Questions tagged [vqe]

For questions about the Variational Quantum Eigensolver, an algorithm which can find eigenvalues of large Hermitian operators.

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Why is there a significant variation between the exact and VQE energy results?

When running the VQE simulation for $H_2$ over a range of distances as detailed in the Simulating Molecules using VQE section of the Qiskit Textbook, the VQE energy deviation from the exact energy ...
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36 views

Why is circuit inverse not working for EfficientSU2?

For some reason I get the following error when attempting to find the inverse of the EfficientSU2 VQE variational form: TypeError: 'NoneType' object is not reversible My code is as follows: ...
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16 views

On number of parameters and operators in UCCSD in qiskit

I have two questions on UCCSD in qiskit, please see the code below. ...
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27 views

Why is local qasm simulation taking so long for VQE?

I've successfully run the $LiH$ VQE simulation detailed in Simulating Molecules using VQE using the statevector_simulator, however when attempting to run the same ...
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31 views

In Variational Quantum Eigensolvers, what does “grouping Pauli operators into tensor products requiring the same post-rotations” mean?

In this paper (nature version), the authors state We group the Pauli operators into tensor product basis sets that require the same post-rotations. As a result, they have the table S2 in the suppl. ...
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70 views

XX and YY and ZZ Hamiltonians in vqe

I'm trying to implement a vqe in cirq and I have sort of a brain knot. I have a 4 qubit chain with periodic boundary condition. So in fact a 2x2 qubit grid. Now 2 of them each are coupled. How do I ...
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42 views

Why is the lowest energy important to simulate a quantum system?

Quantum computers promise that they will simulate complex quantum systems, and I keep hearing that finding the ground state of that system (using for example Variational quantum eigensolver) is ...
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20 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 ...
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100 views

Circuit for VQE Expectation Value Finding

I'm looking into the circuit for the VQE, but am stumped at how we can identify the expectation value of the Pauli series. Essentially, how do we find: $$ \langle \psi | H_i | \psi \rangle $$ Given $...
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62 views

Examples of VQE on Qiskit

I'm a quantum beginner, and I really need some examples to help me understand quantum computing. In particular, how to get the ground energy of Hubbard or using model with VQE in Qiskit. Code examples ...
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80 views

How to add several parameters in qiskit circuit?

I want to construct an ansatz circuit in Qiskit, so I need some parameters to act on the gates (e.g. RX(a), RY(b)). In the Qiskit tutorials I find a way to implement a parameter: ...
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1answer
22 views

How to build an ExpectationBase object?

I'm trying to wrap my head around the expectation argument in Qiskit's VQE class, so to understand it I'm trying to create an ExpectationBase object to understand ...
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71 views

What is the best way to handle parametric circuits in Qiskit?

What is the best way to handle parametric circuits in Qiskit? When I create a variational form like TwoLocal and then do ...
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1answer
24 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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51 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 ...
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2answers
43 views

Suppress deprecation warnings from Qiskit

I am running a standard VQE from the example shown in here https://qiskit.org/textbook/ch-applications/vqe-molecules.html, however I keep getting this output constantly (as many times the vqe runs ...
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1answer
60 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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52 views

In which situations is it hard to find an ansatz?

Looking at the single-qubit, toy example of VQE it's pretty much trivial that arbitrary X and Y rotations are sufficient to cover all of state space for our toy system. Unfortunately, the toy example ...
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75 views

VQE: Can I build a non-hermitian Hamiltonian with just Pauli matrices?

From the VQE paper they claim that a Hamiltonian can be expressed as a polynomial series of pauli operators (equation 1). While coding up VQE from scratch I made a function which would allow me to ...
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48 views

Resource recommendation on quantum simulations

I would like to know more about quantum simulations, so as to start on a few standard physical models (maybe particle in a box, harmonic oscillator, etc.) and then build up on more complex things. But ...
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105 views

What's the point of VQE if classical computers can solve for eigenvalues easily?

From a few VQE tutorials online I see that they normally start with something like: VQE is a way of getting a good estimate for the upper bound of the ground state of a quantum system's Hamiltonian....
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3answers
175 views

Creating a custom VariationalForm in Qiskit

I would like to use the built-in Qiskit VQE() function, with my own variational form. What is the proper way to define it? I was expecting ...
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1answer
112 views

VQE restart from a previous computation

I'm running VQE algorithm on ibmq-qasm-simulator. I'm trying to implement a restart mechanism in order to be able to start a new computation from the result of a ...
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1answer
54 views

SPSA max_trials

I'm using SPSA as an optimizer in VQE algorithm. The code runs on ibmq-qasm-simulator. I've set SPSA max_trials parameter to 500, but, when I run the code, it makes ...
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1answer
50 views

How do I get intermediate values of VQE algorithm using callback?

