More Like this

1. Low rank representations for quantum simulation of electronic structure

   https://doi.org/10.1038/s41534-021-00416-z  

   Motta, Mario ; Ye, Erika ; McClean, Jarrod R. ; Li, Zhendong ; Minnich, Austin J. ; Babbush, Ryan ; Chan, Garnet Kin-Lic ( May 2021 , npj Quantum Information)

   The quantum simulation of quantum chemistry is a promising application of quantum computers. However, forNmolecular orbitals, the$${\mathcal{O}}({N}^{4})$$$O\left(N^4\right)$gate complexity of performing Hamiltonian and unitary Coupled Cluster Trotter steps makes simulation based on such primitives challenging. We substantially reduce the gate complexity of such primitives through a two-step low-rank factorization of the Hamiltonian and cluster operator, accompanied by truncation of small terms. Using truncations that incur errors below chemical accuracy allow one to perform Trotter steps of the arbitrary basis electronic structure Hamiltonian with$${\mathcal{O}}({N}^{3})$$$O\left(N^3\right)$gate complexity in small simulations, which reduces to$${\mathcal{O}}({N}^{2})$$$O\left(N^2\right)$gate complexity in the asymptotic regime; and unitary Coupled Cluster Trotter steps with$${\mathcal{O}}({N}^{3})$$$O\left(N^3\right)$gate complexity as a function of increasing basis size for a given molecule. In the case of the Hamiltonian Trotter step, these circuits have$${\mathcal{O}}({N}^{2})$$$O\left(N^2\right)$depth on a linearly connected array, an improvement over the$${\mathcal{O}}({N}^{3})$$$O\left(N^3\right)$scaling assuming no truncation. As a practical example, we show that a chemically accurate Hamiltonian Trotter step for a 50 qubit molecular simulation can be carried out in the molecular orbital basis with as few as 4000 layers of parallel nearest-neighbor two-qubit gates, consisting of fewer than 10⁵non-Clifford rotations. We also apply our algorithm to iron–sulfur clusters relevant for elucidating the mode of action of metalloenzymes.

    

   more » « less
2. Hamiltonian reconstruction as metric for variational studies

   https://doi.org/10.21468/SciPostPhys.13.3.063  

   Zhang, Kevin ; Lederer, Samuel ; Choo, Kenny ; Neupert, Titus ; Carleo, Giuseppe ; Kim, Eun-Ah ( January 2022 , SciPost Physics)

   Variational approaches are among the most powerful techniques toapproximately solve quantum many-body problems. These encompass bothvariational states based on tensor or neural networks, and parameterizedquantum circuits in variational quantum eigensolvers. However,self-consistent evaluation of the quality of variational wavefunctionsis a notoriously hard task. Using a recently developed Hamiltonianreconstruction method, we propose a multi-faceted approach to evaluatingthe quality of neural-network based wavefunctions. Specifically, weconsider convolutional neural network (CNN) and restricted Boltzmannmachine (RBM) states trained on a square latticespin-1/2$1/2$J_1\!-\!J_2$J_1-J_2$Heisenberg model. We find that the reconstructed Hamiltonians aretypically less frustrated, and have easy-axis anisotropy near the highfrustration point. In addition, the reconstructed Hamiltonians suppressquantum fluctuations in the largeJ_2$J_2$limit. Our results highlight the critical importance of thewavefunction’s symmetry. Moreover, the multi-faceted insight from theHamiltonian reconstruction reveals that a variational wave function canfail to capture the true ground state through suppression of quantumfluctuations.

    

   more » « less
3. Random Quantum Circuits Transform Local Noise into Global White Noise

   https://doi.org/10.1007/s00220-024-04958-z  

   Dalzell, Alexander M. ; Hunter-Jones, Nicholas ; Brandão, Fernando G. S. L. ( March 2024 , Communications in Mathematical Physics)

   We study the distribution over measurement outcomes of noisy random quantum circuits in the regime of low fidelity, which corresponds to the setting where the computation experiences at least one gate-level error with probability close to one. We model noise by adding a pair of weak, unital, single-qubit noise channels after each two-qubit gate, and we show that for typical random circuit instances, correlations between the noisy output distribution$$p_{\text {noisy}}$$$p_{\text{noisy}}$and the corresponding noiseless output distribution$$p_{\text {ideal}}$$$p_{\text{ideal}}$shrink exponentially with the expected number of gate-level errors. Specifically, the linear cross-entropy benchmarkFthat measures this correlation behaves as$$F=\text {exp}(-2s\epsilon \pm O(s\epsilon ^2))$$$F=\text{exp}(-2sϵ\pm O\left(s{ϵ}^2\right))$, where$$\epsilon $$$ϵ$is the probability of error per circuit location andsis the number of two-qubit gates. Furthermore, if the noise is incoherent—for example, depolarizing or dephasing noise—the total variation distance between the noisy output distribution$$p_{\text {noisy}}$$$p_{\text{noisy}}$and the uniform distribution$$p_{\text {unif}}$$$p_{\text{unif}}$decays at precisely the same rate. Consequently, the noisy output distribution can be approximated as$$p_{\text {noisy}}\approx Fp_{\text {ideal}}+ (1-F)p_{\text {unif}}$$$p_{\text{noisy}}\approx F{p}_{\text{ideal}}+(1-F)p_{\text{unif}}$. In other words, although at least one local error occurs with probability$$1-F$$$1-F$, the errors are scrambled by the random quantum circuit and can be treated as global white noise, contributing completely uniform output. Importantly, we upper bound the average total variation error in this approximation by$$O(F\epsilon \sqrt{s})$$$O\left(Fϵ\sqrt{s}\right)$. Thus, the “white-noise approximation” is meaningful when$$\epsilon \sqrt{s} \ll 1$$$ϵ\sqrt{s}\ll 1$, a quadratically weaker condition than the$$\epsilon s\ll 1$$$ϵs\ll 1$requirement to maintain high fidelity. The bound applies if the circuit size satisfies$$s \ge \Omega (n\log (n))$$$s\ge \Omega (nlog(n\left)\right)$, which corresponds to onlylogarithmic depthcircuits, and if, additionally, the inverse error rate satisfies$$\epsilon ^{-1} \ge {\tilde{\Omega }}(n)$$${ϵ}^{-1}\ge \tilde{\Omega }\left(n\right)$, which is needed to ensure errors are scrambled faster thanFdecays. The white-noise approximation is useful for salvaging the signal from a noisy quantum computation; for example, it was an underlying assumption in complexity-theoretic arguments that noisy random quantum circuits cannot be efficiently sampled classically, even when the fidelity is low. Our method is based on a map from second-moment quantities in random quantum circuits to expectation values of certain stochastic processes for which we compute upper and lower bounds.

