@synsci/cli-darwin-x64-baseline 1.1.76 → 1.1.78

package/bin/skills/pennylane/references/quantum_ml.md

@@ -0,0 +1,571 @@
+# Quantum Machine Learning with PennyLane
+
+## Table of Contents
+1. [Hybrid Quantum-Classical Models](#hybrid-quantum-classical-models)
+2. [Framework Integration](#framework-integration)
+3. [Quantum Neural Networks](#quantum-neural-networks)
+4. [Variational Classifiers](#variational-classifiers)
+5. [Training and Optimization](#training-and-optimization)
+6. [Data Encoding Strategies](#data-encoding-strategies)
+7. [Transfer Learning](#transfer-learning)
+
+## Hybrid Quantum-Classical Models
+
+### Basic Hybrid Model
+
+```python
+import pennylane as qml
+import numpy as np
+
+dev = qml.device('default.qubit', wires=4)
+
+@qml.qnode(dev)
+def quantum_layer(inputs, weights):
+    # Encode classical data
+    for i, inp in enumerate(inputs):
+        qml.RY(inp, wires=i)
+
+    # Parameterized quantum circuit
+    for wire in range(4):
+        qml.RX(weights[wire], wires=wire)
+
+    for wire in range(3):
+        qml.CNOT(wires=[wire, wire+1])
+
+    # Measure
+    return [qml.expval(qml.PauliZ(i)) for i in range(4)]
+
+# Use in classical workflow
+inputs = np.array([0.1, 0.2, 0.3, 0.4])
+weights = np.random.random(4)
+output = quantum_layer(inputs, weights)
+```
+
+### Quantum-Classical Pipeline
+
+```python
+def hybrid_model(x, quantum_weights, classical_weights):
+    # Classical preprocessing
+    x_preprocessed = np.tanh(classical_weights['pre'] @ x)
+
+    # Quantum layer
+    quantum_out = quantum_layer(x_preprocessed, quantum_weights)
+
+    # Classical postprocessing
+    output = classical_weights['post'] @ quantum_out
+
+    return output
+```
+
+## Framework Integration
+
+### PyTorch Integration
+
+```python
+import torch
+import pennylane as qml
+
+dev = qml.device('default.qubit', wires=2)
+
+@qml.qnode(dev, interface='torch')
+def quantum_circuit(inputs, weights):
+    qml.RY(inputs[0], wires=0)
+    qml.RY(inputs[1], wires=1)
+    qml.RX(weights[0], wires=0)
+    qml.RX(weights[1], wires=1)
+    qml.CNOT(wires=[0, 1])
+    return qml.expval(qml.PauliZ(0))
+
+# Create PyTorch layer
+class QuantumLayer(torch.nn.Module):
+    def __init__(self, n_qubits):
+        super().__init__()
+        self.n_qubits = n_qubits
+        self.weights = torch.nn.Parameter(torch.randn(n_qubits))
+
+    def forward(self, x):
+        return torch.stack([quantum_circuit(xi, self.weights) for xi in x])
+
+# Use in PyTorch model
+class HybridModel(torch.nn.Module):
+    def __init__(self):
+        super().__init__()
+        self.classical_1 = torch.nn.Linear(10, 2)
+        self.quantum = QuantumLayer(2)
+        self.classical_2 = torch.nn.Linear(1, 2)
+
+    def forward(self, x):
+        x = torch.relu(self.classical_1(x))
+        x = self.quantum(x)
+        x = self.classical_2(x.unsqueeze(1))
+        return x
+
+# Training loop
+model = HybridModel()
+optimizer = torch.optim.Adam(model.parameters(), lr=0.01)
+criterion = torch.nn.CrossEntropyLoss()
+
+for epoch in range(100):
+    optimizer.zero_grad()
+    outputs = model(inputs)
+    loss = criterion(outputs, labels)
+    loss.backward()
