ucc derivative

UCC.ipynb

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+{
+ "cells": [
+  {
+   "cell_type": "code",
+   "execution_count": 33,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/html": [
+       "<pre style=\"word-wrap: normal;white-space: pre;background: #fff0;line-height: 1.1;font-family: &quot;Courier New&quot;,Courier,monospace\">     ┌───┐┌────────────────────┐┌────────────────────┐┌────────────────────┐\n",
+       "q_0: ┤ X ├┤0                   ├┤0                   ├┤0                   ├\n",
+       "     └───┘│                    ││                    ││                    │\n",
+       "q_1: ─────┤1                   ├┤1                   ├┤1                   ├\n",
+       "          │  Evolution^1(x[0]) ││  Evolution^1(x[1]) ││  Evolution^1(x[2]) │\n",
+       "q_2: ─────┤2                   ├┤2                   ├┤2                   ├\n",
+       "          │                    ││                    ││                    │\n",
+       "q_3: ─────┤3                   ├┤3                   ├┤3                   ├\n",
+       "          └────────────────────┘└────────────────────┘└────────────────────┘</pre>"
+      ],
+      "text/plain": [
+       "     ┌───┐┌────────────────────┐┌────────────────────┐┌────────────────────┐\n",
+       "q_0: ┤ X ├┤0                   ├┤0                   ├┤0                   ├\n",
+       "     └───┘│                    ││                    ││                    │\n",
+       "q_1: ─────┤1                   ├┤1                   ├┤1                   ├\n",
+       "          │  Evolution^1(x[0]) ││  Evolution^1(x[1]) ││  Evolution^1(x[2]) │\n",
+       "q_2: ─────┤2                   ├┤2                   ├┤2                   ├\n",
+       "          │                    ││                    ││                    │\n",
+       "q_3: ─────┤3                   ├┤3                   ├┤3                   ├\n",
+       "          └────────────────────┘└────────────────────┘└────────────────────┘"
+      ]
+     },
+     "execution_count": 33,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "import numpy as np\n",
+    "from qiskit.quantum_info import Statevector\n",
+    "from qiskit.circuit import ParameterVector\n",
+    "from qiskit.chemistry.components.variational_forms import UCCSD\n",
+    "\n",
+    "x = ParameterVector('x', 3)\n",
+    "uvcc_varform = UCCSD(4, 2, qubit_mapping = 'jordan_wigner', two_qubit_reduction=False)\n",
+    "circuit = QuantumCircuit(4)\n",
+    "circuit.x(0)  # initial state\n",
+    "circuit.compose(uvcc_varform.construct_circuit(x), inplace=True)  # add UCC ansatz\n",
+    "circuit.draw()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 42,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# param shift rule\n",
+    "finite_difference = True \n",
+    "shift = 0.1\n",
+    "gradient_circuits = {}\n",
+    "point = {x_i: np.random.random(1)[0] for x_i in x}\n",
+    "for x_i in x:\n",
+    "    # shifted parameters\n",
+    "    plus = circuit.bind_parameters({x_j: point_j + shift * int(x_i == x_j) for x_j, point_j in point.items()})\n",
+    "    minus = circuit.bind_parameters({x_j: point_j - shift * int(x_i == x_j) for x_j, point_j in point.items()})\n",
+    "    gradient_circuits[x_i] = (plus, minus)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 44,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "x[0] [-0.  +0.j -0.02+0.j  1.  -0.j -0.  +0.j  0.  -0.j -0.  +0.j -0.  +0.j\n",
+      " -0.  -0.j -0.  +0.j -0.  +0.j -0.  +0.j  0.  -0.j  0.  -0.j -0.  -0.j\n",
+      "  0.  +0.j -0.  -0.j]\n",
+      "x[1] [ 0.-0.j -0.-0.j  0.-0.j -0.+0.j  0.+0.j  0.-0.j  0.-0.j  0.+0.j -0.+0.j\n",
+      " -0.+0.j -0.-0.j -0.+0.j -0.-0.j -0.+0.j  0.+0.j  0.+0.j]\n",
+      "x[2] [-0.-0.j -0.+0.j -0.+0.j -0.+0.j -0.-0.j -0.-0.j  0.+0.j  0.+0.j -0.-0.j\n",
+      "  0.+0.j -0.-0.j -0.+0.j  0.+0.j  0.-0.j  0.+0.j -0.+0.j]\n"
+     ]
+    }
+   ],
+   "source": [
+    "for x_i, (plus, minus) in gradient_circuits.items():\n",
+    "    # print(plus.draw())\n",
+    "    # print(minus.draw())\n",
+    "    difference = Statevector.from_instruction(plus) - Statevector.from_instruction(minus)\n",
+    "    if finite_difference:\n",
+    "        difference /= 2 * shift\n",
+    "    print(x_i, np.round(difference.data, 2))"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": []
+  }
+ ],
+ "metadata": {
+  "kernelspec": {
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+  "language_info": {
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+ "nbformat": 4,
+ "nbformat_minor": 2
+}