arXiv subjects

Ioannis Kolotouros

Publications and source records attributed to Ioannis Kolotouros.

8 recordsLinked to original sources

arXiv2026

A quantum double-bracket algorithm for imaginary-time evolution with exponentially shorter depth

Imaginary-time evolution (ITE) is a widely used technique for preparing the ground state of a target Hamiltonian. Building on the recently proposed framework of Double-Bracket quantum ITE (DB-QITE), we introduce a probabilistic variant (PDBQITE) that achieves an exponential reduction in circuit depth. Our algorithm requires only a single ancilla qubit and a quantum circuit that consists of one controlled real-time evolution and one mid-circuit measurement per iteration. The trade-off is an exponential decay of the total success probability with the number of iterations, for which we derive an analytical lower bound that is independent of system size. Our numerical simulations show that the per-step success probability remains close to unity, making it realistic to execute many iterations, thus providing a substantial improvement over prior constructions. We show that PDBQITE outperforms the near-term probabilistic algorithm PITE for ground-state preparation of molecular Hamiltonians, and that a hybrid QAOA-PDBQITE scheme achieves higher approximation ratios than QAOA at the same circuit depth on random regular graphs for the MaxCut problem.

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arXiv2026

Quantum Elastic Network Models and their Application to Graphene

Molecular dynamics simulations are a central computational methodology in materials design for relating atomic composition to mechanical properties. However, simulating materials with atomic-level resolution on a macroscopic scale is infeasible on current classical hardware, even when using the simplest elastic network models (ENMs) that represent molecular vibrations as a network of coupled oscillators. To address this issue, we introduce Quantum Elastic Network Models (QENMs) and utilize the quantum algorithm of Babbush et al. (PRX, 2023), which offers an exponential advantage when simulating systems of coupled oscillators. Here, we extend their algorithm in 2D systems and demonstrate how our method enables the efficient simulation of planar materials. As an example, we apply our algorithm to the task of simulating a 2D graphene sheet. We analyze the complexity for initial-state preparation, Hamiltonian simulation, and measurement of this material, and provide two real-world applications: heat transfer and the out-of-plane rippling effect. We estimate that an atomistic simulation of a graphene sheet on the centimeter scale, classically requiring hundreds of petabytes of memory and prohibitive runtimes, could be encoded and simulated with as few as $\sim 160$ logical qubits.

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arXiv2025

Adiabatic-Inspired Hybrid Quantum-Classical Methods for Molecular Ground State Preparation

Quantum computing promises to efficiently and accurately solve many important problems in quantum chemistry which elude classical solvers, such as the electronic structure problem of highly correlated materials. Two leading methods in solving the ground state problem are the Variational Quantum Eigensolver (VQE) and Adiabatic Quantum Computing (AQC) algorithms. VQE often struggles with convergence due to the energy landscape being highly non-convex and the existence of barren plateaux, and implementing AQC is beyond the capabilities of current quantum devices as it requires deep circuits. Adiabatically-inspired algorithms aim to fill this gap. In this paper, we first present a unifying framework for these algorithms and then benchmark the following methods: the Adiabatically Assisted VQE (AAVQE) (Garcia-Saez and Latorre (2018)), the Variational Adiabatic Quantum Computing (VAQC) (Harwood et al (2022)), and the Adiabatic Quantum Computing with Parametrized Quantum Circuits (AQC-PQC) (Kolotouros et al (2025)) algorithms. Second, we introduce a novel hybrid approach termed G-AQC-PQC, which generalizes the AQC-PQC method, and combines adiabatic-inspired initialization with the low-memory BFGS optimizer, reducing the quantum computational cost of the method. Third, we compare the accuracy of the methods for chemistry applications using the beryllium hydride molecule (BeH$_2$). We compare the approaches across a number of different choices (ansätze types, depth, discretization steps, initial Hamiltonian, adiabatic schedules and method used). Our results show that the G-AQC-PQC outperforms conventional VQE. We further discuss limitations such as the zero-gradient problem and identify regimes where adiabatically-inspired methods offer a tangible advantage for near-term quantum chemistry applications.

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arXiv2025

Accelerating quantum imaginary-time evolution with random measurements

Quantum imaginary-time evolution (QITE) is a promising tool to prepare thermal or ground states of Hamiltonians, as convergence is guaranteed when the evolved state overlaps with the ground state. However, its implementation using a a hybrid quantum/classical approach, where the dynamics of the parameters of the quantum circuit are derived by McLachlan's variational principle is impractical as the number of parameters $m$ increases, since each step in the evolution takes $Θ(m^2)$ state preparations to calculate the quantum Fisher information matrix (QFIM). In this work, we accelerate QITE by rapid estimation of the QFIM, while conserving the convergence guarantees to the extent possible. To this end, we prove that if a parameterized state is rotated by a 2-design and measured in the computational basis, then the QFIM can be inferred from partial derivative cross correlations of the probability outcomes. One sample estimate costs only $Θ(m)$ state preparations, leading to rapid QFIM estimation when a few samples suffice. The second family of estimators take greater liberties and replace QFIMs with averaged classical Fisher information matrices (CFIMs). In an extreme special case optimized for rapid (over accurate) descent, just one CFIM sample is drawn. We justify the second estimator family by proving rapid descent. Guided by these results, we propose the random-measurement imaginary-time evolution (RMITE) algorithm, which we showcase and test in several molecular systems, with the goal of preparing ground states.

