From c45fff25eabb2e697664b32b12217a919d98959f Mon Sep 17 00:00:00 2001 From: Dibyendu-IITKGP Date: Mon, 2 Dec 2024 12:08:05 +0000 Subject: [PATCH] old file deleted --- .../notebooks/importing_cycler_data_old.ipynb | 67729 ---------------- 1 file changed, 67729 deletions(-) delete mode 100644 examples/notebooks/importing_cycler_data_old.ipynb diff --git a/examples/notebooks/importing_cycler_data_old.ipynb b/examples/notebooks/importing_cycler_data_old.ipynb deleted file mode 100644 index 42d8487e..00000000 --- a/examples/notebooks/importing_cycler_data_old.ipynb +++ /dev/null @@ -1,67729 +0,0 @@ -{ - "cells": [ - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "# Loading Battery Cycler Data to PyBOP\n", - "\n", - "This notebook provides example on how to load battery cycler data without any pre-processing and save it so that this data can be used to run simulations using PyBOP.\n", - "\n", - "### Setting up the Environment\n", - "\n", - "Before we begin, we need to ensure that we have all the necessary tools. In this example, we use Battery Data Toolkit to load cycler data. More information can be found here: https://github.com/ROVI-org/battery-data-toolkit." - ] - }, - { - "cell_type": "code", - "execution_count": 6, - "metadata": {}, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "\u001b[31mERROR: pip's dependency resolver does not currently take into account all the packages that are installed. This behaviour is the source of the following dependency conflicts.\n", - "emmontopy 0.7.1 requires pandas<2.2,>=1.2, but you have pandas 2.2.3 which is incompatible.\u001b[0m\u001b[31m\n", - "\u001b[0mNote: you may need to restart the kernel to use updated packages.\n", - "Note: you may need to restart the kernel to use updated packages.\n", - "Note: you may need to restart the kernel to use updated packages.\n" - ] - } - ], - "source": [ - "%pip install --upgrade pip ipywidgets openpyxl pandas -q\n", - "%pip install pybop -q\n", - "#%pip uninstall bpx\n", - "\n", - "%pip install battery-data-toolkit -q\n", - "\n", - "import numpy as np\n", - "import plotly.graph_objects as go\n", - "import plotly.offline as pyo\n", - "import pybamm\n", - "from batdata.data import BatteryDataset\n", - "\n", - "import pybop" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "In this example, we use battery cycler data from Logan Ward et al. Please refer to DOI: 10.18126/fdxq-7yul for more details. The data is in H5 format. An H5 is one of the Hierarchical Data Formats (HDF) used to store large amount of data in the form of multidimensional arrays." - ] - }, - { - "cell_type": "code", - "execution_count": 7, - "metadata": {}, - "outputs": [], - "source": [ - "data_path = r\"../data/cycler_data/batch_B6D_cell_6.h5\"\n", - "dataset = BatteryDataset.from_batdata_hdf(data_path)" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "To see the metadata which contains cell details, batch information etc., we can use the following commnad." - ] - }, - { - "cell_type": "code", - "execution_count": 8, - "metadata": {}, - "outputs": [ - { - "data": { - "text/plain": [ - "{'name': 'CAMP_batch_B6D_cell_6',\n", - " 'battery': {'layer_count': 13,\n", - " 'anode': {'name': 'C',\n", - " 'supplier': 'Commercial',\n", - " 'product': 'Graphite',\n", - " 'thickness': 100.0,\n", - " 'loading': 7.3,\n", - " 'porosity': 33.0},\n", - " 'cathode': {'name': 'NMC111',\n", - " 'supplier': 'Commercial',\n", - " 'thickness': 