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Add files via upload #3

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May 1, 2023
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Add files via upload #3

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34 changes: 20 additions & 14 deletions Electronic_structure_problem_vqe_derandomized_classical_shadow.ipynb
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Original file line number Diff line number Diff line change
Expand Up @@ -2,10 +2,18 @@
"cells": [
{
"cell_type": "code",
"execution_count": 1,
"execution_count": 2,
"id": "74dcd404",
"metadata": {},
"outputs": [
{
"name": "stderr",
"output_type": "stream",
"text": [
"/home/renata/.local/lib/python3.8/site-packages/pyscf/lib/misc.py:46: H5pyDeprecationWarning: Using default_file_mode other than 'r' is deprecated. Pass the mode to h5py.File() instead.\n",
" h5py.get_config().default_file_mode = 'a'\n"
]
},
{
"name": "stdout",
"output_type": "stream",
Expand All @@ -31,8 +39,6 @@
"name": "stderr",
"output_type": "stream",
"text": [
"/home/renata/.local/lib/python3.8/site-packages/pyscf/lib/misc.py:46: H5pyDeprecationWarning: Using default_file_mode other than 'r' is deprecated. Pass the mode to h5py.File() instead.\n",
" h5py.get_config().default_file_mode = 'a'\n",
"/home/renata/.local/lib/python3.8/site-packages/qiskit_nature/deprecation.py:297: PauliSumOpDeprecationWarning: PauliSumOp is deprecated as of version 0.6.0 and support for them will be removed no sooner than 3 months after the release. Instead, use SparsePauliOp. You can switch to SparsePauliOp immediately, by setting `qiskit_nature.settings.use_pauli_sum_op` to `False`.\n",
" return func(*args, **kwargs)\n"
]
Expand Down Expand Up @@ -101,7 +107,7 @@
},
{
"cell_type": "code",
"execution_count": 2,
"execution_count": 3,
"id": "0b205cb1",
"metadata": {},
"outputs": [
Expand Down Expand Up @@ -166,7 +172,7 @@
},
{
"cell_type": "code",
"execution_count": 3,
"execution_count": 4,
"id": "265d3af8",
"metadata": {},
"outputs": [
Expand All @@ -177,7 +183,7 @@
"<Figure size 447.797x264.88 with 1 Axes>"
]
},
"execution_count": 3,
"execution_count": 4,
"metadata": {},
"output_type": "execute_result"
}
Expand All @@ -198,15 +204,15 @@
},
{
"cell_type": "code",
"execution_count": 4,
"execution_count": 6,
"id": "7d6bb9d4",
"metadata": {},
"outputs": [
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"name": "stdout",
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"text": [
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]
}
],
Expand All @@ -218,7 +224,7 @@
"from derand.data_acquisition_shadow import derandomized_classical_shadow\n",
"from derand.prediction_shadow import estimate_exp\n",
"\n",
"num_obs_evals = 10 # 67 is selected in order to give ca. 1K Pauli operators. \n",
"num_obs_evals = 6 # 67 is selected in order to give ca. 1K Pauli operators. \n",
"\n",
"derandomized_hamiltonian = derandomized_classical_shadow(hamiltonian_terms, \n",
" num_obs_evals, system_size, weight=weights)\n",
Expand All @@ -228,7 +234,7 @@
},
{
"cell_type": "code",
"execution_count": 5,
"execution_count": 7,
"id": "d5f6e337",
"metadata": {},
"outputs": [],
Expand Down Expand Up @@ -303,16 +309,16 @@
},
{
"cell_type": "code",
"execution_count": 6,
"execution_count": 8,
"id": "f3a28120",
"metadata": {},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"GROUND STATE ENERGY FOUND = 0.3658000991243368\n",
"Execution time = 00:20:16\n"
"GROUND STATE ENERGY FOUND = -0.055822143188909094\n",
"Execution time = 00:02:14\n"
]
}
],
Expand Down Expand Up @@ -359,7 +365,7 @@
"name": "stdout",
"output_type": "stream",
"text": [
"The average root-mean-squared error for derandomized classical shadow: 2.2258000991243367\n"
"The average root-mean-squared error for derandomized classical shadow: 1.804177856811091\n"
]
}
],
Expand Down