Computing Time increases drastically for more layers of ansatz in VQE algorithmn
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I am pretty new to Quantum Computing and my current research is focused on showing how computational time scaling with increasing number of monomers is minimized in Protein Folding Problem with the help of Quantum Computing. For this project i am just simulating the quantum environment on a classical computer and i have to not use real quantum hardware. I chose very simple HP Protein Model on a 2d square lattice. Then a came up with a Hamiltonian that is classical, it gives higher values for con
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Computing Time increases drastically for more layers of ansatz in VQE algorithmn
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I am pretty new to Quantum Computing and my current research is focused on showing how computational time scaling with increasing number of monomers is minimized in Protein Folding Problem with the help of Quantum Computing. For this project i am just simulating the quantum environment on a classical computer and i have to not use real quantum hardware.
I chose very simple HP Protein Model on a 2d square lattice.
Then a came up with a Hamiltonian that is classical, it gives higher values for conformations having 'less no. of H-H neighbours' and if the random walk is not 'self avoiding' and lower values otherwise.
I have employed VQE algorithmn wherein a ansatz is created which looks like this (this is 4 layered ansatz)
Then expectation value is calculated
<ψ|H|ψ>
<
𝜓
|
𝐻
|
𝜓
>
and this value is optimised using 'Nelder-Mead' method with max iteration being 2000 and tolerence is 10^(-4)
The Problem
The Problem
The optimisation is even slower than classical computer speed, with a length of just 8 monomers took more than 30 minutes to complete with 4 layers of ansatzs while this generally takes few seconds (using monte carlo method) in classical computer.
As no. of layers is increased in ansatz the speed decreases drastically and even the accuracy, the optimiser gets stuck in local minima. Which is the main problem beacause i expected the opposite to happen, i.e more parameters faster convergence.. Heres a plot
I am stuck for days..What i am doing wrong? Or is this supposed to work this way? DO i need to change the optimiser and find a better ansatz suitable for protein folding problem?
qiskitvqe
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asked 2 hours ago
SHINU_MADE
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The optimisation cannot be lower than a classical computer because quantum computers can emulate classical computers. –
Whiter Fox
Commented
1 hour ago
I can understand that the true quantum speed is realised on quantum hardware, but idk why on increasing layers, computing time increases. –
SHINU_MADE
Commented
1 hour ago
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