67.0,\n", - " 'area': 169.2,\n", - " 'loading': 15.21,\n", - " 'porosity': 29.0},\n", - " 'electrolyte': {'name': 'Gen 2'},\n", - " 'nominal_capacity': 0.3},\n", - " 'dataset_name': 'camp_2023',\n", - " 'authors': [('Logan', 'Ward'),\n", - " ('Joseph', 'Kubal'),\n", - " ('Susan J.', 'Babinec'),\n", - " ('Wenquan', 'Lu'),\n", - " ('Allison', 'Dunlop'),\n", - " ('Steve', 'Trask'),\n", - " ('Andrew', 'Jansen'),\n", - " ('Noah H.', 'Paulson')],\n", - " 'associated_ids': [Url('https://doi.org/10.1016/j.jpowsour.2022.231127')]}" - ] - }, - "execution_count": 8, - "metadata": {}, - "output_type": "execute_result" - } - ], - "source": [ - "dataset.metadata.model_dump(exclude_defaults=True)" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "The following code block gives a summary of the cycle statistics." - ] - }, - { - "cell_type": "code", - "execution_count": 9, - "metadata": {}, - "outputs": [ - { - "data": { - "text/html": [ - "
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cycle_numberenergy_chargecapacity_chargeenergy_dischargecapacity_dischargecycle_startcycle_duration
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221.0905460.2992511.1230873.011855e-0142331.87843509.642
331.0893390.2989221.1200733.003821e-0185841.52043427.832
441.0406520.2878741.1203982.975029e-01129269.35217396.970
........................
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" - ], - "text/plain": [ - " cycle_number energy_charge capacity_charge energy_discharge \\\n", - "0 0 0.000000 0.000000 0.000001 \n", - "1 1 1.091499 0.299519 1.064703 \n", - "2 2 1.090546 0.299251 1.123087 \n", - "3 3 1.089339 0.298922 1.120073 \n", - "4 4 1.040652 0.287874 1.120398 \n", - ".. ... ... ... ... \n", - "214 214 0.278841 0.088494 0.344245 \n", - "215 215 0.288119 0.091488 0.355268 \n", - "216 216 0.226854 0.076921 0.364280 \n", - "217 217 0.292792 0.104235 0.322057 \n", - "218 218 0.014962 0.007091 0.000000 \n", - "\n", - " capacity_discharge cycle_start cycle_duration \n", - "0 4.253452e-07 0.000 120.060 \n", - "1 2.829004e-01 120.060 42211.818 \n", - "2 3.011855e-01 42331.878 43509.642 \n", - "3 3.003821e-01 85841.520 43427.832 \n", - "4 2.975029e-01 129269.352 17396.970 \n", - ".. ... ... ... \n", - "214 8.650017e-02 3445507.056 5722.188 \n", - "215 8.930149e-02 3451229.244 5900.148 \n", - "216 9.159989e-02 3457129.392 7978.644 \n", - "217 7.880164e-02 3465108.036 43793.880 \n", - "218 0.000000e+00 3508901.916 381948.630 \n", - "\n", - "[219 rows x 7 columns]" - ] - }, - "execution_count": 9, - "metadata": {}, - "output_type": "execute_result" - } - ], - "source": [ - "dataset.cycle_stats" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "Now from the raw data, we can extract necessary parameters that we will use later in PyBOP. In this case, we are interested to save time, current, and voltage data." - ] - }, - { - "cell_type": "code", - "execution_count": 10, - "metadata": {}, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - " cycle_number file_number test_time state current voltage \\\n", - "0 0 0 0.000 hold -0.0 3.425956 \n", - "1 0 0 10.002 hold -0.0 3.426413 \n", - "2 0 0 19.998 hold -0.0 3.426261 \n", - "3 0 0 30.000 hold -0.0 3.426566 \n", - "4 0 0 40.002 hold -0.0 3.426566 \n", - "... ... ... ... ... ... ... \n", - "33011 218 4 3887383.206 hold -0.0 2.689250 \n", - "33012 218 4 3888583.206 hold -0.0 2.689555 \n", - "33013 218 4 3889783.206 hold -0.0 2.689555 \n", - "33014 218 4 3890850.546 