We develop three new methods to implement any Linear Combination of Unitaries (LCU), a powerful quantum algorithmic tool with diverse applications. While the standard LCU procedure requires several ancilla qubits and sophisticated multi-qubit controlled operations, our methods consume significantly fewer quantum resources. The first method ( Single-Ancilla LCU ) estimates expectation values of observables with respect to any quantum state prepared by an LCU procedure while requiring only a single ancilla qubit, and no multi-qubit controlled operations. The second approach ( Analog LCU ) is a simple, physically motivated, continuous-time analogue of LCU, tailored to hybrid qubit-qumode systems. The third method ( Ancilla-free LCU ) requires no ancilla qubit at all and is useful when we are interested in the projection of a quantum state (prepared by the LCU procedure) in some subspace of interest. We apply the first two techniques to develop new quantum algorithms for a wide range of practical problems, ranging from Hamiltonian simulation, ground state preparation and property estimation, and quantum linear systems. Remarkably, despite consuming fewer quantum resources they retain a provable quantum advantage. The third technique allows us to connect discrete and continuous-time quantum walks with their classical counterparts. It also unifies the recently developed optimal quantum spatial search algorithms in both these frameworks, and leads to the development of new ones that require fewer ancilla qubits. Overall, our results are quite generic and can be readily applied to other problems, even beyond those considered here.
Randomisation is widely used in quantum algorithms to reduce the number of quantum gates and ancillary qubits required. A range of randomised algorithms, including eigenstate property estimation by spectral filters, Hamiltonian simulation, and perturbative quantum simulation, though motivated and designed for different applications, share common features in the use of unitary decomposition and Hadamard-test-based implementation. In this work, we start by analysing the role of randomised linear-combination-of-unitaries (LCU) in quantum simulations, and present several quantum circuits that realise the randomised composite LCU. A caveat of randomisation, however, is that the resulting state cannot be deterministically prepared, which often takes an unphysical form
UρV† with unitaries
U and
V. Therefore, randomised LCU algorithms are typically restricted to only estimating the expectation value of a single Pauli operator. To address this, we introduce a quantum instrument that can realise a non-completely-positive map, whose feature of frequent measurement and reset on the ancilla makes it particularly suitable in the fault-tolerant regime. We then show how to construct an unbiased estimator of the effective (unphysical) state
UρV† and its generalisation. Moreover, we demonstrate how to effectively realise the state prepared by applying an operator that admits a composite LCU form. Our results reveal a natural connection between randomised LCU algorithms and shadow tomography, thereby allowing simultaneous estimation of many observables efficiently. As a concrete example, we construct the estimators and present the simulation complexity for three use cases of randomised LCU in Hamiltonian simulation and eigenstate preparation tasks.
Estimating the expectation value of an observable
O for a quantum state evolved under a general, possibly non-unitary, operator
A is a fundamental task in quantum simulation, chemistry, and variational algorithms. Existing linear-combination-of-unitaries (LCU) approaches implement
A on hardware, requiring ancilla qubits, controlled unitaries and, in randomized variants, fresh circuit executions for every Monte Carlo sample. These costs are prohibitive on NISQ and early fault-tolerant devices. We propose HERMES (Hardware-Efficient Reusable Measurements for Estimating LCU-based expectation valueS), which moves the processing of
A entirely to the classical domain. Expanding
A and
O in the Pauli basis and sampling pairs of Pauli terms classically, HERMES rewrites
μ=Tr(OAρA†)/Tr(AρA†) as a ratio of weighted sums of Pauli expectation values on the unmodified state
ρ, with no ancillas, controlled unitaries, or quantum implementation of
A. A two-level measurement reduction scheme (Pauli deduplication and commuting-group partitioning) bounds the number of distinct measurement settings independently of the sample count, unlike randomized LCU methods whose circuit executions grow linearly with it. On ground-state energy estimation of
H2 and
LiH via imaginary-time evolution, HERMES matches or beats Pauli single-ancilla LCU baseline using shallow circuits with no two-qubit gates beyond state preparation under qubit-wise commuting grouping. It is also more robust to noise and completes a noisy
LiH simulation infeasible for the baseline, at the cost of classical overhead growing with the number of Pauli terms in
A.
