# 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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### 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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### Variational Quantum Eigensolver (VQE) by scipy minimize in cirq does not work

I tried to make a cirq program calculating an eigenvalue of the observable by VQE. Inspired by the qulacs VQE tutorial, I defined a cost function from the expectation value of the observable with ...
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### Ansatz for VQE demonstrating Quantum Advantage

What would be a possible ansatz quantum state in VQE (variational quantum eigensolver [1]) that would demonstrate the quantum advantage of VQE over classic computers? More specifically, I see that VQE ...
67 views

### Difference between Qiskit and Openfermion two body integrals

I am struggling with understanding the differences between OpenFermion and Qiskit libraries when it comes to Molecular Data, two body integrals. For example, I am working with the following ...
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### 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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### 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} ...
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### 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 ...
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### 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 ...
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### 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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### 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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### 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 ...
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### 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 ...
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### 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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### 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 ...
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### How to update angles

I am struggling to understand the concept of updating angles in a parameterized algorithm. Assume I have an objective function $x^2+1$ that I want to optimize using QAOA which can handle continuous ...
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### Minimum working example for Qiskit's AdaptVQE

I am trying to implement a simple AdaptVQE in Qiskit. Following the documentation provided by Qiskit, this should be very simple: ...
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### 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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### 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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### Complexity of Variational Quantum Eigensolvers

I am doing research surrounding VQE and am a bit confused about the complexity and its comparison to classical systems. My brief research has yielded me that classical eigenvalue solving is $O(n^3)$. ...
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### Running VQE code using qiskit_nature on IBM computers

$\texttt{qiskit_nature}$ no longer has the $\texttt{runtime}$ feature and $\texttt{VQEClient}$ function that was used to run a VQE code on one of the IBM computers. I could not find any easy migration ...
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### VQE on Qiskit: getting counts per Hamiltonian term

Consider a VQE calculation (using the QASM backend and on Qiskit) that involves a qubit Hamiltonian with, say, 5 terms. Is there a way for us to get the counts for each of the Hamiltonian terms that ...
20 views

### Understanding the Role of Qiskit's VQE Code in Light of Pre-calculated Zero-Point Vibrational Energy in Gaussian Files

In the context of quantum computational chemistry, the Qiskit VQE (Variational Quantum Eigensolver) code is often used to calculate the vibrational energies of molecules, including the zero-point ...
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### Qiskit noisy FakeManila simulator + ZNE

I am trying to run a simple VQE calculation on H2 using FakeManila noise model and ZNE for error mitigation; see code below. The problem is that I can never reach not even close the ground electronic ...
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### Efficient gate executing the time evolution of a Hamiltonian using Runge-Kutta method

You can find a minimal working example below. In particular, I want to replace the scipy.linalg.expm() matrix exponential by a Runge Kutta time evolution method as ...
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### 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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### 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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### 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 ...
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### 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. Can ...
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### 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 ...
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### 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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### 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 ...
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### 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 ...
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### 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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### 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 ...
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### 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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### How to combine a VQE circuit with normal qiskit quantum circuit without parameters and give the measured set of qubits to the estimator?

I want to use a parameterized quantum-circuit which is $\text{CNOT}$ with another quantum-circuit that has no parameters, then after a series of gates on the second quantum-circuit, I want to measure ...
1 vote
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### How can I Combine Qiskit's VQE Tutorial and TSP Simulator to solve the TSP on a real backend efficiently?

I have a university project where I am trying to solve the Traveling Salesman Problem by using a real quantum backend, rather than just the VQE simulator, as in this tutorial. I found this code on ...
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### Usage of qiskit API MatrixOp.to_pauli_op()

I am quite confused with the MatrixOp.to_pauli_op() API. I have a hamiltonian, and it is given as input to a API MatrixOp. ...
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### Why is quantum annealing not used in optimization for variational quantum algorithms?

I have been learning about variational quantum algorithms and encountered that none of the articles talk about using quantum annealers for optimization of the parameters ? I have however encountered ...
1 vote
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### Need help regarding building a custom VQE

I want to write code for a custom Variational Quantum Eigensolver (VQE) capable of computing eigenvalue(s) for non-Hermitian systems, based on this paper. I have formulated a cost function (provided ...
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### Is there a way to find the computational resources required to perform a simulation of n- qubits in Cirq similar to qsim?

I’m trying to model basic spin chains in 1D using VQE (ideal circuit) with cirq and qsim. The models have between 10-20 sites and varying interactions (nearest neighbour, next to nearest neighbour etc)...
1 vote
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### Efficient classical simulation technique to execute this specific quantum circuit

I have a quantum circuit similar to the ones used in VQE methods. One difference is that the angles of the $R_y$ rotations are limited in the range $[0, 0.2]$ (and chosen randomly). In my case, I have ...
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### VQE for Vibrational ground state energy

I was reading this article. In this article, they calculated the vibrational energy of CO2 and NH3 molecules using VQE, and I checked qiskit documentation for finding Vibrational energy using qiskit. ...
1 vote
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### Ground state returned by VQE is not an eigenstate?

With my VQE algorithm, I want to obtain both the ground state energy and its corresponding ground eigenstate. However, the state I reach using VQE is usually very different from the true ground ...
1 vote
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### I am optimising a variational quantum circuit to learn a distribution $p(x)$, but it doesn't converge over a training set $\mathcal{X}$?

I am training a variational quantum circuit to learn distributions: given data $s(\vec{\lambda})$, what is the probability distribution for the parameterisation $\vec{\lambda}$, i.e. the posterior ...
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### qiskit.algorithms.optimizers callback function for all optimizers

I am aware that VQE and VQC factory supports callback functions which can allow us to store intermediate values during optimization through callbacks in its arguments. However my loss function is ...
1 vote
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### getting error while simulating LiH using VQE

I wrote code again using updated qiskit nature libraries but I am facing error , I need help to finding solution so that we can run this code on latest version of qiskit. I am attaching code below........
1 vote
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### 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
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### 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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