hold -0.0 2.689860 \n", - "33015 218 4 3890850.546 unknown -0.0 2.689708 \n", - "\n", - " step_index method substep_index cycle_capacity cycle_energy \n", - "0 0 rest 0 0.000000 0.000000 \n", - "1 0 rest 0 -0.000000 -0.000000 \n", - "2 0 rest 0 -0.000000 -0.000000 \n", - "3 0 rest 0 -0.000000 -0.000000 \n", - "4 0 rest 0 -0.000000 -0.000000 \n", - "... ... ... ... ... ... \n", - "33011 2 rest 3 0.007091 0.014962 \n", - "33012 2 rest 3 0.007091 0.014962 \n", - "33013 2 rest 3 0.007091 0.014962 \n", - "33014 2 rest 3 0.007091 0.014962 \n", - "33015 3 short_nonrest 4 0.007091 0.014962 \n", - "\n", - "[33016 rows x 11 columns]\n" - ] - } - ], - "source": [ - "# loading the raw data\n", - "df = dataset.raw_data\n", - "\n", - "# peeping in the raw data to know the column names\n", - "print(df)\n", - "\n", - "# extracting time, current, and voltage from the data\n", - "time = df[\"test_time\"]\n", - "current = df[\"current\"]\n", - "voltage = df[\"voltage\"]" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "Let's create an interactive plot to see how current varies with time. Only first 10000 data points are shown to reduce the file size. Users can customize this as per their need." - ] - }, - { - "cell_type": "code", - "execution_count": 11, - "metadata": {}, - "outputs": [ - { - "data": { - "application/vnd.plotly.v1+json": { - "config": { - "linkText": "Export to plot.ly", - "plotlyServerURL": "https://plot.ly", - "showLink": false - }, - "data": [ - { - "line": { - "color": "blue" - }, - "mode": "lines+markers", - "name": "Current", - "type": "scatter", - "x": [ - 0, - 10.001999999999999, - 19.997999999999998, - 30, - 40.001999999999995, - 49.998000000000005, - 60, - 70.00200000000001, - 79.99799999999999, - 90, - 100.00200000000001, - 109.99799999999999, - 120, - 120.05999999999999, - 157.35, - 254.70000000000002, - 417.71999999999997, - 717.72, - 1017.72, - 1317.72, - 1617.72, - 1917.72, - 2217.7200000000003, - 2517.7200000000003, - 2817.7200000000003, - 3117.7200000000003, - 3417.7200000000003, - 3717.7200000000003, - 4017.7200000000003, - 4317.72, - 4617.72, - 4917.72, - 5217.72, - 5517.72, - 5817.72, - 6117.72, - 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"linecolor": "white", - "showbackground": true, - "ticks": "", - "zerolinecolor": "white" - } - }, - "shapedefaults": { - "line": { - "color": "#2a3f5f" - } - }, - "ternary": { - "aaxis": { - "gridcolor": "white", - "linecolor": "white", - "ticks": "" - }, - "baxis": { - "gridcolor": "white", - "linecolor": "white", - "ticks": "" - }, - "bgcolor": "#E5ECF6", - "caxis": { - "gridcolor": "white", - "linecolor": "white", - "ticks": "" - } - }, - "title": { - "x": 0.05 - }, - "xaxis": { - "automargin": true, - "gridcolor": "white", - "linecolor": "white", - "ticks": "", - "title": { - "standoff": 15 - }, - "zerolinecolor": "white", - "zerolinewidth": 2 - }, - "yaxis": { - "automargin": true, - "gridcolor": "white", - "linecolor": "white", - "ticks": "", - "title": { - "standoff": 15 - }, - "zerolinecolor": "white", - "zerolinewidth": 2 - } - } - }, - "title": { - "text": "Current vs Time" - }, - "xaxis": { - "title": { - "text": "Time (s)" - } - }, - "yaxis": { - "title": { - "text": "Current (A)" - } - } - } - } - }, - "metadata": {}, - "output_type": "display_data" - } - ], - "source": [ - "# To see current vs time profile.