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Bálint Koczor

Publications and source records attributed to Bálint Koczor.

At least 19 recordsLinked to original sources

From Bits to Qubits: The Theory and Practice of Quantum Data Encoding

Encoding classical data into quantum systems is a foundational step in the execution of nearly all quantum algorithms, and a critical bottleneck in realizing practical quantum advantage. This review provides a comprehensive account of the concepts, algorithms, and practical considerations associated with quantum data encoding. We trace the development from its early conceptual foundations to recent advances, considering commonly used access models, such as quantum state preparation, unitary synthesis, QRAM and block encoding. We survey the circuit size, depth, space-time tradeoffs, as well as non-Clifford resources required for fault-tolerant implementation. We also discuss the roles of different access models in quantum algorithms. Special attention is given to structured data, such as sparse data, Boolean functions and data represented by tensor networks. This review bridges theory and applications, serving both as a pedagogical guide for newcomers and as a reference for active researchers. We also highlight the pivotal role of quantum data encoding in quantum computing and provide insights into future directions that will enable quantum advantage.

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Nearly Optimal Amplitude Estimation at any Depth

We develop a class of amplitude estimation algorithms with tunable circuit depth $M$ and circuit repetitions $N$, requiring neither ancilla qubits nor controlled Grover operations. For additive error $ε$ in the Grover angle, they attain the nearly optimal query-depth tradeoff $M^2N\in\widetilde{O}(ε^{-2})$ uniformly over $λ\in[0,π/2]$, spanning the full range from classical sampling at $M=1$ to the Heisenberg limit at $M=Θ(ε^{-1})$. While prior depth-tunable work establishes comparable angle-accuracy guarantees only away from the boundaries $λ\to0$ or $π/2$ or at discrete depth tradeoffs, our guarantee extends to both boundaries, so the quantum speedup persists there rather than degrading to classical sampling. Numerical experiments confirm the predicted uniform angle accuracy and show low overhead in practice, making them strong candidates for practical amplitude estimation in the early fault-tolerant regime, with applications such as overlap certification, trial-state verification, and Monte Carlo methods.

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Eigenstate Preparation Through Near-Optimal Eigenprobability Filtering

Quantum simulation is expected to be a main application of quantum computers with realistic utility in quantum chemistry, materials science and beyond. However, preparing excited or general eigenstates is a central challenge, particularly when the desired eigenvalue is not known in advance, or when the overlap with the initial state is insufficient. We introduce the Dominant Eigenstate Filtering via Eigenprobability Amplification and Thresholding (DEFEAT) algorithm that identifies and filters the eigenstate with the largest overlap with the supplied initial state. Our key observation is that we do not need prior knowledge of the target eigenvalue, as we construct efficient twirling superoperators that map initial states to eigenprobability density operators $ρ$, diagonal in the Hamiltonian eigenbasis and encoding its spectral weights, alongside its block-encoding implementation. Our crucial innovation is the quadratic amplification of probabilities via the factorisation $ρ=ρ_{\rm sqrt}^\daggerρ_{\rm sqrt}$, analogous to the recently introduced sum-of-squares spectral amplification (SOSSA), which we use here to amplify the separation between dominant and subdominant components. Thresholding then yields the dominant-eigenstate projector. Compared with conventional phase estimation, DEFEAT improves the dependence on the overlap with the initial state while requiring substantially fewer ancillary qubits. We prove that the query complexity of the filtering step is optimal up to logarithmic factors and establish a complementary lower bound for eigenstate preparation under purified query access to $ρ$. We validate in numerical simulations that the convergence rate of DEFEAT matches our theoretical results. Our results provide a general eigenvalue-agnostic primitive for dominant eigenstate filtering and preparation, and for estimating properties of dominant eigenstates.

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Low-Resource Quantum Energy Gap Estimation via Randomization

Estimating the energy spectra of quantum many-body systems is a fundamental task in quantum physics, with applications ranging from chemistry to condensed matter. Algorithmic shadow spectroscopy is a recent method that leverages randomized measurements on time-evolved quantum states to extract spectral information. However, implementing accurate time evolution with low-depth circuits remains a key challenge for near-term quantum hardware. In this work, we propose a hybrid quantum-classical protocol that integrates Time Evolution via Probabilistic Angle Interpolation (TE-PAI) into the shadow spectroscopy framework. TE-PAI enables the simulation of time evolution using shallow stochastic circuits while preserving unbiased estimates through quasiprobability sampling. We construct the combined estimator and derive its theoretical properties. Through numerical simulations, we demonstrate that our method accurately resolves energy gaps and exhibits enhanced robustness to gate noise compared to standard Trotter-based shadow spectroscopy. We further validate the protocol experimentally on up to 20 qubits using IBM quantum hardware. This makes TE-PAI shadow spectroscopy a promising tool for spectral analysis on noisy intermediate-scale quantum (NISQ) devices.