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arXiv2024

Random Natural Gradient

Hybrid quantum-classical algorithms appear to be the most promising approach for near-term quantum applications. An important bottleneck is the classical optimization loop, where the multiple local minima and the emergence of barren plateaux make these approaches less appealing. To improve the optimization the Quantum Natural Gradient (QNG) method [Quantum 4, 269 (2020)] was introduced - a method that uses information about the local geometry of the quantum state-space. While the QNG-based optimization is promising, in each step it requires more quantum resources, since to compute the QNG one requires $O(m^2)$ quantum state preparations, where $m$ is the number of parameters in the parameterized circuit. In this work we propose two methods that reduce the resources/state preparations required for QNG, while keeping the advantages and performance of the QNG-based optimization. Specifically, we first introduce the Random Natural Gradient (RNG) that uses random measurements and the classical Fisher information matrix (as opposed to the quantum Fisher information used in QNG). The essential quantum resources reduce to linear $O(m)$ and thus offer a quadratic "speed-up", while in our numerical simulations it matches QNG in terms of accuracy. We give some theoretical arguments for RNG and then benchmark the method with the QNG on both classical and quantum problems. Secondly, inspired by stochastic-coordinate methods, we propose a novel approximation to the QNG which we call Stochastic-Coordinate Quantum Natural Gradient that optimizes only a small (randomly sampled) fraction of the total parameters at each iteration. This method also performs equally well in our benchmarks, while it uses fewer resources than the QNG.

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arXiv2024

Adiabatic quantum computing with parameterized quantum circuits

Adiabatic quantum computing is a universal model for quantum computing whose implementation using a gate-based quantum computer requires depths that are unreachable in the early fault-tolerant era. To mitigate the limitations of near-term devices, a number of hybrid approaches have been pursued in which a parameterized quantum circuit prepares and measures quantum states and a classical optimization algorithm minimizes an objective function that encompasses the solution to the problem of interest. In this work, we propose a different approach starting by analyzing how a small perturbation of a Hamiltonian affects the parameters that minimize the energy within a family of parameterized quantum states. We derive a set of equations that allow us to compute the new minimum by solving a constrained linear system of equations that is obtained from measuring a series of observables on the unperturbed system. We then propose a discrete version of adiabatic quantum computing that can be implemented in a near-term device while at the same time is insensitive to the initialization of the parameters and to other limitations hindered in the optimization part of variational quantum algorithms. We compare our proposed algorithm with the Variational Quantum Eigensolver on two classical optimization problems, namely MaxCut and Number Partitioning, and on a quantum-spin configuration problem, the Transverse-Field Ising Chain model, and confirm that our approach demonstrates superior performance.

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arXiv2024

Big data applications on small quantum computers

Current quantum hardware prohibits any direct use of large classical datasets. Coresets allow for a succinct description of these large datasets and their solution in a computational task is competitive with the solution on the original dataset. The method of combining coresets with small quantum computers to solve a given task that requires a large number of data points was first introduced by Harrow [arXiv:2004.00026]. In this paper, we apply the coreset method in three different well-studied classical machine learning problems, namely Divisive Clustering, 3-means Clustering, and Gaussian Mixture Model Clustering. We provide a Hamiltonian formulation of the aforementioned problems for which the number of qubits scales linearly with the size of the coreset. Then, we evaluate how the variational quantum eigensolver (VQE) performs on these problems and demonstrate the practical efficiency of coresets when used along with a small quantum computer. We perform noiseless simulations on instances of sizes up to 25 qubits on CUDA Quantum and show that our approach provides comparable performance to classical solvers.

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arXiv2022

An evolving objective function for improved variational quantum optimisation

A promising approach to useful computational quantum advantage is to use variational quantum algorithms for optimisation problems. Crucial for the performance of these algorithms is to ensure that the algorithm converges with high probability to a near-optimal solution in a small time. In Barkoutsos et al (Quantum 2020) an alternative class of objective functions, called Conditional Value-at-Risk (CVaR), was introduced and it was shown that they perform better than standard objective functions. Here we extend that work by introducing an evolving objective function, which we call Ascending-CVaR and that can be used for any optimisation problem. We test our proposed objective function, in an emulation environment, using as case-studies three different optimisation problems: Max-Cut, Number Partitioning and Portfolio Optimisation. We examine multiple instances of different sizes and analyse the performance using the Variational Quantum Eigensolver (VQE) with hardware-efficient ansatz and the Quantum Approximate Optimization Algorithm (QAOA). We show that Ascending-CVaR in all cases performs better than standard objective functions or the "constant" CVaR of Barkoutsos et al (Quantum 2020) and that it can be used as a heuristic for avoiding sub-optimal minima. Our proposal achieves higher overlap with the ideal state in all problems, whether we consider easy or hard instances -- on average it gives up to ten times greater overlap at Portfolio Optimisation and Number Partitioning, while it gives an 80% improvement at Max-Cut. In the hard instances we consider, for the number partitioning problem, standard objective functions fail to find the correct solution in almost all cases, CVaR finds the correct solution at 60% of the cases, while Ascending-CVaR finds the correct solution in 95% of the cases.

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