In High-Energy Physics, unfolding is the process of reconstructing true distributions of physical observables from detector-distorted measurements. Starting from its reformulation as a regularized quadratic optimization, we develop a framework to tackle this problem using both classical and quantum-compatible methods. In particular, we derive a Quadratic Unconstrained Binary Optimization (QUBO) representation of the unfolding objective, allowing direct implementation on quantum annealing and hybrid quantum-classical solvers. The proposed approach is implemented in QUnfold, an open-source Python package integrating classical mixed-integer solvers and D-Wave's hybrid quantum solver. We benchmark the method against widely used unfolding techniques in RooUnfold, including response Matrix Inversion, Iterative Bayesian Unfolding, and Singular Value Decomposition unfolding, using synthetic dataset with controlled distortion effects. Our results demonstrate that the optimization-based approach achieves competitive reconstruction accuracy across multiple distributions while naturally accommodating regularization within the objective function. This work establishes a unified optimization perspective on unfolding and provides a practical pathway for exploring quantum-enhanced methods in experimental HEP data analysis.
In High-Energy Physics, unfolding is the process of reconstructing true distributions of physical observables from detector-distorted measurements. Starting from its reformulation as a regularized quadratic optimization, we develop a framework to tackle this problem using both classical and quantum-compatible methods. In particular, we derive a Quadratic Unconstrained Binary Optimization (QUBO) representation of the unfolding objective, allowing direct implementation on quantum annealing and hybrid quantum-classical solvers. The proposed approach is implemented in QUnfold, an open-source Python package integrating classical mixed-integer solvers and D-Wave's hybrid quantum solver. We benchmark the method against widely used unfolding techniques in RooUnfold, including response Matrix Inversion, Iterative Bayesian Unfolding, and Singular Value Decomposition unfolding, using synthetic dataset with controlled distortion effects. Our results demonstrate that the optimization-based approach achieves competitive reconstruction accuracy across multiple distributions while naturally accommodating regularization within the objective function. This work establishes a unified optimization perspective on unfolding and provides a practical pathway for exploring quantum-enhanced methods in experimental HEP data analysis.
Abstract In experimental High-Energy Physics, unfolding refers to the problem of estimating the underlying distribution of a physical observable from detector-level data, in the presence of statistical fluctuations and systematic uncertainties. Starting from its reformulation as a regularized quadratic optimization problem, we develop a framework to address unfolding using both classical and quantum-compatible methods. In particular, we derive a Quadratic Unconstrained Binary Optimization (QUBO) representation of the unfolding objective, allowing direct implementation on quantum annealing and hybrid quantum-classical solvers. The proposed approach is implemented in QUnfold, an open-source Python package integrating classical mixed-integer solvers and D-Wave's hybrid quantum solver. We benchmark the method against widely used unfolding techniques in RooUnfold, including response Matrix Inversion, Iterative Bayesian Unfolding, and Singular Value Decomposition unfolding, using synthetic datasets with controlled distortion effects. Our results demonstrate that the optimization-based approach achieves competitive reconstruction accuracy across multiple distributions while naturally accommodating regularization within the objective function. This work establishes a unified optimization perspective on unfolding and provides a practical pathway for exploring quantum-enhanced methods in experimental HEP data analysis.
A bstract High-energy physics is replete with hard computational problems and it is one of the areas where quantum computing could be used to speed up calculations. We present an implementation of likelihood-based regularized unfolding on a quantum computer. The inverse problem is recast in terms of quadratic unconstrained binary optimization (QUBO), which has the same form of the Ising hamiltonian and hence it is solvable on a programmable quantum annealer. We tested the method using a model that captures the essence of the problem, and compared the results with a baseline method commonly used in precision measurements at the Large Hadron Collider (LHC) at CERN. The unfolded distribution is in very good agreement with the original one. We also show how the method can be extended to include the effect of nuisance parameters representing sources of systematic uncertainties affecting the measurement.
