems on a quantum computer and motivate continued research in this direction.
format Preprint
id arxiv_https___arxiv_org_abs_2405_20328
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle mRNA secondary structure prediction using utility-scale quantum computers
Alevras, Dimitris
Metkar, Mihir
Yamamoto, Takahiro
Kumar, Vaibhaw
Friedhoff, Triet
Park, Jae-Eun
Takeori, Mitsuharu
LaDue, Mariana
Davis, Wade
Galda, Alexey
Quantum Physics
Recent advancements in quantum computing have opened new avenues for tackling long-standing complex combinatorial optimization problems that are intractable for classical computers. Predicting secondary structure of mRNA is one such notoriously difficult problem that can benefit from the ever-increasing maturity of quantum computing technology. Accurate prediction of mRNA secondary structure is critical in designing RNA-based therapeutics as it dictates various steps of an mRNA life cycle, including transcription, translation, and decay. The current generation of quantum computers have reached utility-scale, allowing us to explore relatively large problem sizes. In this paper, we examine the feasibility of solving mRNA secondary structures on a quantum computer with sequence length up to 60 nucleotides representing problems in the qubit range of 10 to 80. We use Conditional Value at Risk (CVaR)-based VQE algorithm to solve the optimization problems, originating from the mRNA structure prediction problem, on the IBM Eagle and Heron quantum processors. To our encouragement, even with ``minimal'' error mitigation and fixed-depth circuits, our hardware runs yield accurate predictions of minimum free energy (MFE) structures that match the results of the classical solver CPLEX. Our results provide sufficient evidence for the viability of solving mRNA structure prediction problems on a quantum computer and motivate continued research in this direction.
title mRNA secondary structure prediction using utility-scale quantum computers
topic Quantum Physics
url https://arxiv.org/abs/2405.20328