\n", - "# Create traces for current and voltage\n", - "\n", - "datapoints = 10000\n", - "\n", - "trace1 = go.Scatter(\n", - " x=time[0:datapoints],\n", - " y=current[0:datapoints],\n", - " mode=\"lines+markers\",\n", - " name=\"Current\",\n", - " line=dict(color=\"blue\"),\n", - ")\n", - "\n", - "######################################################\n", - "# Plot current\n", - "data = [trace1]\n", - "\n", - "# Define the layout\n", - "layout = go.Layout(\n", - " title=\"Current vs Time\",\n", - " xaxis=dict(title=\"Time (s)\"),\n", - " yaxis=dict(title=\"Current (A)\"),\n", - " legend=dict(x=0, y=1), # Legend position\n", - ")\n", - "######################################################\n", - "\n", - "# Create the figure\n", - "fig = go.Figure(data=data, layout=layout)\n", - "\n", - "# Plot the figure\n", - "pyo.iplot(fig)" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "Now we create voltage vs time interactive plot for the same number of data points." - ] - }, - { - "cell_type": "code", - "execution_count": 12, - "metadata": {}, - "outputs": [ - { - "data": { - "application/vnd.plotly.v1+json": { - "config": { - "linkText": "Export to plot.ly", - "plotlyServerURL": "https://plot.ly", - "showLink": false - }, - "data": [ - { - "line": { - "color": "red" - }, - "mode": "lines+markers", - "name": "Voltage", - "type": "scatter", - "x": [ - 0, - 10.001999999999999, - 19.997999999999998, - 30, - 40.001999999999995, - 49.998000000000005, - 60, - 70.00200000000001, - 79.99799999999999, - 90, - 100.00200000000001, - 109.99799999999999, - 120, - 120.05999999999999, - 157.35, - 254.70000000000002, - 417.71999999999997, - 717.72, - 1017.72, - 1317.72, - 1617.72, - 1917.72, - 2217.7200000000003, - 2517.7200000000003, - 2817.7200000000003, - 3117.7200000000003, - 3417.7200000000003, - 3717.7200000000003, - 4017.7200000000003, - 4317.72, - 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"\n", - "# Define the layout\n", - "layout = go.Layout(\n", - " title=\"Voltage vs Time\",\n", - " xaxis=dict(title=\"Time (s)\"),\n", - " yaxis=dict(title=\"Voltage (V)\"),\n", - " legend=dict(x=0, y=1), # Legend position\n", - ")\n", - "######################################################\n", - "\n", - "# Create the figure\n", - "fig = go.Figure(data=data, layout=layout)\n", - "\n", - "# Plot the figure\n", - "pyo.iplot(fig) # Use pyo.plot(fig) to save as an HTML file" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "Now we will save time, current, and voltage data in the form of a compressed numpy array." - ] - }, - { - "cell_type": "code", - "execution_count": 13, - "metadata": {}, - "outputs": [], - "source": [ - "# save time, current, and voltage to a numpy file\n", - "np.savez_compressed(\n", - " \"../data/cycler_data/time_current_voltage.npz\",\n", - " time=time,\n", - " current=current,\n", - " voltage=voltage,\n", - ")" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "Import the saved time, current, and voltage data." - ] - }, - { - "cell_type": "code", - "execution_count": 14, - "metadata": {}, - "outputs": [], - "source": [ - "# Load the SOC and OCV data from the previously saved numpy file\n", - "data = np.load(\"../data/cycler_data/time_current_voltage.npz\")\n", - "time = data[\"time\"]\n", - "current = data[\"current\"]\n", - "voltage = data[\"voltage\"]" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "From the data, we now choose an HPPC pulse. 