arXiv subjects

Vaibhaw Kumar

Publications and source records attributed to Vaibhaw Kumar.

10 recordsLinked to original sources

arXiv2026

Towards Natural Gas Contract Selection via Quantum-Guided Independent Set Reduction

Selecting mutually compatible natural gas transportation contracts is a practically important optimization task in which operators must choose from many candidate agreements subject to temporal, infrastructural, and flow-related constraints. As the number of candidates grows, the resulting search space becomes difficult to explore exhaustively. We study a pairwise abstraction of this task, formulated as a Maximum Clique problem on a contract-compatibility graph, or equivalently as a Maximum Independent Set (MIS) problem on the complement graph. Building on recent work, this paper studies a quantum-classical framework for solving large-scale MIS instances within the limitations of noisy quantum hardware. The approach combines iterative classical graph reduction with quantum-guided optimization to progressively simplify the search space while maintaining high solution quality. This enables large candidate spaces to be reduced to smaller subproblems that are more suitable for execution on current quantum computers. We evaluate the approach on fifteen benchmark instances from the Quantum Optimization Benchmarking Library (QOBLIB), obtaining an average approximation ratio of 0.996 and recovering optimal solutions for fourteen instances, including graphs with up to 186 vertices. We further evaluate the algorithm on six synthetic pairwise contract-compatibility graphs containing up to 900 contracts, where the proposed method achieves an average approximation ratio of 0.989 and obtains optimal solutions in four cases. These experiments demonstrate the ability of the hybrid MIS solver to reduce industrially motivated graphs. The pairwise abstraction serves as the first step of a two-stage screening procedure that narrows the candidate contracts to a smaller set of mutually compatible ones, which can then be verified against pipeline-capacity constraints.

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arXiv2026

Pauli Correlation Encoding for mRNA Secondary Structure Prediction: Problem-Aware Decoding for Dense-Constraint QUBOs

Pauli Correlation Encoding (PCE) compresses $m$ binary variables onto $n=O(m^{1/k})$ qubits by mapping them to commuting Pauli correlators, but its continuous expectation values must be decoded into feasible binary solutions, a challenge for dense-constraint problems. We apply PCE to mRNA secondary-structure prediction, formulated as a densely constrained QUBO, and train with a QUBO-space sigmoid loss thatpreserves the QUBO penalty structure. For decoding, we introduce the Problem-Aware Guided Decoder (PAGD), which scores candidate variable commitments by combining marginal QUBO energy reduction with a trained expectation-value prior and constraint-aware feasibility pruning. On six benchmark mRNA sequences (30-60 nt, 50-240 variables, 7-14 qubits), PAGD with 100 restarts achieves 75-100 percent near-optimal recovery, defined as $P(\mathrm{gap}<1\%)$, for sequences up to 152 variables, compared with 0-30 percent for a sign-rounding plus local-search baseline. On the 240-variable instance, trained PAGD reaches 50 percent $P(\mathrm{gap}<1\%)$ at 200 restarts, outperforming untrained-circuit and random-expectation-value controls. Hardware-scale tests extend the pipeline to three 102-105 nt instances (694-745 variables, 172,000-193,000 pair constraints, 23 qubits) on IBM Heron processors. The circuits transpile SWAP-free into 480 native two-qubit gates at depth 256, and PAGD decoded gaps on QPU runs match or beat simulator means for all three instances, including exact CPLEX-optimum recovery for one sequence. These results show that PCE-trained priors can survive deployment to noisy superconducting hardware at biologically relevant scale.

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arXiv2026

A Quantum Approach to Stochastic Optimization in Insurance Underwriting

The presence of stochastic elements in combinatorial optimization problems makes them particularly challenging, as such problems quickly become intractable for classical computers even at relatively small sizes. In this work, we propose a novel quantum-classical hybrid scheme for solving a class of stochastic optimization problems known as chance-constrained knapsack problems, in which item weights follow probability distributions and constraints may be violated within a specified risk tolerance. Our method employs knapsack-specific QAOA-based circuits to generate samples which, when combined with a new self-consistent classical recovery scheme introduced in this work, produce high-quality solutions. Experiments carried out on IBM Heron processors, using circuits with depths up to 177 and comprising 3443 gates acting on as many as 150 qubits, yield solutions that indicate performance comparable to classical optimization schemes. The proposed quantum-classical scheme paves the way to tackling such problems, with the potential to outperform approaches that rely solely on classical computation.

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arXiv2025

Portfolio construction using a sampling-based variational quantum scheme

The efficient and effective construction of portfolios that adhere to real-world constraints is a challenging optimization task in finance. We investigate a concrete representation of the problem with a focus on design proposals of an Exchange Traded Fund. We evaluate the sampling-based CVaR Variational Quantum Algorithm (VQA), combined with a local-search post-processing, for solving problem instances that beyond a certain size become classically hard. We also propose a problem formulation that is suited for sampling-based VQA. Our utility-scale experiments on IBM Heron processors involve 109 qubits and up to 4200 gates, achieving a relative solution error of 0.49%. Results indicate that a combined quantum-classical workflow achieves better accuracy compared to purely classical local search, and that hard-to-simulate quantum circuits may lead to better convergence than simpler circuits. Our work paves the path to further explore portfolio construction with quantum computers.