    

   more » « less
4. Size dependence- and induced transformations- of fractional quantum Hall effects under tilted magnetic fields

   https://doi.org/10.1038/s41598-022-22812-x  

   Wijewardena, U. Kushan ; Nanayakkara, Tharanga R. ; Kriisa, Annika ; Reichl, Christian ; Wegscheider, Werner ; Mani, Ramesh G. ( November 2022 , Scientific Reports)

   Two-dimensional electron systems subjected to high transverse magnetic fields can exhibit Fractional Quantum Hall Effects (FQHE). In the GaAs/AlGaAs 2D electron system, a double degeneracy of Landau levels due to electron-spin, is removed by a small Zeeman spin splitting,$$g \mu _B B$$$g{\mu }_{B}B$, comparable to the correlation energy. Then, a change of the Zeeman splitting relative to the correlation energy can lead to a re-ordering between spin polarized, partially polarized, and unpolarized many body ground states at a constant filling factor. We show here that tuning the spin energy can produce fractionally quantized Hall effect transitions that include both a change in$$\nu$$$\nu$for the$$R_{xx}$$$R_{\mathrm{xx}}$minimum, e.g., from$$\nu = 11/7$$$\nu =11/7$to$$\nu = 8/5$$$\nu =8/5$, and a corresponding change in the$$R_{xy}$$$R_{\mathrm{xy}}$, e.g., from$$R_{xy}/R_{K} = (11/7)^{-1}$$$R_{\mathrm{xy}}/R_K={(11/7)}^{-1}$to$$R_{xy}/R_{K} = (8/5)^{-1}$$$R_{\mathrm{xy}}/R_K={(8/5)}^{-1}$, with increasing tilt angle. Further, we exhibit a striking size dependence in the tilt angle interval for the vanishing of the$$\nu = 4/3$$$\nu =4/3$and$$\nu = 7/5$$$\nu =7/5$resistance minima, including “avoided crossing” type lineshape characteristics, and observable shifts of$$R_{xy}$$$R_{\mathrm{xy}}$at the$$R_{xx}$$$R_{\mathrm{xx}}$minima- the latter occurring for$$\nu = 4/3, 7/5$$$\nu =4/3,7/5$and the 10/7. The results demonstrate both size dependence and the possibility, not just of competition between different spin polarized states at the same$$\nu$$$\nu$and$$R_{xy}$$$R_{\mathrm{xy}}$, but also the tilt- or Zeeman-energy-dependent- crossover between distinct FQHE associated with different Hall resistances.

    

   more » « less
5. Optimal two-qubit circuits for universal fault-tolerant quantum computation

   https://doi.org/10.1038/s41534-021-00424-z  

   Glaudell, Andrew N. ; Ross, Neil J. ; Taylor, Jacob M. ( June 2021 , npj Quantum Information)

   We study two-qubit circuits over the Clifford+CS gate set, which consists of the Clifford gates together with the controlled-phase gate CS = diag(1, 1, 1, i). The Clifford+CS gate set is universal for quantum computation and its elements can be implemented fault-tolerantly in most error-correcting schemes through magic state distillation. Since non-Clifford gates are typically more expensive to perform in a fault-tolerant manner, it is often desirable to construct circuits that use few CS gates. In the present paper, we introduce an efficient and optimal synthesis algorithm for two-qubit Clifford+CS operators. Our algorithm inputs a Clifford+CS operatorUand outputs a Clifford+CS circuit forU, which uses the least possible number of CS gates. Because the algorithm is deterministic, the circuit it associates to a Clifford+CS operator can be viewed as a normal form for that operator. We give an explicit description of these normal forms and use this description to derive a worst-case lower bound of$$5{{\rm{log}}}_{2}(\frac{1}{\epsilon })+O(1)$$$5{\log }_2\left(\frac{1}{ϵ}\right)+O\left(1\right)$on the number of CS gates required toϵ-approximate elements of SU(4). Our work leverages a wide variety of mathematical tools that may find further applications in the study of fault-tolerant quantum circuits.

    

   more » « less