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Fullqubit alchemist: Quantum algorithm for alchemical free energy calculations

Accurately computing the free energies of biological processes is a cornerstone of computer-aided drug design, but it is a daunting task. The need to sample vast conformational spaces and account for entropic contributions makes the estimation of binding free energies very expensive. While classical methods, such as thermodynamic integration and alchemical free energy calculations, have significantly contributed to reducing computational costs, they still face limitations in terms of efficiency and scalability. We tackle this through a quantum algorithm for the estimation of free energy differences by adapting the existing Liouvillian approach and introducing several key algorithmic improvements. We directly implement the Liouvillian operator and provide an efficient description of electronic forces acting on both nuclear and electronic particles on the quantum ground state potential energy surface. This leads to super-polynomial runtime scaling improvements in the precision of our Liouvillian simulation approach and quadratic improvements in the scaling with the number of particles relative to prior quantum algorithms. Second, our algorithm calculates free energy differences via a fully quantum implementation of thermodynamic integration and alchemy, thereby foregoing expensive entropy estimation subroutines used in prior works. Our results open new avenues towards the application of quantum computers in drug discovery.

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Low-depth amplitude estimation via statistical eigengap estimation

Amplitude estimation, in its original form, is formulated as phase estimation upon the Grover iterate. Subsequent improvements to the algorithm have eliminated the need for phase estimation and introduced low-depth variants that trade speedups for lower circuit depth. We make the key observation that amplitude estimation is equivalent to estimating the energy gap of an effective Hamiltonian, whereby discrete-time evolution is generated by amplitude amplification. This enables us to develop an amplitude estimation algorithm for both Heisenberg-limited and low-depth circuit regimes, inspired by statistical phase estimation techniques developed for early fault-tolerant ground-state energy estimation. In the Heisenberg-limited regime, our approach achieves performance comparable to state-of-the-art methods while using simplified classical post-processing. In the low-depth regime, it obtains optimal query--depth tradeoffs up to polylogarithmic factors, with provable guarantees and improved empirical performance over prior approaches. The resulting protocol is ancilla-free and requires only standard Grover reflections. Due to its flexibility, generality, and robustness, we expect our approach to be a key enabler for a broad range of early fault-tolerant applications.

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Quantum-inspired classical simulation through randomized time evolution

Tensor-network simulations of quantum many-body dynamics are fundamentally limited by entanglement build-up, which leads to exponentially growing computational costs. Furthermore, these classical simulation algorithms are inherently sequential as typically a tensor network representation of the quantum state is updated incrementally at each time step. We build on recently introduced randomized quantum algorithms for time evolution (TE-PAI), and adapt them to the classical simulation context with the purpose of enabling massive parallelisation. Our MPS TE-PAI approach achieves exact time evolution on average (unbiased estimator) and proceeds by representing an ensemble of randomized shallow Trotter-variant circuits as tensor networks. As each circuit instance yields a deterministic quantum state (or observable expecation value), the only source of randomness is the sampling of circuit variants; the absence of shot noise therefore yields a reduced estimator variance relative to quantum hardware implementations of TE-PAI. We simulate representative disordered one-dimensional spin-ring Hamiltonians, and numerically observe reductions in the per-sample gate-count by a factor of up to $10^3$ relative to Trotterized MPS evolution, yielding orders of magnitude reduction in the time-to-solution under realistic levels of parallelisation. Finally, we numerically observe that MPS TE-PAI is substantially more robust against severe bond-dimension truncation than product formulas, potentially making it useful for the simulation of strongly correlated systems where truncation is necessary in practice. We also demonstrate that the approach can be used naturally in combination with existing time evolution algorithms, effectively extending their time depth via parallelisation.

