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community/QClass_2024/Submissions/HW3/Noah_Nzeki_William_HW3_VQE.ipynb
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{ | ||
"cells": [ | ||
{ | ||
"cell_type": "markdown", | ||
"id": "fc72d98f-8993-4bd4-a545-23d122f3df71", | ||
"metadata": {}, | ||
"source": [ | ||
"# H₂ Molecule Homework Assignment\n", | ||
"### Quantum Software Development Journey: From Theory to Application with Classiq - Part 3\n", | ||
"\n", | ||
"- Similarly to what we have done in class, in this exercise we will implement the VQE on H2 molecule.\n", | ||
"- This time instead of using the built-in methods and functions (such as `Molecule` and `MoleculeProblem`) to difne and solve the problem, you will be provided with a two qubits Hamiltonian." | ||
] | ||
}, | ||
{ | ||
"cell_type": "markdown", | ||
"id": "56eda6d8-76c4-4862-b914-0c4598d67274", | ||
"metadata": {}, | ||
"source": [ | ||
"## Submission\n", | ||
"- Submit the completed Jupyter notebook and report via GitHub. Ensure all files are correctly named and organized.\n", | ||
"- Use the Typeform link provided in the submission folder to confirm your submission.\n", | ||
"\n", | ||
"## Additional Resources\n", | ||
"- [Classiq Documentation](https://docs.classiq.io/latest/)\n", | ||
"- The notebook from live session #3\n", | ||
"\n", | ||
"## Important Dates\n", | ||
"- **Assignment Release:** 22.5.2024\n", | ||
"- **Submission Deadline:** 3.6.2024 (7 A.M GMT+3)\n", | ||
"\n", | ||
"---\n", | ||
"\n", | ||
"Happy coding and good luck!" | ||
] | ||
}, | ||
{ | ||
"cell_type": "markdown", | ||
"id": "d41e969d-f6a7-4ff7-9660-19ce6c97ba6b", | ||
"metadata": {}, | ||
"source": [ | ||
"### Part 1" | ||
] | ||
}, | ||
{ | ||
"cell_type": "markdown", | ||
"id": "f710d6f4-d40b-42d5-b524-c6acb8059fe2", | ||
"metadata": {}, | ||
"source": [ | ||
"Given the following Hamiltonian:" | ||
] | ||
}, | ||
{ | ||
"cell_type": "markdown", | ||
"id": "6ba8a6f1-3259-4492-a1ca-3abde7530cd4", | ||
"metadata": {}, | ||
"source": [ | ||
"$$\n", | ||
"\\hat{H} = -1.0523 \\cdot (I \\otimes I) + 0.3979 \\cdot (I \\otimes Z) - 0.3979 \\cdot (Z \\otimes I) - 0.0112 \\cdot (Z \\otimes Z) + 0.1809 \\cdot (X \\otimes X)\n", | ||
"$$" | ||
] | ||
}, | ||
{ | ||
"cell_type": "markdown", | ||
"id": "736d275c-9a5a-4c08-b891-3078430dc6c1", | ||
"metadata": {}, | ||
"source": [ | ||
"Complete the following code" | ||
] | ||
}, | ||
{ | ||
"cell_type": "code", | ||
"execution_count": 1, | ||
"id": "19266c11-6acc-4edb-910f-2d0dfe80a6c8", | ||
"metadata": {}, | ||
"outputs": [], | ||
"source": [ | ||
"from typing import List\n", | ||
"from classiq import *\n", | ||
"\n", | ||
"HAMILTONIAN = QConstant(\"HAMILTONIAN\", List[PauliTerm], #[...]) #TODO: Complete Hamiltonian\n", | ||
" [ \n", | ||
" PauliTerm([Pauli.I, Pauli.I], -1.0523),\n", | ||
" PauliTerm([Pauli.I, Pauli.Z], 0.3979),\n", | ||
" PauliTerm([Pauli.Z, Pauli.I], -0.3979),\n", | ||
" PauliTerm([Pauli.Z, Pauli.Z], -0.0112),\n", | ||
" PauliTerm([Pauli.X, Pauli.X], 0.1809)])\n" | ||
] | ||
}, | ||
{ | ||
"cell_type": "code", | ||
"execution_count": 2, | ||
"id": "0bb68899-2076-45c0-8868-131f38aa3b78", | ||
"metadata": {}, | ||
"outputs": [ | ||
{ | ||
"name": "stdout", | ||
"output_type": "stream", | ||
"text": [ | ||
