Questions tagged [vqe]

For questions about the Variational Quantum Eigensolver, a quantum/classical hybrid algorithm that can be used to find eigenvalues of a (often large) matrix H. When this algorithm is used in quantum simulations, H is typically the Hamiltonian of some system. In this hybrid algorithm, a quantum subroutine is run inside of a classical optimization loop.

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How can I run a VQE on one of IBMQ's Quantum Computers

I have implemented a VQE based on Qiskit's VQE function and want to run that on an actual quantum computer. My understanding was, that an IBMQ backend can be passed into the function as a Quantum ...
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5 votes
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72 views

Quantum annealing - studies showing empirical evidence for better performance in comparison with classical computers

Currently, it is not known wheter quantum anneling or algorithms like VQE and QAOA for general purpose quantum computers bring about any increase in computational power. However, there are some ...
5 votes
0 answers
108 views

Run VQE for parametrized quantum circuit with ancilla qubits

Let's say we have the following circuit (picture and code shown below), and now the $q_0$ is an ancilla qubit. If the system of interest has only two qubits, Is there a way to use only $q_{1,2}$ as my ...
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4 votes
1 answer
348 views

Simulation of a helium molecule using Qskit

I am trying to compute the ground state energy of He-He using VQE. For this purpose I have utilized Qskit and have written the following script: ...
4 votes
0 answers
164 views

How to convert a qubit hamiltonian to QUBO and vice versa?

This is my hamiltonian. Solving this by hand, Numpy Python package and VQE algorithm gives the minimum energy eigenvalue -2. If we want to find the minimum energy of this hamiltonian with Quantum ...
4 votes
0 answers
289 views

Problem with measurement error mitigation using VQE

I am attempting to mitigate measurement error while running on one of IBM's real devices and am doing so by passing CompleteMeasFitter into ...
3 votes
0 answers
36 views

How is this Variational Quantum Singular Value Decomposition paper efficient in any way?

Link to paper here. This algorithm seems neat but the unitary decomposition of the matrix M generally takes an exponential number of Pauli basis elements in the number of qubits $N$, therefore an ...
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3 votes
0 answers
67 views

How to optimise QAOA

I have a similarly naive question about the classical part of the optimisation in the Quantum Approximate Optimization Algorithm. Specifically, the cost function is given prescribed as \begin{align} ...
3 votes
0 answers
39 views

If a hybrid classical+quantum algorithm can achieve quantum advantage, does this mean that the quantum part alone can?

Take for example a variational algorithm which has a classical optimization part and a quantum sampling part. In principle, the quantum part can be simulated by another classical computer given ...
3 votes
0 answers
70 views

Reducing an ansatz to a shallower circuit

Given a very general hardware efficient ansatz as in Figure: and say that you already know all the rotation parameter for the gates in the red box, is there any way to build a gate sequence that ...
  • 433
3 votes
0 answers
59 views

How to calculate $\operatorname{Var}[H]$ in the context of VQEs?

Given a Hermitian operator $H$, I can calculate the variance of the Hamiltonian $Var[H]$ as $$ Var[H] = \langle H^2 \rangle -\langle H \rangle^2 $$ Now, $H$ can be decomposed as $$ H = \sum_i \alpha_i ...
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3 votes
0 answers
174 views

Implemented QAOA returns wrong result

I try to apply QAOA algorithm to find minimal energy state of the Hamiltonian: $H_A = \frac{1}{2}\sigma_z^1 + \frac{1}{2}\sigma_z^1\sigma_z^2$ It is expected that with p=2 my variational should ...
3 votes
1 answer
243 views

VQE jobs do not appear in queue

I am trying to calculate the ground state energy of some simple molecules using 'MolecularGroundStateEnergy' tools in qiskit. When I run the calculations for very small molecules (e.g. H2, HeH+) the ...
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3 votes
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57 views

Graph coloring to reduce the number of qubits in VQE

I am reading through the following article: https://arxiv.org/abs/1312.2579 and I really struggle to understand anything of the section "D. The standard graph-coloring method" on page 7 and "E. The ...
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3 votes
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81 views

Active areas of research for NISQ algorithms

What areas of research in NISQ algorithms have heavy focus? I'm interested in quantum chemistry algorithms because of previous work (e.g. VQEs), and I'd love to learn more about other near-term ...
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2 votes
0 answers
63 views

What are the important parameters when it comes to VQE algorithms in qiskit?

So I wrote an algorithm for a quadratic problem (qubo) and try to solve it. My question is why I don't get the correct results when running my algorithm on a quantum computer like IBM_manila. In the ...
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2 votes
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45 views

What is the input for the interpret of Quantum Variational Regressors?

