| 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: |
| ```python |
| |
| import pandas as pd |
| import numpy as np |
| from sklearn.model_selection import train_test_split |
| from sklearn.ensemble import RandomForestClassifier |
| from sklearn.metrics import accuracy_score, classification_report, confusion_matrix |
| import qiskit |
| from qiskit import QuantumCircuit, execute, Aer, transpile, assemble, QuantumRegister, ClassicalRegister |
| from qiskit.visualization import plot_histogram, plot_bloch_multivector |
| from qiskit.quantum_info import state_fidelity |
|
|
| |
| np.random.seed(42) |
|
|
| |
| try: |
| healthcare_data = pd.read_csv('healthcare_data.csv') |
| except FileNotFoundError: |
| print("Error: Dataset 'healthcare_data.csv' not found. Please ensure it is in the same directory.") |
|
|
| |
| missing_values = healthcare_data.isnull().sum() |
| if missing_values.any(): |
| print("Warning: Missing values detected in the dataset.") |
|
|
| |
| print(healthcare_data.head()) |
|
|
| |
| num_drugs = len(healthcare_data['Drug'].unique()) |
| num_outcomes = len(healthcare_data['Outcome'].unique()) |
| print(f"Number of unique drugs in the dataset: {num_drugs}") |
| print(f"Number of unique outcomes in the dataset: {num_outcomes}") |
|
|
| |
| |
| |
| categorical_columns = ['Category', 'Type'] |
| for col in categorical_columns: |
| if col in healthcare_data.columns: |
| healthcare_data[col] = pd.Categorical(healthcare_data[col]) |
| healthcare_data[col] = healthcare_data[col].cat.codes |
|
|
| |
| X = healthcare_data.drop('Outcome', axis=1) |
| y = healthcare_data['Outcome'] |
|
|
| |
| X_train, X_test, y_train, y_test = train_test_split(X, y, test_size=0.2, random_state=42) |
|
|
| |
| rf_classifier = RandomForestClassifier(n_estimators=100, random_state=42) |
|
|
| |
| rf_classifier.fit(X_train, y_train) |
|
|
| |
| y_pred = rf_classifier.predict(X_test) |
|
|
| |
| accuracy = accuracy_score(y_test, y_pred) |
| print(f"Accuracy of the model: {accuracy:.2f}") |
|
|
| |
| num_drugs_to_combine = 3 |
| num_qubits = len(bin(num_drugs_to_combine - 1)) |
| qr = QuantumRegister(num_qubits) |
| cr = ClassicalRegister(num_qubits) |
| quantum_circuit = QuantumCircuit(qr, cr) |
|
|
| |
| for i in range(num_qubits): |
| quantum_circuit.h(qr[i]) |
| quantum_circuit.barrier() |
|
|
| |
| for i in range(num_qubits): |
| for j in range(i + 1, num_qubits): |
| quantum_circuit.cx(qr[i], qr[j]) |
| quantum_circuit.barrier() |
|
|
| |
| quantum_circuit.measure(qr, cr) |
|
|
| |
| backend = Aer.get_backend('qasm_simulator') |
| transpiled_circuit = transpile(quantum_circuit, backend) |
| qobj = assemble(transpiled_circuit) |
|
|
| job = execute(qobj, backend, shots=1024) |
| result = job.result() |
| counts = result.get_counts() |
|
|
| new_drug_combinations = list(counts.keys()) |
|
|
| |
| new_drug_outcomes = rf_classifier.predict(new_drug_combinations) |
|
|
| |
| predictions = pd.DataFrame({ |
| 'Drug Combination': new_drug_combinations, |
| 'Predicted Outcome': new_drug_outcomes |
| }) |
|
|
| |
| plt.figure(figsize=(10, 6)) |
| sns.barplot(data=predictions, x='Drug Combination', y='Predicted Outcome', palette='coolwarm') |
| plt.title('Predicted Outcomes for New Drug Combinations') |
| plt.xlabel('Drug Combination') |
| plt.ylabel('Predicted Outcome') |
| plt.xticks(rotation=45) |
| plt.show() |
|
|
| |
| conf_matrix = confusion_matrix(y_test, y_pred) |
| class_report = classification_report(y_test, y_pred) |
|
|
| print("Confusion Matrix:") |
| print(conf_matrix) |
| print("\nClassification Report:") |
| print(class_report) |
|
|
| |
| plot_histogram(counts) |
| plt.title('Quantum Circuit Measurement Outcomes') |
| plt.xlabel('Outcome') |
| plt.ylabel('Frequency') |
| plt.show() |
|
|
| |
| final_state = result.get_statevector() |
| plot_bloch_multivector(final_state) |
| plt.title('Quantum State Visualization') |
| plt.show() |
|
|
| |
| ideal_state = np.array([1] + [0] * (2**num_qubits - 1)) / np.sqrt(2**num_qubits) |
| fidelity = state_fidelity(final_state, ideal_state) |
| print(f"Fidelity of the quantum state: {fidelity:.4f}") |
|
|
| |
| predictions.to_csv('drug_combination_predictions.csv', index=False) |
| rf_classifier.save('trained_model.pkl') |
| ``` |
|
|
| In this adapted version: |
| - 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)`. |
| - The quantum circuit is modified to create combinations of drugs using controlled-NOT gates. |
| - The fidelity of the quantum state is calculated using `state_fidelity` to assess the quality of the quantum state. |
| - The rest of the code remains similar to the previous versions, including data preprocessing, model training, prediction, evaluation, and visualization. |
|
|
| 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. |