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Exponential distillation of dominant eigenproperties

Estimating observable expectation values in eigenstates of quantum systems has a broad range of applications and is an area where early fault-tolerant quantum computers may provide practical quantum advantage. We develop a hybrid quantum-classical algorithm that enables the estimation of an arbitrary observable expectation value in an eigenstate, given an initial state is supplied that has dominant overlap with the targeted eigenstate -- but may overlap with any other eigenstates. Our approach builds on and is conceptually similar to purification-based error mitigation techniques; however, it achieves exponential suppression of algorithmic errors using only a single copy of the quantum state. The key innovation is that random time evolution is applied in the quantum computer to create an average mixed quantum state, which is then virtually purified with exponential efficacy. We prove rigorous performance guarantees and conclude that the complexity of our approach depends directly on the energy gap in the problem Hamiltonian and remarkably, can be compared to phase estimation combined with amplitude estimation in terms of its scaling with respect to a target precision. We demonstrate in a broad range of numerical simulations the applicability of our framework in near-term and early fault-tolerant settings. Furthermore, we demonstrate in a 100-qubit example that direct classical simulation of our approach enables the prediction of ground and excited state properties of quantum systems using tensor-network techniques, which we recognize as a quantum-inspired classical approach.

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Stratified Sampling for Quasi-Probability Decompositions

Quasi-probability decompositions (QPDs) have proven essential in many quantum algorithms and protocols -- one replaces a ``difficult'' quantum circuit with an ensemble of ``easier'' circuit variants whose weighted outcomes reproduce any target observable. This, however, inevitably yields an increased configuration variance beyond Born-rule shot noise. We develop a broad framework for accounting for and reducing this variance and prove that stratified sampling -- under ideal proportional allocation -- results in an unbiased estimator with a variance that is never worse than naïve sampling (with equality only in degenerate cases). Furthermore, we provide a classical dynamic programme to enable stratification on arbitrary product-form QPDs. Numerical simulations of typical QPDs, such as Probabilistic Error Cancellation (PEC) and Probabilistic Angle Interpolation (PAI), demonstrate constant-factor reductions in overall variance (up to $\sim 60$--$80\%$ in an oracle model) and robust $\sim 10\%$ savings in the pessimistic single-shot regime. Our results can be applied immediately to reduce the net sampling cost of practically relevant QPDs that are commonly used in near term and early fault-tolerant algorithms without requiring additional quantum resources.

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Direct Estimation of the Density of States for Fermionic Systems

Simulating time evolution is one of the most natural applications of quantum computers and is thus one of the most promising prospects for achieving practical quantum advantage. Here, we develop quantum algorithms to extract thermodynamic properties by estimating the density of states (DOS), a central object in quantum statistical mechanics. We introduce several innovations that significantly improve the practicality and extend the generality of previous techniques. First, our approach allows one to estimate the DOS only for a specific subspace of the full Hilbert space. This is crucial for fermionic systems, since both canonical and grand canonical ensemble thermal equilibrium properties depend on subspaces of fixed number. Second, in our approach, by time evolving very simple, random initial states, such as randomly chosen computational basis states, we can exactly recover the DOS on average. Third, due to circuit-depth limitations, we only reconstruct the DOS up to a convolution with a Gaussian window - thus all imperfections that shift the energy levels by less than the width of the convolution window will not significantly affect the estimated DOS. For these reasons we find the approach is a promising candidate for early quantum advantage as even short-time, noisy dynamics can yield a semi-quantitative reconstruction of the DOS (convolution with a broad Gaussian window), while early fault tolerant devices will likely enable higher resolution DOS reconstruction through longer time evolutions. We demonstrate the practicality of our approach in representative Fermi-Hubbard and spin models and indeed find that our approach is highly robust against algorithmic errors in the time evolution and against gate noise. We further demonstrate that our approach is compatible with NISQ-friendly variational techniques, introducing and leveraging a new technique for variational time evolution.