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} - }, - "yaxis2": { - "overlaying": "y", - "side": "right", - "tickfont": { - "color": "red" - }, - "title": { - "font": { - "color": "red" - }, - "text": "Voltage (V)" - } - } - } - } - }, - "metadata": {}, - "output_type": "display_data" - } - ], - "source": [ - "# Visualizing current and voltage profiles\n", - "\n", - "# Create traces for current and voltage\n", - "trace1 = go.Scatter(\n", - " x=time[start_index:end_index],\n", - " y=current[start_index:end_index],\n", - " mode=\"lines+markers\",\n", - " name=\"Current\",\n", - " line=dict(color=\"blue\"),\n", - " yaxis=\"y1\",\n", - ")\n", - "\n", - "trace2 = go.Scatter(\n", - " x=time[start_index:end_index],\n", - " y=voltage[start_index:end_index],\n", - " mode=\"lines+markers\",\n", - " name=\"Voltage\",\n", - " line=dict(color=\"red\"),\n", - " yaxis=\"y2\",\n", - ")\n", - "\n", - "data = [trace1, trace2]\n", - "\n", - "# Define the layout\n", - "layout = go.Layout(\n", - " title=\"Current and Voltage vs Time\",\n", - " xaxis=dict(title=\"Time (s)\"),\n", - " yaxis=dict(\n", - " title=\"Current (A)\", titlefont=dict(color=\"blue\"), tickfont=dict(color=\"blue\")\n", - " ),\n", - " yaxis2=dict(\n", - " title=\"Voltage (V)\",\n", - " titlefont=dict(color=\"red\"),\n", - " tickfont=dict(color=\"red\"),\n", - " overlaying=\"y\",\n", - " side=\"right\",\n", - " ),\n", - " legend=dict(x=0.8, y=0.8), # Legend position\n", - ")\n", - "######################################################\n", - "\n", - "# Create the figure\n", - "fig = go.Figure(data=data, layout=layout)\n", - "\n", - "# Plot the figure\n", - "pyo.iplot(fig)" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "In this example, we use the default parameter value for the \"Open-circuit voltage [V] as provided by the original PyBaMM class. To update this, provide a function definition that matches this [function](https://github.com/pybamm-team/PyBaMM/blob/1943aa5ab2895b5378220595923dbae3d66b13c9/pybamm/input/parameters/ecm/example_set.py#L17)." - ] - }, - { - "cell_type": "code", - "execution_count": 17, - "metadata": {}, - "outputs": [], - "source": [ - "# Load the parameters\n", - "parameter_set = pybop.ParameterSet.pybamm(\"ECM_Example\")" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "Update the battery parameters." - ] - }, - { - "cell_type": "code", - "execution_count": 18, - "metadata": {}, - "outputs": [], - "source": [ - "# Update the ECM input parameter as required for the present case\n", - "parameter_set.update(\n", - " {\n", - " \"Cell capacity [A.h]\": 0.3,\n", - " \"Nominal cell capacity [A.h]\": 0.3,\n", - " \"Element-1 initial overpotential [V]\": 0,\n", - " \"Upper voltage cut-off [V]\": 4.2,\n", - " \"Lower voltage cut-off [V]\": 2.5,\n", - " \"R0 [Ohm]\": 1e-3,\n", - " \"R1 [Ohm]\": 3e-3,\n", - " \"C1 [F]\": 5e2,\n", - " \"Open-circuit voltage [V]\": pybop.empirical.Thevenin().default_parameter_values[\n", - " \"Open-circuit voltage [V]\"\n", - " ],\n", - " }\n", - ")\n", - "# Optional arguments - only needed for two RC pairs\n", - "parameter_set.update(\n", - " {\n", - " \"R2 [Ohm]\": 0.002,\n", - " \"C2 [F]\": 3e4,\n", - " \"Element-2 initial overpotential [V]\": 0,\n", - " },\n", - " check_already_exists=False,\n", - ")" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "### Identifying the Parameters\n", - "\n", - "Now that the initial parameter set is constructed, we can start the PyBOP fitting process. First, we define the model class with two RC elements." - ] - }, - { - "cell_type": "code", - "execution_count": 