+    optimizer.step()
+```
+
+### JAX Integration
+
+```python
+import jax
+import jax.numpy as jnp
+import pennylane as qml
+
+dev = qml.device('default.qubit', wires=2)
+
+@qml.qnode(dev, interface='jax')
+def quantum_circuit(inputs, weights):
+    qml.RY(inputs[0], wires=0)
+    qml.RY(inputs[1], wires=1)
+    qml.RX(weights[0], wires=0)
+    qml.RX(weights[1], wires=1)
+    qml.CNOT(wires=[0, 1])
+    return qml.expval(qml.PauliZ(0))
+
+# JAX-compatible training
+@jax.jit
+def loss_fn(weights, x, y):
+    predictions = quantum_circuit(x, weights)
+    return jnp.mean((predictions - y) ** 2)
+
+# Compute gradients with JAX
+grad_fn = jax.grad(loss_fn)
+
+# Training
+weights = jnp.array([0.1, 0.2])
+for i in range(100):
+    grads = grad_fn(weights, x_train, y_train)
+    weights = weights - 0.01 * grads
+```
+
+### TensorFlow Integration
+
+```python
+import tensorflow as tf
+import pennylane as qml
+
+dev = qml.device('default.qubit', wires=2)
+
+@qml.qnode(dev, interface='tf')
+def quantum_circuit(inputs, weights):
+    qml.RY(inputs[0], wires=0)
+    qml.RY(inputs[1], wires=1)
+    qml.RX(weights[0], wires=0)
+    qml.RX(weights[1], wires=1)
+    qml.CNOT(wires=[0, 1])
+    return qml.expval(qml.PauliZ(0))
+
+# Keras layer
+class QuantumLayer(tf.keras.layers.Layer):
+    def __init__(self, n_qubits):
+        super().__init__()
+        self.n_qubits = n_qubits
+        weight_init = tf.random_uniform_initializer()
+        self.weights = tf.Variable(
+            initial_value=weight_init(shape=(n_qubits,), dtype=tf.float32),
+            trainable=True
+        )
+
+    def call(self, inputs):
+        return tf.stack([quantum_circuit(x, self.weights) for x in inputs])
+
+# Keras model
+model = tf.keras.Sequential([
+    tf.keras.layers.Dense(2, activation='relu'),
+    QuantumLayer(2),
+    tf.keras.layers.Dense(2, activation='softmax')
+])
+
+model.compile(
+    optimizer=tf.keras.optimizers.Adam(0.01),
+    loss='sparse_categorical_crossentropy',
+    metrics=['accuracy']
+)
+
+model.fit(x_train, y_train, epochs=100, batch_size=32)
+```
+
+## Quantum Neural Networks
+
+### Variational Quantum Circuit (VQC)
+
+```python
+from pennylane import numpy as np
+
+dev = qml.device('default.qubit', wires=4)
+
+def variational_block(weights, wires):
+    """Single layer of variational circuit."""
+    for i, wire in enumerate(wires):
+        qml.RY(weights[i, 0], wires=wire)
+        qml.RZ(weights[i, 1], wires=wire)
+
+    for i in range(len(wires)-1):
+        qml.CNOT(wires=[wires[i], wires[i+1]])
+
+@qml.qnode(dev)
+def quantum_neural_network(inputs, weights):
+    # Encode inputs
+    for i, inp in enumerate(inputs):
+        qml.RY(inp, wires=i)
+
+    # Apply variational layers
+    n_layers = len(weights)
+    for layer_weights in weights:
+        variational_block(layer_weights, wires=range(4))
+
+    return qml.expval(qml.PauliZ(0))
+
+# Initialize weights
+n_layers = 3
+n_wires = 4
+weights_shape = (n_layers, n_wires, 2)
+weights = np.random.random(weights_shape, requires_grad=True)
+```
+
+### Quantum Convolutional Neural Network
+
+```python
+def conv_layer(weights, wires):
+    """Quantum convolutional layer."""