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arXiv2025

Co-optimization of codon usage and mRNA secondary structure using quantum computing

Co-optimizing mRNA sequences for both codon optimality and secondary structure is crucial for producing stable and efficacious mRNA therapeutics. Codon optimization, which adjusts nucleotide sequences to enhance translational efficiency, inherently influences mRNA secondary structure - a key determinant of molecular stability both in-vial and in-cell. Because both properties are governed by the same underlying sequence, optimizing one directly impacts the other. To address this interdependence, we introduce a novel variational framework that simultaneously optimizes codon usage and secondary structure. Our method employs a dual-objective function that balances the codon adaptation index (CAI) and minimum free energy (MFE), incorporating variational parameters for codon selection. Leveraging a hybrid quantum-classical computational strategy and building on prior advancements in quantum algorithms for secondary structure prediction, we effectively navigate this complex optimization space. We demonstrate the feasibility of executing this end-to-end workflow on real quantum hardware, using IBM's 127-qubit Eagle processor. We validate our approach through both simulations and quantum hardware experiments on sequences of up to 30 nucleotides. These results highlight the potential of our framework to accelerate the design of optimal mRNA constructs for therapeutic and research applications.

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arXiv2025

Towards secondary structure prediction of longer mRNA sequences using a quantum-centric optimization scheme

Accurate prediction of mRNA secondary structure is critical for understanding gene expression, translation efficiency, and advancing mRNA-based therapeutics. However, the combinatorial complexity of possible foldings, especially in long sequences, poses significant computational challenges for classical algorithms. In this work, we propose a scalable, quantum-centric optimization framework that integrates quantum sampling with classical post-processing to tackle this problem. Building on a Quadratic Unconstrained Binary Optimization (QUBO) formulation of the mRNA folding task, we develop two complementary workflows: a Conditional Value at Risk (CVaR)-based variational quantum algorithm enhanced with gauge transformations and local search, and an Instantaneous Quantum Polynomial (IQP) circuit-based scheme where training is done classically and sampling is delegated to quantum hardware. We demonstrate the effectiveness of these approaches using IBM quantum processors, solving problem instances with up to 156 qubits and circuits containing up to 950 nonlocal gates, corresponding to mRNA sequences of up to 60 nucleotides. Additionally, we validate scalability of the CVaR algorithm on a tensor network simulator, reaching up to 354 qubits in noiseless settings. These results demonstrate the growing practical capabilities of hybrid quantum-classical methods for tackling large-scale biological optimization problems.

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arXiv2024

mRNA secondary structure prediction using utility-scale quantum computers

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.

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arXiv2020

Achieving fair sampling in quantum annealing

Sampling all ground states of a Hamiltonian with equal probability is a desired feature of a sampling algorithm, but recent studies indicate that common variants of transverse field quantum annealing sample the ground state subspace unfairly. In this note, we present perturbation theory arguments suggesting that this deficiency can be corrected by employing reverse annealing-inspired paths. We confirm that this conclusion holds in simulations of previously studied small instances with degeneracy, as well as larger instances on quantum annealing hardware.

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arXiv2018

Heterogeneous Quantum Computing for Satellite Constellation Optimization: Solving the Weighted K-Clique Problem

NP-hard optimization problems scale very rapidly with problem size, becoming unsolvable with brute force methods, even with supercomputing resources. Typically, such problems have been approximated with heuristics. However, these methods still take a long time and are not guaranteed to find an optimal solution. Quantum computing offers the possibility of producing significant speed-up and improved solution quality. Current quantum annealing (QA) devices are designed to solve difficult optimization problems, but they are limited by hardware size and qubit connectivity restrictions. We present a novel heterogeneous computing stack that combines QA and classical machine learning, allowing the use of QA on problems larger than the hardware limits of the quantum device. These results represent experiments on a real-world problem represented by the weighted k-clique problem. Through this experiment, we provide insight into the state of quantum machine learning.

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arXiv2018

Quantum Annealing for Combinatorial Clustering

Clustering is a powerful machine learning technique that groups "similar" data points based on their characteristics. Many clustering algorithms work by approximating the minimization of an objective function, namely the sum of within-the-cluster distances between points. The straightforward approach involves examining all the possible assignments of points to each of the clusters. This approach guarantees the solution will be a global minimum, however the number of possible assignments scales quickly with the number of data points and becomes computationally intractable even for very small datasets. In order to circumvent this issue, cost function minima are found using popular local-search based heuristic approaches such as k-means and hierarchical clustering. Due to their greedy nature, such techniques do not guarantee that a global minimum will be found and can lead to sub-optimal clustering assignments. Other classes of global-search based techniques, such as simulated annealing, tabu search, and genetic algorithms may offer better quality results but can be too time consuming to implement. In this work, we describe how quantum annealing can be used to carry out clustering. We map the clustering objective to a quadratic binary optimization (QUBO) problem and discuss two clustering algorithms which are then implemented on commercially-available quantum annealing hardware, as well as on a purely classical solver "qbsolv." The first algorithm assigns N data points to K clusters, and the second one can be used to perform binary clustering in a hierarchical manner. We present our results in the form of benchmarks against well-known k-means clustering and discuss the advantages and disadvantages of the proposed techniques.

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