We propose a unified approach for reformulating diverse computational challenges into Quadratic Unconstrained Binary Optimization (QUBO) models and solving them via quantum annealing. By applying this framework across multiple domains, we demonstrate its flexibility in handling structurally different problems within a single mathematical formulation. The study highlights QUBO’s capability to exploit quantum parallelism, integrate regularization seamlessly, and address ill-posed inverse problems. These advantages position QUBO-based quantum annealing as a promising tool for large-scale optimization and reconstruction tasks, with strong potential for impact in scientific computing, engineering, and data-driven applications.
Abstract In the current era of noisy intermediate-scale quantum computers, noisy qubits can result in biased results for early quantum algorithm applications. This is a significant challenge for interpreting results from quantum computer simulations for quantum chemistry, nuclear physics, high energy physics (HEP), and other emerging scientific applications. An important class of qubit errors are readout errors. The most basic method to correct readout errors is matrix inversion, using a response matrix built from simple operations to probe the rate of transitions from known initial quantum states to readout outcomes. One challenge with inverting matrices with large off-diagonal components is that the results are sensitive to statistical fluctuations. This challenge is familiar to HEP, where prior-independent regularized matrix inversion techniques (“unfolding”) have been developed for years to correct for acceptance and detector effects, when performing differential cross section measurements. We study one such method, known as iterative Bayesian unfolding, as a potential tool for correcting readout errors from universal gate-based quantum computers. This method is shown to avoid pathologies from commonly used matrix inversion and least squares methods.
Quadratic Unconstrained Binary Optimization (QUBO) is a central formulation for combinatorial optimization and has gained increasing attention due to its compatibility with quantum, hybrid quantum-classical, and quantum-inspired solvers. However, translating natural-language problem descriptions into correct QUBO formulations remains difficult, requiring the identification of binary variables, constraints, objective functions, penalty terms, and suitable penalty weights. This process is time-consuming and often demands substantial domain expertise. To address this challenge, we propose an end-to-end multi-agent framework that automatically generates QUBO formulations from natural-language problem descriptions, supported by structured or unstructured test cases. To evaluate its performance, We also introduce QUBOBench, a benchmark containing 100 combinatorial optimization problems across 12 application domains, curated from peer-reviewed literature, competitions, and canonical NP-hard problems. Experimental results show that our framework achieves 68% accuracy on QUBOBench, outperforming a direct single-call baseline by 22%. Further analysis identifies iterative self-repair as the most important component contributing to improved performance. The data and code are open-sourced at https://quitttcat.github.io/QuantumQUBOAgent.
Parameter estimation is a fundamental challenge in the calibration of ordinary differential equation (ODE) models, where repeated numerical integration can lead to high computational cost. In this work, we investigate whether quantum algorithms can be leveraged to assist parameter estimation in nonlinear dynamical systems. We develop a hybrid classical-quantum framework that reformulates a data-assimilation-augmented parameter estimation problem as a combinatorial optimization task. Model dynamics and data assimilation are enforced entirely on the classical side, while the resulting parameter estimation cost functional is discretized and approximated by a quadratic unconstrained binary optimization (QUBO) surrogate. This surrogate is mapped to an Ising Hamiltonian, and quantum optimizers are used to search for low-energy configurations corresponding to candidate parameter estimates. We apply the framework to SIS and SIR epidemic models, the chaotic Lorenz-63 system, and a high-dimensional two-layer Lorenz-96 system. In this setting, the method is used to recover classical system parameters from partial state observations across steady-state, chaotic, and high-dimensional multiscale dynamical systems. Numerical experiments with synthetic data show that the proposed approach accurately recovers parameters while requiring data-assimilation solves only on a prescribed coarse grid. The framework avoids quantum state tomography, illustrating a viable pathway for integrating quantum optimization into data-driven parameter estimation for nonlinear dynamical systems.