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| 1 |
+
To adapt and enhance the code for predicting new drug combinations in humans and handling Æon outcomes in a Kaggle notebook for the mentioned competition, you can make the following modifications:
|
| 2 |
+
```python
|
| 3 |
+
# Import necessary libraries
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| 4 |
+
import pandas as pd
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| 5 |
+
import numpy as np
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| 6 |
+
from sklearn.model_selection import train_test_split
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| 7 |
+
from sklearn.ensemble import RandomForestClassifier
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| 8 |
+
from sklearn.metrics import accuracy_score, classification_report, confusion_matrix
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| 9 |
+
import qiskit
|
| 10 |
+
from qiskit import QuantumCircuit, execute, Aer, transpile, assemble, QuantumRegister, ClassicalRegister
|
| 11 |
+
from qiskit.visualization import plot_histogram, plot_bloch_multivector
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| 12 |
+
from qiskit.quantum_info import state_fidelity
|
| 13 |
+
|
| 14 |
+
# Set seed for reproducibility
|
| 15 |
+
np.random.seed(42)
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| 16 |
+
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| 17 |
+
# Load the healthcare dataset
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| 18 |
+
try:
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| 19 |
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healthcare_data = pd.read_csv('healthcare_data.csv')
|
| 20 |
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except FileNotFoundError:
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| 21 |
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print("Error: Dataset 'healthcare_data.csv' not found. Please ensure it is in the same directory.")
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| 22 |
+
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| 23 |
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# Check for missing values
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| 24 |
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missing_values = healthcare_data.isnull().sum()
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| 25 |
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if missing_values.any():
|
| 26 |
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print("Warning: Missing values detected in the dataset.")
|
| 27 |
+
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| 28 |
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# Display the first few rows of the dataset
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| 29 |
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print(healthcare_data.head())
|
| 30 |
+
|
| 31 |
+
# Basic data exploration
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| 32 |
+
num_drugs = len(healthcare_data['Drug'].unique())
|
| 33 |
+
num_outcomes = len(healthcare_data['Outcome'].unique())
|
| 34 |
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print(f"Number of unique drugs in the dataset: {num_drugs}")
|
| 35 |
+
print(f"Number of unique outcomes in the dataset: {num_outcomes}")
|
| 36 |
+
|
| 37 |
+
# Data preprocessing
|
| 38 |
+
# Handle categorical variables, encode categorical data, handle outliers, etc.
|
| 39 |
+
# Example: Encoding categorical variables
|
| 40 |
+
categorical_columns = ['Category', 'Type']
|
| 41 |
+
for col in categorical_columns:
|
| 42 |
+
if col in healthcare_data.columns:
|
| 43 |
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healthcare_data[col] = pd.Categorical(healthcare_data[col])
|
| 44 |
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healthcare_data[col] = healthcare_data[col].cat.codes
|
| 45 |
+
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| 46 |
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# Split the data into features and target variable
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| 47 |
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X = healthcare_data.drop('Outcome', axis=1)
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| 48 |
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y = healthcare_data['Outcome']
|
| 49 |
+
|
| 50 |
+
# Split the data into training and testing sets
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| 51 |
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X_train, X_test, y_train, y_test = train_test_split(X, y, test_size=0.2, random_state=42)
|
| 52 |
+
|
| 53 |
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# Initialize the Random Forest classifier
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| 54 |
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rf_classifier = RandomForestClassifier(n_estimators=100, random_state=42)
|
| 55 |
+
|
| 56 |
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# Train the model
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| 57 |
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rf_classifier.fit(X_train, y_train)
|
| 58 |
+
|
| 59 |
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# Make predictions on the test set
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| 60 |
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y_pred = rf_classifier.predict(X_test)
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| 61 |
+
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| 62 |
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# Calculate accuracy of the model
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| 63 |
+
accuracy = accuracy_score(y_test, y_pred)
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| 64 |
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print(f"Accuracy of the model: {accuracy:.2f}")
|
| 65 |
+
|
| 66 |
+
# Generate new drug combinations using quantum computing
|
| 67 |
+
num_drugs_to_combine = 3
|
| 68 |
+
num_qubits = len(bin(num_drugs_to_combine - 1)) # Number of qubits needed to represent combinations
|
| 69 |
+
qr = QuantumRegister(num_qubits)
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| 70 |
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cr = ClassicalRegister(num_qubits)
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| 71 |
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quantum_circuit = QuantumCircuit(qr, cr)
|
| 72 |
+
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| 73 |
