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Record W3139445264 · doi:10.1103/prxquantum.3.020323

Real-Time Evolution for Ultracompact Hamiltonian Eigenstates on Quantum Hardware

2022· article· en· W3139445264 on OpenAlexaff
Katherine Klymko, Carlos Mejuto-Zaera, Stephen J. Cotton, Filip Wudarski, Miroslav Urbánek, Diptarka Hait, Martin Head‐Gordon, K. Birgitta Whaley, Jonathan E. Moussa, Nathan Wiebe, Wibe A. de Jong, Norm M. Tubman

Bibliographic record

VenuePRX Quantum · 2022
Typearticle
Languageen
FieldComputer Science
TopicQuantum Computing Algorithms and Architecture
Canadian institutionsUniversity of Toronto
FundersAir Force Research LaboratoryChemical Sciences, Geosciences, and Biosciences DivisionAdvanced Scientific Computing ResearchBasic Energy SciencesNational Aeronautics and Space AdministrationOffice of ScienceAmes Research CenterU.S. Department of Energy
KeywordsHamiltonian (control theory)Unitary transformationEigenvalues and eigenvectorsIsing modelExcited stateQuantumQuantum phase estimation algorithmStatistical physicsPhysicsAlgorithmComputer scienceApplied mathematicsQuantum mechanicsQuantum computerMathematicsMathematical optimizationQuantum simulator

Abstract

fetched live from OpenAlex

In this work we present a detailed analysis of variational quantum phase estimation (VQPE), a method based on real-time evolution for ground-and excited-state estimation on near-term hardware.We derive the theoretical ground on which the approach stands, and demonstrate that it provides one of the most compact variational expansions to date for solving strongly correlated Hamiltonians, when starting from an appropriate reference state.At the center of VQPE lies a set of equations, with a simple geometrical interpretation, which provides conditions for the time evolution grid in order to decouple eigenstates out of the set of time-evolved expansion states, and connects the method to the classical filter-diagonalization algorithm.Furthermore, we introduce what we call the unitary formulation of VQPE, in which the number of matrix elements that need to be measured scales linearly with the number of expansion states, and we provide an analysis of the effects of noise that substantially improves previous considerations.The unitary formulation allows for a direct comparison to iterative phase estimation.Our results mark VQPE as both a natural and highly efficient quantum algorithm for ground-and excited-state calculations of general manybody systems.We demonstrate a hardware implementation of VQPE for the transverse field Ising model.Furthermore, we illustrate its power on a paradigmatic example of strong correlation (Cr 2 in the def2-SVP basis set), and show that it is possible to reach chemical accuracy with as few as approximately 50 time steps.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.001
metaresearch head score (Gemma)0.003
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Simulation or modeling · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: none
Teacher disagreement score0.003
Threshold uncertainty score0.010

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0010.003
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.001
Scholarly communication0.0010.002
Open science0.0010.001
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0030.000

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.012
GPT teacher head0.245
Teacher spread0.233 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designSimulation or modeling
Domainnot available
GenreEmpirical

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations87
Published2022
Admission routes1
Has abstractyes

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