I'm trying to implement my first variational regressor using qiskit. I would like to understand how the interpret of a CircuitQNN works. I need to define an interpret that works on the amplitudes of a ...
2 votes
0 answers
58 views

Save output, wavefunction file and orbital information in Qiskit

I am going through LiH ground state energy calculation. I would like to know how to save the output file in Qiskit as one would do in classical computing using software like Gaussian or Psi4. Also, ...
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2 votes
0 answers
46 views

What's the importance of a relationship with Gibbs state in the context of VarQITE or variational algorithms?

Trying to figure out VarQITE or variational algorithm, I ran into the Gibbs state. What's the importance of a relationship with Gibbs state in this context. Why can we just use the arbitrary state ...
2 votes
0 answers
137 views

How can a density matrix be prepared on a quantum register?

I am currently trying to implement the VQSE algorithm. There the biggest eigenvalues and their corresponding eigenvectors of a density matrix $\rho$ are computed. In contrast to VQE, the matrix $\rho$ ...
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2 votes
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24 views

Measurement on a specific basis and proof of circuit output

I am trying to understand a proof from Practical optimization for hybrid quantum-classical algorithms. In particular, I need clarifications on how do you perform the measurement on a different basis ...
  • 433
2 votes
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76 views

Is there a general proof of convergence of variational quantum eigensolvers (VQEs) to the minimum eigenvalue?

For QAOA it is known that in the large $p$ limit, the algorithm finds the minimum/maximum (see article A Quantum Approximate Optimization Algorithm). Is there in general a proof for VQE starting ...
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2 votes
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160 views

Calculating energy function with 1&2-RDM (reduced density matrix) in Qiskit

I am now working on designing quantum error mitigation with variational quantum eigensolvers (VQE). I need to get the 1&2-RDM from Qiskit, which has already been realized by Openchemist pakages ...
2 votes
0 answers
65 views

How to implement the Mixer of Quantum Alternating Operator Ansatz for Max-Independent-Set

I am trying to implement the Mixer of the Max-Independent Set from The Quantum Alternating Operator Ansatz. From this paper: https://arxiv.org/pdf/1709.03489.pdf in Chapter 4.2 page 15 to 17. For ...
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2 votes
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115 views

Wrong Expectation value when implementing a VQE for the Heisenberg Hamiltonian

I tried to implement an extended Heisenberg-Hamiltonian as an extra exercise further than my homework. My Hamiltonian is the following: $H = \sum_{NN} \sigma_x\sigma_x + \sigma_z\sigma_z$ I try to ...
2 votes
2 answers
495 views

VQE Cirq example

Is my understanding correct that in this example the Hamiltonian measurement is not performed through measuring individual Pauli operators because all its terms are mutually commuting? So, for each ...
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1 vote
1 answer
27 views

Calculating state fidelity and space complexity of Minimum Eigen Optimizers (VQE, QAOA and Grover Optimizer) in qiskit

I'm a beginner in using Qiskit and my Computer Science background is not extensive. But I understand the Quantum Physics aspects of it relatively well. I solved a QUBO problem in Qiskit using VQE (...
1 vote
0 answers
25 views

How do you add spin up and spin down fermions to a FermiHubbardModel class in Qiskit?

I've been programming a FermiHubbardModel class with the Qiskit library for a VQE, but the class only shows input options for the U (onsite) and t (hopping) parameters when I construct a LineLattice. ...
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1 vote
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54 views

Interpreting VQE and QAOA based solutions in portfolio optimization

I am going through portfolio optimization using Qiskit. It really looks interesting. The module has both VQE and QAOA algorithms for optimizing the portfolios. In the VQE based solution the ...
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1 vote
0 answers
34 views

How to send another job to a device before finishing the last job?

Is there any way to create a for loop that would send a few jobs to run on a quantum computer simultaneously? I tried: ...
1 vote
2 answers
192 views

Expectation value of pauli strings for VQE

I am studying VQE and have boiled it down to a matter of determining the expectation value of pauli strings: $$\langle H \rangle = \sum_i \alpha_i \langle\psi|\hat{P_i}|\psi\rangle.$$ I have been ...
1 vote
0 answers
66 views

VQE Execution error: The ansatz must be parameterized, but has 0 free parameters

I am experiencing some problems with qiskit implementation of VQE. First of all, in initialize an ansatz in one of the following ways: ...
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1 vote
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25 views

