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3rd Year Lab Design of Experiments for Flow Chemistry.ipynb
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{ | ||
"cells": [ | ||
{ | ||
"cell_type": "markdown", | ||
"id": "98abd4a7", | ||
"metadata": {}, | ||
"source": [ | ||
"AIC to be added to doenut.oy" | ||
] | ||
}, | ||
{ | ||
"cell_type": "code", | ||
"execution_count": 2, | ||
"id": "c2e0b5a9", | ||
"metadata": {}, | ||
"outputs": [ | ||
{ | ||
"name": "stdout", | ||
"output_type": "stream", | ||
"text": [ | ||
"Number of parameters: 3\n", | ||
"MSE: 0.011\n", | ||
"AIC: -442.128\n" | ||
] | ||
} | ||
], | ||
"source": [ | ||
"\n", | ||
"# calculate akaike information criterion for a linear regression model\n", | ||
"from math import log\n", | ||
"from sklearn.datasets import make_regression\n", | ||
"from sklearn.line`ar_model import LinearRegression\n", | ||
"from sklearn.metrics import mean_squared_error\n", | ||
" \n", | ||
"# calculate aic for regression\n", | ||
"def calculate_aic(n, mse, num_params):\n", | ||
"\taic = n * log(mse) + 2 * num_params\n", | ||
"\treturn aic\n", | ||
"\n", | ||
"# calculate bic for regression\n", | ||
"def calculate_bic(n, mse, num_params):\n", | ||
"\tbic = n * log(mse) + num_params * log(n)\n", | ||
"\treturn bic\n", | ||
" \n", | ||
"# generate dataset\n", | ||
"X, y = make_regression(n_samples=100, n_features=2, noise=0.1)\n", | ||
"# define and fit the model on all data\n", | ||
"model = LinearRegression()\n", | ||
"model.fit(X, y)\n", | ||
"# number of parameters\n", | ||
"num_params = len(model.coef_) + 1\n", | ||
"print('Number of parameters: %d' % (num_params))\n", | ||
"# predict the training set\n", | ||
"yhat = model.predict(X)\n", | ||
"# calculate the error\n", | ||
"mse = mean_squared_error(y, yhat)\n", | ||
"print('MSE: %.3f' % mse)\n", | ||
"# calculate the aic\n", | ||
"aic = calculate_aic(len(y), mse, num_params)\n", | ||
"print('AIC: %.3f' % aic)" | ||
] | ||
}, | ||
{ | ||
"cell_type": "code", | ||
"execution_count": 27, | ||
"id": "0426c7b0", | ||
"metadata": {}, | ||
"outputs": [ | ||
{ | ||
"data": { | ||
"text/plain": [ | ||
"67.09209781943903" | ||
] | ||
}, | ||
"execution_count": 27, | ||
"metadata": {}, | ||
"output_type": "execute_result" | ||
} | ||
], | ||
"source": [ | ||
"N=22\n", | ||
"rmse=6.1168\n", | ||
"num_params=N-16\n", | ||
"calculate_aic(n=N, mse=rmse*2, num_params=num_params)" | ||
] | ||
}, | ||
{ | ||
"cell_type": "code", | ||
"execution_count": 30, | ||
"id": "b8977c33", | ||
"metadata": {}, | ||
"outputs": [ | ||
{ | ||
"name": "stdout", | ||
"output_type": "stream", | ||
"text": [ | ||
"75.33333333333333\n", | ||
"0.23570226039551584\n", | ||
"0.4714045207910317\n" | ||
] | ||
} | ||
], | ||
"source": [ | ||
"import numpy as np\n", | ||
"x=[76,75,75]\n", | ||
"print(np.mean(x))\n", | ||
"print(np.std(x)/np.sqrt(4))\n", | ||
"print(np.std(x))" | ||
] | ||
}, | ||
{ | ||
"cell_type": "code", | ||
"execution_count": 31, | ||
"id": "d0b546d6", | ||
"metadata": {}, | ||
"outputs": [ | ||
{ | ||
"data": { | ||
"text/plain": [ | ||
"9" | ||
] | ||
}, | ||
"execution_count": 31, | ||
"metadata": {}, | ||
"output_type": "execute_result" | ||
} | ||
], | ||
"source": [ | ||
"84-75" | ||
] | ||
}, | ||
{ | ||
"cell_type": "code", | ||
"execution_count": 32, | ||
"id": "26b39103", | ||
"metadata": {}, | ||
"outputs": [ | ||
{ | ||
"data": { | ||
"text/plain": [ | ||
"21" | ||
] | ||
}, | ||
"execution_count": 32, | ||
"metadata": {}, | ||
"output_type": "execute_result" | ||
} | ||
], | ||
"source": [ | ||
"82-61" | ||
] | ||
}, | ||
{ | ||
"cell_type": "code", | ||
"execution_count": 38, | ||
"id": "c135332b", | ||
"metadata": {}, | ||
"outputs": [ | ||
{ | ||
"data": { | ||
"text/plain": [ | ||
"37.0" | ||
] | ||
}, | ||
"execution_count": 38, | ||
"metadata": {}, | ||
"output_type": "execute_result" | ||
} | ||
], | ||
"source": [ | ||
"np.mean([32,42])" | ||
] | ||
}, | ||
{ | ||
"cell_type": "code", | ||
"execution_count": 33, | ||
"id": "5bffb591", | ||
"metadata": {}, | ||
"outputs": [ | ||
{ | ||
"data": { | ||
"text/plain": [ | ||
"32" | ||
] | ||
}, | ||
"execution_count": 33, | ||
"metadata": {}, | ||
"output_type": "execute_result" | ||
} | ||
], | ||
"source": [ | ||
"82-50" | ||
] | ||
}, | ||
{ | ||
"cell_type": "code", | ||
"execution_count": 34, | ||
"id": "900fc756", | ||
"metadata": {}, | ||
"outputs": [ | ||
{ | ||
"data": { | ||
"text/plain": [ | ||
"42" | ||
] | ||
}, | ||
"execution_count": 34, | ||
"metadata": {}, | ||
"output_type": "execute_result" | ||
} | ||
], | ||
"source": [ | ||
"82-40" | ||
] | ||
}, | ||
{ | ||
"cell_type": "code", | ||
"execution_count": 35, | ||
"id": "27d7a7cb", | ||
"metadata": {}, | ||
"outputs": [ | ||
{ | ||
"data": { | ||
"text/plain": [ | ||
"28" | ||
] | ||
}, | ||
"execution_count": 35, | ||
"metadata": {}, | ||
"output_type": "execute_result" | ||
} | ||
], | ||
"source": [ | ||
"88-60" | ||
] | ||
}, | ||
{ | ||
"cell_type": "code", | ||
"execution_count": null, | ||
"id": "d4ae6376", | ||
"metadata": {}, | ||
"outputs": [], | ||
"source": [] | ||
} | ||
], | ||
"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": "3.10.4" | ||
} | ||
}, | ||
"nbformat": 4, | ||
"nbformat_minor": 5 | ||
} |
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2,414
Design of Experiments for Flow Chemistry (full version).ipynb
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Different data for 3rd Year Lab Design of Experiments for Flow Chemistry.ipynb
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