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Purification and correction of quantum channels by commutation-derived quantum filters

Reducing errors is essential for reliable quantum computation. Quantum error mitigation (QEM) and quantum error correction (QEC) are two leading approaches for this task, each with challenges: QEM suffers from high sampling costs and cannot recover states, while QEC incurs large qubit and gate overheads. We combine ideas from both and introduce an information-theoretic device called a quantum filter that can purify or correct quantum channels. We present an explicit construction capable of correcting arbitrary noise in an n-qubit Clifford circuit using 2n ancillary qubits through a commutation-derived error-detection circuit. This scheme can also partially purify noise in non-Clifford gates such as T and CCZ. Unlike QEC, it achieves deterministic error reduction without encoding the input state. Under the assumption of clean ancillas, it overcomes the exponential sampling overhead in QEM using a single query to the channel. We also propose an ancilla-efficient Pauli filter that removes nearly all low-weight erroneous Pauli components in noisy Clifford circuits using only two ancillas. For local depolarizing noise, it achieves a quadratic reduction in average infidelity. Beyond existing QEM methods, our approach enables systematic error correction as the infidelity can be exponentially reduced with each added ancilla. Through numerical simulations under ancilla noise, we identify regimes where quantum filters outperform other techniques, demonstrating their effectiveness as a scalable error-reduction tool for quantum information processing.

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Space-time tradeoff in networked virtual distillation

In contrast to monolithic devices, modular, networked quantum architectures are based on interconnecting smaller quantum hardware nodes using quantum communication links, and offer a promising approach to scalability. Virtual distillation (VD) is a technique that can, under ideal conditions, suppress errors exponentially as the number of quantum state copies increases. However, additional gate operations required for VD introduce further errors, which may limit its practical effectiveness. In this work, we analyse three practical implementations of VD that correspond to edge cases that maximise space-time tradeoffs. Specifically, we consider an implementation that minimises the number of qubits but introduces significantly deeper quantum circuits, and contrast it with implementations that parallelise the preparation of copies using additional qubits, including a constant-depth implementation. We rigorously characterise their circuit depth and gate count requirements, and develop explicit architectures for implementing them in networked quantum systems -- while also detailing implementations in early fault-tolerant quantum architectures. We numerically compare the performance of the three implementations under realistic noise characteristics of networked ion trap systems and conclude the following. Firstly, VD effectively suppresses errors even for very noisy states. Secondly, the constant-depth implementation consistently outperforms the implementation that minimises the number of qubits. Finally, the approach is highly robust to errors in remote entangling operations, with noise in local gates being the main limiting factor to its performance.

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TE-PAI: Exact Time Evolution by Sampling Random Circuits

Simulating time evolution under quantum Hamiltonians is one of the most natural applications of quantum computers. We introduce TE-PAI, which simulates time evolution exactly by sampling random quantum circuits for the purpose of estimating observable expectation values at the cost of an increased circuit repetition. The approach builds on the Probabilistic Angle Interpolation (PAI) technique and we prove that it simulates time evolution without discretisation or algorithmic error while achieving shallow circuit depths with optimal scaling that saturates the Lieb-Robinson bound. Another significant advantage of TE-PAI is that it only requires executing random circuits that consist of Pauli rotation gates of only two kinds of rotation angles $\pmΔ$ and $π$, along with measurements. While TE-PAI is highly beneficial for NISQ devices, we additionally develop an optimised early fault-tolerant implementation using catalyst circuits and repeat-until-success teleportation, concluding that the approach requires orders of magnitude fewer T-states than conventional techniques, such as Trotterization -- we estimate $3 \times 10^{5}$ T states are sufficient for the fault-tolerant simulation of a $100$-qubit Heisenberg spin Hamiltonian. Furthermore, TE-PAI allows for a highly configurable trade-off between circuit depth and measurement overhead by adjusting the rotation angle $Δ$ arbitrarily. We expect that the approach will be a major enabler in the late NISQ and early fault-tolerant periods as it can compensate circuit-depth and qubit-number limitations through an increased circuit repetition.

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Biased Estimator Channels for Classical Shadows

Extracting classical information from quantum systems is of fundamental importance, and classical shadows allow us to extract a large amount of information using relatively few measurements. Conventional shadow estimators are unbiased and thus approach the true mean in the infinite-sample limit. In this work, we consider a biased scheme, intentionally introducing a bias by rescaling the conventional classical shadows estimators can reduce the error in the finite-sample regime. The approach is straightforward to implement and requires no quantum resources. We analytically prove average case as well as worst- and best-case scenarios, and rigorously prove that it is, in principle, always worth biasing the estimators. We illustrate our approach in a quantum simulation task of a $12$-qubit spin-ring problem and demonstrate how estimating expected values of non-local perturbations can be significantly more efficient using our biased scheme.