I'm new to using Qiskit Aqua, and I'm trying to get the intermediate values in the VQE algorithm to study the convergence. The documentation mentions an internal callback function, but I can't figure ...
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27 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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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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71 views

In which type of Hamiltonian does the ansatz need an entangler in VQE?

I would like to prepare an ansatz for VQE. I know UCC ansatz is one of the most useful ansatz, but I would like to reduce the number of CNOT. From the matrix of a given Hamiltonian, can we know the ...
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1answer
193 views

VQE for Beginners : Using Tutorial and Cirq

I have been following this tutorial: https://dkopczyk.quantee.co.uk/vqe/ I am using Cirq to try to teach myself VQE, replicate their results, and also try to understand more about ansatz for ...
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1answer
51 views

QAOA Belongs into VQE or the other way around?

I have been reading a couple of papers in the arxiv and wanted to get a clarification regarding the relation between these two methods; is one a subset of the other?
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Ansatz state for finding the lowest eigenvalue of a $2^n\times 2^n$ real matrix using VQE

I would like to find the lowest eigenvalue of a $2^n\times 2^n$ real matrix $H$ using the VQE procedure. The measurement part is simple — I just expand $H$ in a sum of all possible $n$-qubit Pauli ...
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91 views

Decomposing Hamiltonian into qubit model representation

One of the main application of VQE is its application to find the approximation to the ground state energy (smallest eigenvalue) for a particular molecule through an iterative method. To be able to ...
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175 views

Cirq: easiest way to compute qubit Hamiltonian expectation value with number of shots

I was wondering what was the easiest way to take a qubit Hamiltonian, and get an expectation value estimated with a certain number of shots over a parameterized quantum circuit (or ansatz) with Cirq.
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124 views

What is the risk factor on IBM's portfolio optimization notebook?

In the notebook "portfolio optimization" on IBM's platform the goal is to calculate the optimal stock selection using a classical and a quantum algorithm (VQE). A random portfolio is generated and ...
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249 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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1answer
74 views

Finding optimal values of depth and max_trials parameters in vqe algorithm

I am running vqe algorithm in qasm_simulator and cannot get the optimal solution. Are there any methods for finding the optimal value of depth for variational form and max_iter for optimizer ...
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1answer
125 views

Modifying Qiskit Hamiltonian

I'm fairly new to the Qiskit API. I was wondering if I could get some assistance with trying to implement our technique of projecting out a new Hamiltonian from the ground-state Hamiltonian. The ...
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99 views

Qiskit statevector_simulator returns different results

I'm running VQE algorithm from qiskit aqua on statevector_simulator and each time I run it I get different results which are sometimes correct and sometimes not. I'...
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1answer
64 views

VQE with error dim. mismatch using qiskit.aqua.vqe

when i try to call the VQE from qiskit I get an error of dimmismatch. The input matrix is of a 16x16 shape and I could not find out what where I introduce the error. In the picture The input matrix ...
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2answers
90 views

Circuit of a very trivial thing

I am writing to double check that if have a hamiltonian of the form $H = I_1 \otimes I_2$, when I seek to find the unitary, $e^{-i\gamma I_1 \otimes I_2}$, there really is no need to convert this into ...
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133 views

What is a better ansatz for VQE?

I am using Qiskit. I made two quantum circuits to generate $\cos\theta|00\rangle + \sin\theta|00\rangle$ for VQE calculations as follows. Apparently, the first one which has fewer CNOT gates is ...
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63 views

How to explain that I get a value lower than the smallest possible through minimization procedure in VQE?

As far as I know after minimization I have to obtain a value $E_{0}\le \frac{\langle \psi (\theta)|H|\psi (\theta)\rangle}{\langle \psi (\theta)|\psi (\theta)\rangle}$, where $E_{0}$ - eigenvalue of ...
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210 views

How to prepare Unitary Coupled Cluster ansatz for VQE in a circuit?

I have read the following paper by Dumitrescu et al. To make a Unitary Coupled Cluster (UCC) ansatz, one prepares with the following equation. $$ | \psi_{\rm{UCC}} \rangle = U(\theta)|\mathrm{HF}\...
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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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60 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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60 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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304 views

Is there a mistake in the VQE Ansatz in Cirq's tutorial?

I have been going through Cirq's VQE background tutorial and after examining the Ansatz it seems to me that the only layer that actually affects the final measurement is the rot_x_layer. The other ...
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182 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 ...
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958 views

Is VQE a class of algorithms or a specific algorithm?

Is VQE a class of algorithms or a specific algorithm? For example, is QAOA a VQE or is VQE an algorithm distinct from QAOA that solves the same class of problems? If VQE is a specific algorithm, what ...
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2k views

How to calculate an Expected Value of some operator acting on qubits?

I'm trying to implement the Variational Quantum Eigensolver in Qiskit. Suppose, I have an operator $A = \sigma_1^z\sigma_2^z$ acting on some two-qubit state $|\psi\rangle$. After a measurement I get ...