+    n_wires = len(wires)
+
+    # Apply local unitaries
+    for i in range(n_wires):
+        qml.RY(weights[i], wires=wires[i])
+
+    # Nearest-neighbor entanglement
+    for i in range(0, n_wires-1, 2):
+        qml.CNOT(wires=[wires[i], wires[i+1]])
+
+def pooling_layer(wires):
+    """Quantum pooling (measure and discard)."""
+    measurements = []
+    for i in range(0, len(wires), 2):
+        measurements.append(qml.measure(wires[i]))
+    return measurements
+
+@qml.qnode(dev)
+def qcnn(inputs, weights):
+    # Encode image data
+    for i, pixel in enumerate(inputs):
+        qml.RY(pixel, wires=i)
+
+    # Convolutional layers
+    conv_layer(weights[0], wires=range(8))
+    pooling_layer(wires=range(0, 8, 2))
+
+    conv_layer(weights[1], wires=range(1, 8, 2))
+    pooling_layer(wires=range(1, 8, 4))
+
+    return qml.expval(qml.PauliZ(1))
+```
+
+### Quantum Recurrent Neural Network
+
+```python
+def qrnn_cell(x, hidden, weights):
+    """Single QRNN cell."""
+    @qml.qnode(dev)
+    def cell(x, h, w):
+        # Encode input and hidden state
+        qml.RY(x, wires=0)
+        qml.RY(h, wires=1)
+
+        # Apply recurrent transformation
+        qml.RX(w[0], wires=0)
+        qml.RX(w[1], wires=1)
+        qml.CNOT(wires=[0, 1])
+        qml.RY(w[2], wires=1)
+
+        return qml.expval(qml.PauliZ(1))
+
+    return cell(x, hidden, weights)
+
+def qrnn_sequence(sequence, weights):
+    """Process sequence with QRNN."""
+    hidden = 0.0
+    outputs = []
+
+    for x in sequence:
+        hidden = qrnn_cell(x, hidden, weights)
+        outputs.append(hidden)
+
+    return outputs
+```
+
+## Variational Classifiers
+
+### Binary Classification
+
+```python
+dev = qml.device('default.qubit', wires=2)
+
+@qml.qnode(dev)
+def variational_classifier(x, weights):
+    # Feature map
+    qml.RY(x[0], wires=0)
+    qml.RY(x[1], wires=1)
+
+    # Variational layers
+    for w in weights:
+        qml.RX(w[0], wires=0)
+        qml.RX(w[1], wires=1)
+        qml.CNOT(wires=[0, 1])
+        qml.RY(w[2], wires=0)
+        qml.RY(w[3], wires=1)
+
+    return qml.expval(qml.PauliZ(0))
+
+def cost_function(weights, X, y):
+    """Binary cross-entropy loss."""