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Preparing Ground and Excited States Using Adiabatic CoVaR

CoVarince Root finding with classical shadows (CoVaR) was recently introduced as a new paradigm for training variational quantum circuits. Common approaches, such as variants of the Variational Quantum Eigensolver, aim to optimise a non-linear classical cost function and thus suffer from, e.g., poor local minima, high shot requirements and barren plateaus. In contrast, CoVaR fully exploits powerful classical shadows and finds joint roots of a very large number of covariances using only a logarithmic number of shots and linearly scaling classical computing resources. As a result, CoVaR has been demonstrated to be particularly robust against local traps, however, its main limitation has been that it requires a sufficiently good initial state. We address this limitation by introducing an adiabatic morphing of the target Hamiltonian and demonstrate in a broad range of application examples that CoVaR can successfully prepare eigenstates of the target Hamiltonian when no initial warm start is known. CoVaR succeeds even when Hamiltonian energy gaps are very small -- this is in stark contrast to adiabatic evolution and phase estimation algorithms where circuit depths scale inversely with the Hamiltonian energy gaps. On the other hand, when the energy gaps are relatively small then adiabatic CoVaR may converge to higher excited states as opposed to a targeted specific low-lying state. Nevertheless, we exploit this feature of adiabatic CoVaR and demonstrate that it can be used to map out the low lying spectrum of a Hamiltonian which can be useful in practical applications, such as estimating thermal properties or in high-energy physics.

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Myths around quantum computation before full fault tolerance: What no-go theorems rule out and what they don't

In this perspective article, we revisit and critically evaluate prevailing viewpoints on the capabilities and limitations of near-term quantum computing and its potential transition toward fully fault-tolerant quantum computing. We examine theoretical no-go results and their implications, addressing misconceptions about the practicality of quantum error mitigation techniques and variational quantum algorithms. By emphasizing the nuances of error scaling, circuit depth, and algorithmic feasibility, we highlight viable near-term applications and synergies between error mitigation and early fault-tolerant architectures. Our discussion explores strategies for addressing current challenges, such as barren plateaus in variational circuits and the integration of quantum error mitigation and quantum error correction techniques. We aim to underscore the importance of continued innovation in hardware and algorithmic design to bridge the gap between theoretical potential and practical utility, paving the way for meaningful quantum advantage in the era of late noisy intermediate scale and early fault-tolerant quantum devices.

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Sparse Probabilistic Synthesis of Quantum Operations

Successful implementations of quantum technologies require protocols and algorithms that use as few quantum resources as possible. However, many important quantum operations, such as continuous rotation gates in quantum computing or broadband pulses in NMR or MRI applications, can only be implemented approximately using finite quantum resources. This work develops an approach that enables -- at the cost of a modestly increased measurement repetition rate -- exact implementations on average. One proceeds by first building a library of a large number of different approximations to the desired gate operation; by randomly selecting these operations according to a pre-optimised probability distribution, one can on average implement the desired operation with a rigorously controllable approximation error. The approach relies on sophisticated tools from convex optimisation to efficiently find optimal probability distributions. A diverse spectrum of applications are demonstrated as (a) exactly synthesising rotations in fault-tolerant quantum computers using only low T-count circuits and (b) synthesising broadband and band-selective pulses of superior performance in quantum optimal control with (c) further applications in NMR or MRI. The approach is very general and a broad spectrum of practical applications in quantum technologies are explicitly demonstrated.

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High-Dimensional Subspace Expansion Using Classical Shadows

We introduce a post-processing technique for classical shadow measurement data that enhances the precision of ground state estimation through high-dimensional subspace expansion; the dimensionality is only limited by the amount of classical post-processing resources rather than by quantum resources. Crucial steps of our approach are the efficient identification of useful observables from shadow data, followed by our regularised subspace expansion that is designed to be numerically stable even when using noisy data. We analytically investigate noise propagation within our method, and upper bound the statistical fluctuations due to the limited number of snapshots in classical shadows. In numerical simulations, our method can achieve a reduction in the energy estimation errors in many cases, sometimes by more than an order of magnitude. We also demonstrate that our performance improvements are robust against both coherent errors (bad initial state) and gate noise in the state-preparation circuits. Furthermore, performance is guaranteed to be at least as good - and in many cases better - than direct energy estimation without using additional quantum resources and the approach is thus a very natural alternative for estimating ground state energies directly from classical shadow data.

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