The linear combination of unitaries (LCU) is a fundamental quantum computing primitive used to embed non-unitary operators into larger systems via ancilla post-selection. In standard LCU implementations, only the zero-state ancilla outcome is retained, while all other measurement branches are discarded as unusable overhead. We study these discarded parts. Every computational-basis outcome of the ancilla projects the system onto a different linear combination of the target unitaries; collecting these outcome states in a matrix gives a factorization
Φ=CX, where
C is determined by the ancilla preparation and the rows of
X are the states
Ut∣ψ⟩, so that
rank(Φ)≤K. Although this holds for any LCU circuit; to make the analysis easier, we use a simplified model circuit with Hadamard gates on the index register and a single rotation qubit in place of the coefficient preparation unitary, in which
C is explicit. The structure suggests two complementary applications: (i) in an explicit amplitude-access model, classical low-rank matrix completion can reconstruct the full output (including the target) from a subset of its amplitude entries, while computational basis counts provide intensities and generally require additional phase information for full complex recovery; (ii) treating
C as a secret key suggests a candidate quantum trapdoor function, whose security remains informal and depends on the difficulty of structured phase retrieval. The scheme thus turns the "junk" ancilla outcomes into a structured resource, possibly opening paths for further applications.
The linear combination of unitaries (LCU) is a fundamental quantum algorithm primitive that embeds non‑unitary operators via post‑selection on an ancilla register. In standard LCU, only the
∣0…0⟩ ancilla outcome is retained; the remaining “junk” outcomes are discarded.We study these discarded parts by introducing an alternative LCU circuit which simplifies the coefficient‑preparation unitary with Hadamard gates and a single rotation qubit.Every computational basis measurement of the ancilla projects the system onto a different linear combination of the target unitaries. Collecting these outcome states and reshaping them into a
2K×N matrix reveals a factorization
Φ=CX, where
C encodes the coefficients and
X contains the action of each unitary on the input; this immediately shows
rank(Φ)≤K. This structure enables two complementary applications:(i) classical low‑rank matrix completion can reconstruct the full output (including the target) from a fraction of its entries, turning every shot into useful information;(ii) treating
C as a secret key hides the input state, leading to a candidate quantum trapdoor function and symmetric encryption.The scheme thus turns the “junk” ancilla outcomes into a structured resource, possibly opening paths for further applications.
We investigate ancilla-free linear combination of unitaries (LCU) as a framework for approximating complex quantum circuits. This is particularly effective for quantum optimization algorithms, where candidate solutions can be evaluated classically and the task is to sample high-quality bitstrings rather than reproduce the full output distribution. We show that Fourier-based LCU constructions efficiently decompose broad classes of diagonal and non-diagonal unitaries, replacing highly connected qubit interactions with single-qubit gate layers or significantly simpler structures at the cost of a polynomial sampling overhead. Applied to algorithms such as QAOA, this yields efficient, hardware-friendly decompositions of, for instance, cardinality-constraint penalties and the fully connected XY-mixer, while maintaining rigorous performance guarantees compared to fully coherent implementations. Furthermore, we establish a formal connection between Fourier-based quantum penalties and Lagrangian relaxation, offering a unified perspective on constraint handling. We validate our approach using exact statevector simulations of 12-qubit circuits and large-scale experiments on 106 superconducting qubits. Our results illustrate how approximate sampling via an LCU systematically trades circuit complexity for sampling overhead, extending the practical reach of near-term quantum optimization.
The simulation of quantum physical systems is expected to be an important application for quantum computers. The work presented in this dissertation aims to improve the resource requirements of quantum computers for solving simulation problems, by providing both novel quantum algorithms and improved implementations of existing ones. I present three main results that cover diverse aspects of simulation including equilibrium physics, the preparation of useful quantum states, and simulations based on classical stochastic processes. The results rely on established quantum algorithms and other recent techniques which I review. My first original contribution is a new quantum algorithm to sample from the thermal Gibbs state of quantum Hamiltonians. The complexity of this algorithm has an exponentially improved dependence on precision compared to an earlier quantum algorithm, and also provides polynomial improvements in other parameters. My second contribution is an improved algorithm to implement reflections about the eigenstates of unitary operators and Hamiltonians, an operation that can be used to prepare ground states of many-body Hamiltonians by quantum amplitude amplification. The improved algorithm for implementing reflections significantly reduces the number of ancilla qubits required over earlier implementations. The improvement relies in part on a novel quantum algorithm for efficiently preparing states with Gaussian-like amplitudes, which may have broad applications. I also prove a lower bound for implementing reflections, which shows that our algorithm is almost optimal. My third and final contribution regards quantum algorithms for classical stochastic processes, which are of importance in statistical physics. I present a quantum algorithm that estimates the average running time of a stochastic process, and provides a quadratic speed-up over a comparable classical algorithm.