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# Apply Hadamard gates and barriers
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| 74 |
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for i in range(num_qubits):
|
| 75 |
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quantum_circuit.h(qr[i])
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| 76 |
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quantum_circuit.barrier()
|
| 77 |
+
|
| 78 |
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# Apply controlled-NOT gates to create combinations
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| 79 |
+
for i in range(num_qubits):
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| 80 |
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for j in range(i + 1, num_qubits):
|
| 81 |
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quantum_circuit.cx(qr[i], qr[j])
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| 82 |
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quantum_circuit.barrier()
|
| 83 |
+
|
| 84 |
+
# Measure all qubits
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| 85 |
+
quantum_circuit.measure(qr, cr)
|
| 86 |
+
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| 87 |
+
# Get the backend and run the circuit
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| 88 |
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backend = Aer.get_backend('qasm_simulator')
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| 89 |
+
transpiled_circuit = transpile(quantum_circuit, backend)
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| 90 |
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qobj = assemble(transpiled_circuit)
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| 91 |
+
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| 92 |
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job = execute(qobj, backend, shots=1024)
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| 93 |
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result = job.result()
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| 94 |
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counts = result.get_counts()
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| 95 |
+
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| 96 |
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new_drug_combinations = list(counts.keys())
|
| 97 |
+
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| 98 |
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# Predict the outcomes for new drug combinations using the trained model
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| 99 |
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new_drug_outcomes = rf_classifier.predict(new_drug_combinations)
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| 100 |
+
|
| 101 |
+
# Store the predictions in a DataFrame
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| 102 |
+
predictions = pd.DataFrame({
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| 103 |
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'Drug Combination': new_drug_combinations,
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| 104 |
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'Predicted Outcome': new_drug_outcomes
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| 105 |
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})
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| 106 |
+
|
| 107 |
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# Visualize the predictions
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| 108 |
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plt.figure(figsize=(10, 6))
|
| 109 |
+
sns.barplot(data=predictions, x='Drug Combination', y='Predicted Outcome', palette='coolwarm')
|
| 110 |
+
plt.title('Predicted Outcomes for New Drug Combinations')
|
| 111 |
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plt.xlabel('Drug Combination')
|
| 112 |
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plt.ylabel('Predicted Outcome')
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| 113 |
+
plt.xticks(rotation=45)
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| 114 |
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plt.show()
|
| 115 |
+
|
| 116 |
+
# Evaluate the model using a confusion matrix and classification report
|
| 117 |
+
conf_matrix = confusion_matrix(y_test, y_pred)
|
| 118 |
+
class_report = classification_report(y_test, y_pred)
|
| 119 |
+
|
| 120 |
+
print("Confusion Matrix:")
|
| 121 |
+
print(conf_matrix)
|
| 122 |
+
print("\nClassification Report:")
|
| 123 |
+
print(class_report)
|
| 124 |
+
|
| 125 |
+
# Visualize the quantum circuit
|
| 126 |
+
plot_histogram(counts)
|
| 127 |
+
plt.title('Quantum Circuit Measurement Outcomes')
|
| 128 |
+
plt.xlabel('Outcome')
|
| 129 |
+
plt.ylabel('Frequency')
|
| 130 |
+
plt.show()
|
| 131 |
+
|
| 132 |
+
# Visualize the quantum state
|
| 133 |
+
final_state = result.get_statevector()
|
| 134 |
+
plot_bloch_multivector(final_state)
|
| 135 |
+
plt.title('Quantum State Visualization')
|
| 136 |
+
plt.show()
|
| 137 |
+
|
| 138 |
+
# Calculate the fidelity of the quantum state
|
| 139 |
+
ideal_state = np.array([1] + [0] * (2**num_qubits - 1)) / np.sqrt(2**num_qubits)
|
| 140 |
+
fidelity = state_fidelity(final_state, ideal_state)
|
| 141 |
+
print(f"Fidelity of the quantum state: {fidelity:.4f}")
|
| 142 |
+
|
| 143 |
+
# Store the predictions and model for future reference
|
| 144 |
+
predictions.to_csv('drug_combination_predictions.csv', index=False)
|
| 145 |
+
rf_classifier.save('trained_model.pkl')
|
| 146 |
+
```
|
| 147 |
+
|
| 148 |
+
In this adapted version:
|
| 149 |
+
- The number of drugs to combine is set to 3, and the number of qubits needed to represent the combinations is calculated using `bin(num_drugs_to_combine - 1)`.
|
| 150 |
+
- The quantum circuit is modified to create combinations of drugs using controlled-NOT gates.
|
| 151 |
+
- The fidelity of the quantum state is calculated using `state_fidelity` to assess the quality of the quantum state.
|
| 152 |
+
- The rest of the code remains similar to the previous versions, including data preprocessing, model training, prediction, evaluation, and visualization.
|
| 153 |
+
|
| 154 |
+
Please note that this is still a simplified example, and you would need to adapt it to your specific quantum computing scripture and healthcare dataset.
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