Mathematical Context of MPT formula in qiskit VQE

In the video at timestamp: 43:34, We input the mean-variance parameters. https://www.youtube.com/watch?v=UtMVoGXlz04&t=3327s Based on the formula as mentioned here in section Formulation https://...
1 vote
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24 views

Question about performing VQE with an embedded Hamiltonian

Say I have a physical Hamiltonian $\mathcal{H}$ which is $D$-dimensional and I encode it into a larger matrix $M$ which is $\Delta$-dimensional. In the cases I care about $\Delta$ is strictly greater ...
1 vote
0 answers
131 views

Ground state compute issue by qiskit

I use the following code to calculate the ground state for the LiH molecule in an active space. I come across two problems. The first is I found that the Hartree Fock state gave energy that is far ...
1 vote
0 answers
62 views

Confusion about the objective function of VQEs and QAOAs

I am a bit puzzled on how the objective function of the VQEs and QAOAs. Of course, the parametrised state is constructed differently in these two algorithms but they do share a common objective to be ...
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1 vote
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85 views

Why the partial derivative of cost function is written in this form?

I am reading a paper about QCNN and BP problem. And in the paper there is a part illustrating the relation between the trainability and variance of the cost. The cost function is written as, $C(\theta)...
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1 vote
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82 views

Are inconsistent results between different VQE runs justified?

I made this post a while ago, where I learned I could use qiskit's VQE to calculate (or approximate) the Transverse Field Ising Hamiltonian and other similar Hamiltonians. After working with my code ...
1 vote
0 answers
42 views

Encoding a discrete functional in variational $n$-qubit states

So I have a discreet functional $f(x_{1},x_{2},...,x_{k})$ that I want to encode in a variational state: $|\psi(\lambda)>$. The number of variables in my functional takes values $k=9,18,30$. I want ...
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1 vote
1 answer
234 views

Why do the qasm_simulator runtimes vary significantly for different IBMQ CouplingMap/NoiseModels?

I have been running VQE experiments locally using the qasm_simulator with actual IBMQBackend NoiseModels as shown in the Qiskit Textbook. I have noticed that the ...
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1 vote
0 answers
62 views

How to construct Hamiltonian for combinatorial optimization problems and then convert into Pauli basis?

Suppose I have a portfolio optimization problem where I have to minimize, $$qx^T\sum x - \mu^Tx$$ where q is the maximum risk and x is {0,1}^n and $\mu$ are the expected returns. Now I have to convert ...
1 vote
1 answer
422 views

Unable to retrieve result for Job Error during VQE simulation

I am attempting to run a VQE calculation on the 'ibmq_qasm_simulator'. The job is failing with a series of errors caused by: ...
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1 vote
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169 views

Changing the Basis

I am attempting to use a VQE algorithm to find the ground state of a deuterium nucleus by applying a constructed hamiltonian to an ansatz state with one parameter created by a circuit. While I am ...
1 vote
0 answers
44 views

Is there a limit to the size of problems that your simulators can run on Qiskit Aqua?

I'm trying to solve QUBO problems using Qiskit QAOA and VQE solvers. However, I have the experience that I can only solve small problems. I tried with both QAOA and VQE and both experience the same ...
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1 vote
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68 views

Many jobs hanging after creating

I am running a VQE calculation running from a cluster using nohup. However, some of my jobs keep hanging with 'creating' and therefore my VQE is not converging/not working. However, at the same time,...
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28 views

Difference between using CircuitSampler vs Execute methods on obtaining expectation value

For a hybrid, VQE-type optimization in qiskit, in order to compute the expectation value of a Hamiltonian, we can use CircuitSampler on some Pauli sum operators, as well as Execute method on a list of ...
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15 views

SPSA optimizer picking up previous iterations evaluations

I would like to write a modified SPSA which takes up an optimization history of a previous VQE simulation. Is it something that can be done? The purpose of this is to cut down the amount of time and ...
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0 votes
1 answer
58 views

References for two-local forms in QISKIT

I am using 'Two local' form of QISKIT as a waveform ansatz in VQE to compute ground state. QISKIT documentation does not provide references to all the entangling options. Is there any other place ...
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Hamiltonian & QubitMappingType cannot be imported from qiskit.chemistry.core

I'm trying to implement the same Jupyter notebook in The Variational Quantum Eigensolver — Programming on Quantum Computers — Coding with Qiskit S2E4;however,I found a problem: Error: ...
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45 views

Find minimum eigenvalue of an Ising Hamiltonian combined with Error Mitigation

I am currently working on a variation of the Traveling Salesman Problem. For which I use the QUBO(Quadratic Unconstrained Binary Optimization). Within Qiskit there are potent functions to obtain the ...