19, - "metadata": {}, - "outputs": [], - "source": [ - "model = pybop.empirical.Thevenin(\n", - " parameter_set=parameter_set,\n", - " options={\"number of rc elements\": 2},\n", - " solver=pybamm.CasadiSolver(mode=\"safe\", dt_max=10),\n", - ")" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "### Create PyBOP dataset." - ] - }, - { - "cell_type": "code", - "execution_count": 20, - "metadata": {}, - "outputs": [], - "source": [ - "new_time = time[start_index:end_index]\n", - "new_time = new_time - new_time[0]\n", - "new_current = current[start_index:end_index]\n", - "new_voltage = voltage[start_index:end_index]\n", - "\n", - "dataset = pybop.Dataset(\n", - " {\n", - " \"Time [s]\": new_time,\n", - " \"Current function [A]\": new_current,\n", - " \"Voltage [V]\": new_voltage,\n", - " }\n", - ")\n", - "r0_guess = 0.005" - ] - }, - { - "cell_type": "code", - "execution_count": 21, - "metadata": {}, - "outputs": [], - "source": [ - "parameters = pybop.Parameters(\n", - " pybop.Parameter(\n", - " \"R0 [Ohm]\",\n", - " prior=pybop.Gaussian(r0_guess, r0_guess / 10),\n", - " bounds=[0, 0.5],\n", - " ),\n", - " pybop.Parameter(\n", - " \"R1 [Ohm]\",\n", - " prior=pybop.Gaussian(r0_guess, r0_guess / 10),\n", - " bounds=[0, 0.5],\n", - " ),\n", - " pybop.Parameter(\n", - " \"R2 [Ohm]\",\n", - " prior=pybop.Gaussian(r0_guess, r0_guess / 10),\n", - " bounds=[0, 0.5],\n", - " ),\n", - " pybop.Parameter(\n", - " \"C1 [F]\",\n", - " prior=pybop.Gaussian(500, 100),\n", - " bounds=[100, 10000],\n", - " ),\n", - " pybop.Parameter(\n", - " \"C2 [F]\",\n", - " prior=pybop.Gaussian(2000, 500),\n", - " bounds=[100, 10000],\n", - " ),\n", - ")" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "The `FittingProblem` class provides us with a single class that holds all of the objects we need to evaluate our selected `SumSquaredError` cost function. " - ] - }, - { - "cell_type": "code", - "execution_count": 22, - "metadata": {}, - "outputs": [], - "source": [ - "model.build(initial_state={\"Initial open-circuit voltage [V]\": new_voltage[0]})\n", - "problem = pybop.FittingProblem(\n", - " model,\n", - " parameters,\n", - " dataset,\n", - ")\n", - "\n", - "cost = pybop.SumSquaredError(problem)" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "Next, we construct the optimisation class with our algorithm of choice and run it. In this case, we select the XNES method as it provides global optimisation capability." - ] - }, - { - "cell_type": "code", - "execution_count": 23, - "metadata": {}, - "outputs": [ - { - "name": "stderr", - "output_type": "stream", - "text": [ - "/home/dibyendu/Oxford_Work/PyBOP/.venv/lib/python3.10/site-packages/pybamm/solvers/base_solver.py:762: SolverWarning:\n", - "\n", - "Explicit interpolation times not implemented for CasADi solver with 'safe' mode\n", - "\n" - ] - }, - { - "name": "stdout", - "output_type": "stream", - "text": [ - "Initial parameters: [4.76293360e-03 5.15973471e-03 5.02345920e-03 4.81204363e+02\n", - " 2.28029289e+03]\n", - "Estimated parameters: [2.17490811e-01 3.59643257e-02 1.70578507e-01 1.32665976e+02\n", - " 4.16760058e+02]\n" - ] - } - ], - "source": [ - "optim = pybop.XNES(\n", - " cost,\n", - " sigma0=[1e-3, 1e-3, 1e-3, 20, 20],\n", - " max_unchanged_iterations=50,\n", - " max_iterations=250,\n", - ")\n", - "x, final_cost = optim.run()\n", - "print(\"Initial parameters:\", optim.x0)\n", - 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