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Added simple VQE sample #2073

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Added simple VQE sample #2073

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DmitryVasilevsky
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@DmitryVasilevsky DmitryVasilevsky commented Dec 19, 2024

This PR adds simple self-contained example of a Variational Quantum Eigensolver (VQE).

This example includes:

  1. Simple classical optimization to find minimum of a multi-variable function in order to find the approximation to the minimum eigenvalue of a Hamiltonian.
  2. Finding Hamiltonian expectation value as a weighted sum of terms.
  3. Finding one term expectation value by performing multiple shots of preparing ansatz state and measuring it.
  4. Ansatz state preparation similar to the circuit in the published paper "Ground-state energy estimation of the water molecule on a trapped ion quantum computer" (https://arxiv.org/abs/1902.10171)

To keep this sample simple and self-contained Hamiltonian is artificial (doesn't correspond to any actual chemistry problem). Also, this sample doesn't include any application of VQE, for example, finding a geometry of a molecule.

@DmitryVasilevsky DmitryVasilevsky changed the title Added simple VQE sample - quantum step of VQE Added simple VQE sample Jan 9, 2025
@DmitryVasilevsky DmitryVasilevsky marked this pull request as ready for review January 9, 2025 10:25
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@msoeken msoeken left a comment

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Looks good to me, left some comments.

samples/algorithms/SimpleVQE.qs Show resolved Hide resolved
samples/algorithms/SimpleVQE.qs Show resolved Hide resolved
/// This is an example of a Variational Quantum Eigensolver (VQE).
/// This example includes:
/// 1. Simple classical optimization to find minimum of a multi-variable function
/// in order to find an approximation to the minimum eigenvalue of a hamiltonian
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nitpick: "Hamiltonian" should be capitalized here, I think

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/// in order to find an approximation to the minimum eigenvalue of a hamiltonian
/// in order to find an approximation to the minimum eigenvalue of a Hamiltonian

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I could be wrong on this, but if not, it might be worth fixing in the comments throughout.

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@swernli swernli left a comment

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Looks good; I think it would be worth adding it to the samples.mjs that controls which samples show up in the editor!

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4 participants