"Opening: https://platform.classiq.io/circuit/53712c40-3bc3-46d5-a5a4-fe4b3a2aa001?version=0.42.0\n" | ||
] | ||
} | ||
], | ||
"source": [ | ||
"@qfunc\n", | ||
"def main(q: Output[QArray[QBit]], angles: CArray[CReal, 3]) -> None:\n", | ||
" # TODO: Create an ansatz which allows each qubit to have arbitrary rotation\n", | ||
" \n", | ||
" allocate(2, q) \n", | ||
" U(angles[0], angles[1], angles[2], 0, q[0]) \n", | ||
" U(angles[0], angles[1], angles[2], 0, q[1]) \n", | ||
"\n", | ||
"@cfunc\n", | ||
"def cmain() -> None:\n", | ||
" res = vqe(\n", | ||
" HAMILTONIAN, #.TODO: complete the missing argument\n", | ||
" False,\n", | ||
" [],\n", | ||
" optimizer=Optimizer.COBYLA,\n", | ||
" max_iteration=1000,\n", | ||
" tolerance=0.001,\n", | ||
" step_size=0,\n", | ||
" skip_compute_variance=False,\n", | ||
" alpha_cvar=1.0,\n", | ||
" )\n", | ||
" save({\"result\": res})\n", | ||
"\n", | ||
"qmod = create_model(main, classical_execution_function=cmain) #TODO: complete the line, use classical_execution_function\n", | ||
"qprog = synthesize(qmod)\n", | ||
"show(qprog)" | ||
] | ||
}, | ||
{ | ||
"cell_type": "code", | ||
"execution_count": 3, | ||
"id": "0563c1a8-7aec-4da9-9105-6b16c5c24382", | ||
"metadata": {}, | ||
"outputs": [], | ||
"source": [ | ||
"execution = execute(qprog)\n", | ||
"res = execution.result()\n", | ||
"#execution.open_in_ide()\n", | ||
"vqe_result = res[0].value #TODO: complete the line" | ||
] | ||
}, | ||
{ | ||
"cell_type": "code", | ||
"execution_count": 4, | ||
"id": "de17cfc0-8e64-4493-b4c2-4a97fc9797a0", | ||
"metadata": { | ||
"scrolled": true | ||
}, | ||
"outputs": [ | ||
{ | ||
"name": "stdout", | ||
"output_type": "stream", | ||
"text": [ | ||
"Optimal energy: -1.06419619140625\n", | ||
"Optimal parameters: {'angles_0': 6.111236674714585, 'angles_1': -0.887265255532695, 'angles_2': 3.112766526311032}\n", | ||
"Eigenstate: {'01': (0.09110862335695782+0j), '10': (0.09110862335695782+0j), '00': (0.9916644782889019+0j)}\n" | ||
] | ||
} | ||
], | ||
"source": [ | ||
"print(f\"Optimal energy: {vqe_result.energy}\")\n", | ||
"print(f\"Optimal parameters: {vqe_result.optimal_parameters}\")\n", | ||
"print(f\"Eigenstate: {vqe_result.eigenstate}\")" | ||
] | ||
}, | ||
{ | ||
"cell_type": "markdown", | ||
"id": "5df11dfc-3e3a-4191-bd47-d522ca3dcbfa", | ||
"metadata": {}, | ||
"source": [ | ||
"Does it similar to the `optimal energy` we calculated in class? \\\n", | ||
"Does it similar to the `total energy` we calculated in class?" | ||
] | ||
}, | ||
{ | ||
"cell_type": "markdown", | ||
"id": "4f0e0bea-b12f-43ad-94e8-100fedf2b57f", | ||
"metadata": {}, | ||
"source": [ | ||
"### Part 2" | ||
] | ||
}, | ||
{ | ||
"cell_type": "markdown", | ||
"id": "66882248-de08-4a6e-b33c-647f015f7d79", | ||
"metadata": {}, | ||
"source": [ | ||
"**Now, we want to have a more interesting ansatz in our `main`.** \n", | ||
"Add **one** line of code to the `main` function you created in Part 1 that creates **entanglement** between the two qubits. \n", | ||
"Which gate should you use?" | ||
] | ||
}, | ||
{ | ||
"cell_type": "code", | ||
"execution_count": 5, | ||
"id": "bb39be9e-4994-44e5-84d8-c99bc8b77145", | ||
"metadata": {}, | ||
"outputs": [ | ||
{ | ||
"name": "stdout", | ||
"output_type": "stream", | ||
"text": [ | ||
