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advanced · Programming · Advanced Hamiltonian Simulation

Linear Combination of Unitaries (LCU)

Product formulas multiply unitaries together. The linear combination of unitaries (LCU) technique does something a quantum computer cannot do directly: it adds unitaries. A sum ∑ℓαℓUℓ\sum_\ell \alpha_\ell U_\ell is generally not unitary, so we cannot just run it as a circuit. LCU implements it anyway, with the help of an ancilla register and a post-selected measurement.

Why we want sums of unitaries

Most Hamiltonians are already given as a weighted sum of unitaries — a Pauli decomposition,

H=∑ℓ=1LαℓPℓ,αℓ>0, Pℓ∈{I,X,Y,Z}⊗n.H = \sum_{\ell=1}^{L} \alpha_\ell P_\ell, \qquad \alpha_\ell > 0,\ P_\ell \in \{I, X, Y, Z\}^{\otimes n}.

Each Pauli string PℓP_\ell is itself unitary. If we can apply the operator HH — or a function of it, such as a truncated Taylor series of e−iHte^{-iHt}, which is again a sum of unitaries — we have a route to simulation that never invokes the product structure of Trotter.

The two ingredients: PREPARE and SELECT

LCU uses an ancilla register of ⌈log⁡2L⌉\lceil \log_2 L \rceil qubits and two oracles.

PREPARE encodes the coefficients into ancilla amplitudes. Writing λ=∑ℓαℓ\lambda = \sum_\ell \alpha_\ell,

PREPARE ∣0⟩a=1λ∑ℓαℓ ∣ℓ⟩a.\text{PREPARE}\,|0\rangle_a = \frac{1}{\sqrt{\lambda}} \sum_{\ell} \sqrt{\alpha_\ell}\,|\ell\rangle_a.

SELECT applies the ℓ\ell-th unitary to the system, controlled on the ancilla holding ℓ\ell:

SELECT=∑ℓ∣ℓ⟩⟨ℓ∣a⊗Uℓ.\text{SELECT} = \sum_{\ell} |\ell\rangle\langle\ell|_a \otimes U_\ell.

The LCU circuit

The recipe is PREPARE, then SELECT, then PREPARE†^\dagger:

W=(PREPARE†⊗I) SELECT (PREPARE⊗I).W = (\text{PREPARE}^\dagger \otimes I)\,\text{SELECT}\,(\text{PREPARE} \otimes I).

Apply WW to ∣0⟩a∣ψ⟩|0\rangle_a |\psi\rangle and project onto the branch where the ancilla returns to ∣0⟩a|0\rangle_a. A short calculation gives

(⟨0∣a⊗I) W (∣0⟩a⊗∣ψ⟩)=1λ∑ℓαℓUℓ ∣ψ⟩.\bigl(\langle 0|_a \otimes I\bigr)\,W\,\bigl(|0\rangle_a \otimes |\psi\rangle\bigr) = \frac{1}{\lambda} \sum_\ell \alpha_\ell U_\ell\,|\psi\rangle.

So conditioned on measuring the ancilla in ∣0⟩|0\rangle, the system carries the desired combination ∑ℓαℓUℓ\sum_\ell \alpha_\ell U_\ell applied to ∣ψ⟩|\psi\rangle, divided by the normalisation λ\lambda. This is exactly a block-encoding: WW contains 1λ∑ℓαℓUℓ\tfrac{1}{\lambda}\sum_\ell \alpha_\ell U_\ell in its top-left block.

Success probability and amplification

The good branch occurs with probability

psuccess=∥∑ℓαℓUℓ ∣ψ⟩∥2λ2.p_{\text{success}} = \frac{\bigl\lVert \sum_\ell \alpha_\ell U_\ell\,|\psi\rangle\bigr\rVert^2}{\lambda^2}.

For a single application this can be small, but oblivious amplitude amplification boosts it to near 1 with only O(λ)O(\lambda) repetitions of WW — without needing to know ∣ψ⟩|\psi\rangle. The normalisation λ=∑ℓαℓ\lambda = \sum_\ell \alpha_\ell, the 1-norm of the coefficients, is therefore the key cost parameter of any LCU-based algorithm.

From LCU to simulation

To simulate e−iHte^{-iHt}, Childs and Wiebe expand the evolution into a truncated Taylor series,

e−iHt≈∑k=0K(−iHt)kk!,e^{-iHt} \approx \sum_{k=0}^{K} \frac{(-iHt)^k}{k!},

and substitute the Pauli decomposition of HH. Each term is a product of Pauli strings — itself a single unitary — so the whole truncated series is again a sum of unitaries, ready for LCU. Choosing the cutoff K=O ⁣(log⁡(1/ε)log⁡log⁡(1/ε))K = O\!\left(\frac{\log(1/\varepsilon)}{\log\log(1/\varepsilon)}\right) achieves error ε\varepsilon. The cost scales as O(λt)O(\lambda t) in the evolution time and only logarithmically in 1/ε1/\varepsilon — an exponential improvement over the O(1/ε)O(1/\varepsilon) of first-order Trotter.

Cost summary

LCU turns "we can only multiply unitaries" into "we can also add them, at the price of an ancilla and a post-selected measurement." The next lesson shows how qubitization removes even the post-selection by turning WW into an exactly unitary walk operator.

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