"Opening: https://platform.classiq.io/circuit/1d523274-b861-41f3-9ad1-62c8d76927de?version=0.42.0\n" | ||
] | ||
} | ||
], | ||
"source": [ | ||
"@qfunc\n", | ||
"def main(q: Output[QArray[QBit]], angles: CArray[CReal, 3]) -> None:\n", | ||
" # TODO: Create an ansatz which allows each qubit to have arbitrary rotation\n", | ||
" \n", | ||
" allocate(2, q) \n", | ||
" U(angles[0], angles[1], angles[2], 0, q[0]) \n", | ||
" U(angles[0], angles[1], angles[2], 0, q[1]) \n", | ||
" CX(q[1],q[0])\n", | ||
"\n", | ||
"@cfunc\n", | ||
"def cmain() -> None:\n", | ||
" res = vqe(\n", | ||
" HAMILTONIAN, # TODO: complete the missing argument\n", | ||
" False,\n", | ||
" [],\n", | ||
" optimizer=Optimizer.COBYLA,\n", | ||
" max_iteration=1000,\n", | ||
" tolerance=0.001,\n", | ||
" step_size=0,\n", | ||
" skip_compute_variance=False,\n", | ||
" alpha_cvar=1.0,\n", | ||
" )\n", | ||
" save({\"result\": res})\n", | ||
"\n", | ||
"qmod = create_model(main, classical_execution_function=cmain) #TODO: complete the line, use classical_execution_function\n", | ||
"qprog = synthesize(qmod)\n", | ||
"show(qprog)" | ||
] | ||
}, | ||
{ | ||
"cell_type": "code", | ||
"execution_count": 6, | ||
"id": "112a1590-283c-4f79-8035-72936561102d", | ||
"metadata": {}, | ||
"outputs": [ | ||
{ | ||
"name": "stdout", | ||
"output_type": "stream", | ||
"text": [ | ||
"Opening in existing browser session.\n", | ||
"Opening in existing browser session.\n" | ||
] | ||
} | ||
], | ||
"source": [ | ||
"execution = execute(qprog)\n", | ||
"res = execution.result()\n", | ||
"# execution.open_in_ide()\n", | ||
"vqe_result = res[0].value #TODO: complete the line" | ||
] | ||
}, | ||
{ | ||
"cell_type": "code", | ||
"execution_count": 7, | ||
"id": "06500e4c-a04b-4cfa-a84d-41f96a0c68eb", | ||
"metadata": {}, | ||
"outputs": [ | ||
{ | ||
"name": "stdout", | ||
"output_type": "stream", | ||
"text": [ | ||
"Optimal energy: -1.311106640625\n", | ||
"Optimal parameters: {'angles_0': 5.243383358664046, 'angles_1': -0.362281429584872, 'angles_2': -3.9155584047002607}\n", | ||
"Eigenstate: {'01': (0.4215855488510013+0j), '11': (0.4250459533979826+0j), '10': (0.2548360379734389+0j), '00': (0.7593814300139292+0j)}\n" | ||
] | ||
} | ||
], | ||
"source": [ | ||
"print(f\"Optimal energy: {vqe_result.energy}\")\n", | ||
"print(f\"Optimal parameters: {vqe_result.optimal_parameters}\")\n", | ||
"print(f\"Eigenstate: {vqe_result.eigenstate}\")" | ||
] | ||
}, | ||
{ | ||
"cell_type": "markdown", | ||
"id": "30a635d7-2f15-4c94-a94b-f4270f17aed8", | ||
"metadata": {}, | ||
"source": [ | ||
"Does it similar to the `optimal energy` we calculated in class? \\\n", | ||
"Does it similar to the `total energy` we calculated in class? \\\n", | ||
"What can we learn about the provided form this result Hamiltonian?" | ||
] | ||
} | ||
], | ||
"metadata": { | ||
"kernelspec": { | ||
"display_name": "Python 3 (ipykernel)", | ||
"language": "python", | ||
"name": "python3" | ||
}, | ||
"language_info": { | ||
"codemirror_mode": { | ||
"name": "ipython", | ||
"version": 3 | ||
}, | ||
"file_extension": ".py", | ||
"mimetype": "text/x-python", | ||
"name": "python", | ||
"nbconvert_exporter": "python", | ||
"pygments_lexer": "ipython3", | ||
"version": "3.10.12" | ||
} | ||
}, | ||
"nbformat": 4, | ||
"nbformat_minor": 5 | ||
} |