+    predictions = np.array([variational_classifier(x, weights) for x in X])
+    predictions = (predictions + 1) / 2  # Map [-1, 1] to [0, 1]
+    return -np.mean(y * np.log(predictions) + (1 - y) * np.log(1 - predictions))
+
+# Training
+n_layers = 2
+n_params_per_layer = 4
+weights = np.random.random((n_layers, n_params_per_layer), requires_grad=True)
+
+opt = qml.GradientDescentOptimizer(stepsize=0.1)
+for i in range(100):
+    weights = opt.step(lambda w: cost_function(w, X_train, y_train), weights)
+```
+
+### Multi-Class Classification
+
+```python
+@qml.qnode(dev)
+def multiclass_circuit(x, weights):
+    # Encode input
+    for i, val in enumerate(x):
+        qml.RY(val, wires=i)
+
+    # Variational circuit
+    for layer_weights in weights:
+        for i, w in enumerate(layer_weights):
+            qml.RY(w, wires=i)
+        for i in range(len(x)-1):
+            qml.CNOT(wires=[i, i+1])
+
+    # Multiple outputs for classes
+    return [qml.expval(qml.PauliZ(i)) for i in range(3)]
+
+def softmax(x):
+    exp_x = np.exp(x - np.max(x))
+    return exp_x / exp_x.sum()
+
+def predict_class(x, weights):
+    logits = multiclass_circuit(x, weights)
+    return softmax(logits)
+```
+
+## Training and Optimization
+
+### Gradient-Based Training
+
+```python
+# Automatic differentiation
+@qml.qnode(dev, diff_method='backprop')
+def circuit_backprop(x, weights):
+    # ... circuit definition
+    return qml.expval(qml.PauliZ(0))
+
+# Parameter shift rule
+@qml.qnode(dev, diff_method='parameter-shift')
+def circuit_param_shift(x, weights):
+    # ... circuit definition
+    return qml.expval(qml.PauliZ(0))
+
+# Finite differences
+@qml.qnode(dev, diff_method='finite-diff')
+def circuit_finite_diff(x, weights):
+    # ... circuit definition
+    return qml.expval(qml.PauliZ(0))
+```
+
+### Mini-Batch Training
+
+```python
+def batch_cost(weights, X_batch, y_batch):
+    predictions = np.array([variational_classifier(x, weights) for x in X_batch])
+    return np.mean((predictions - y_batch) ** 2)
+
+# Mini-batch training
+batch_size = 32
+n_epochs = 100
+
+for epoch in range(n_epochs):
+    for i in range(0, len(X_train), batch_size):
+        X_batch = X_train[i:i+batch_size]
+        y_batch = y_train[i:i+batch_size]
+
+        weights = opt.step(lambda w: batch_cost(w, X_batch, y_batch), weights)
+```
+
+### Learning Rate Scheduling
+
+```python
+def train_with_schedule(weights, X, y, n_epochs):
+    initial_lr = 0.1
+    decay = 0.95
+
+    for epoch in range(n_epochs):
+        lr = initial_lr * (decay ** epoch)
+        opt = qml.GradientDescentOptimizer(stepsize=lr)
+
+        weights = opt.step(lambda w: cost_function(w, X, y), weights)
+
+        if epoch % 10 == 0:
+            print(f"Epoch {epoch}, Loss: {cost_function(weights, X, y)}")
+
+    return weights
+```
+
+## Data Encoding Strategies
+
+### Angle Encoding
+
+```python
+def angle_encoding(x, wires):
+    """Encode features as rotation angles."""
+    for i, feature in enumerate(x):
+        qml.RY(feature, wires=wires[i])
+```
+
+### Amplitude Encoding
+
+```python
+def amplitude_encoding(x, wires):
+    """Encode features as state amplitudes."""
+    # Normalize
+    x_norm = x / np.linalg.norm(x)
+    qml.MottonenStatePreparation(x_norm, wires=wires)
+```
+
+### Basis Encoding
+
+```python
+def basis_encoding(x, wires):
+    """Encode binary features in computational basis."""
+    for i, bit in enumerate(x):
+        if bit:
+            qml.PauliX(wires=wires[i])
+```
+
+### IQP Encoding
+
+```python
+def iqp_encoding(x, wires):
+    """Instantaneous Quantum Polynomial encoding."""
+    # Hadamard layer
+    for wire in wires:
+        qml.Hadamard(wires=wire)
+
+    # Encode features
+    for i, feature in enumerate(x):
+        qml.RZ(feature, wires=wires[i])
+
+    # Entanglement
+    for i in range(len(wires)-1):
+        qml.IsingZZ(x[i] * x[i+1], wires=[wires[i], wires[i+1]])
+```
+
+### Hamiltonian Encoding
+
+```python
+def hamiltonian_encoding(x, wires, time=1.0):
+    """Encode via Hamiltonian evolution."""
+    # Build Hamiltonian from features
+    coeffs = x
+    obs = [qml.PauliZ(i) for i in wires]
+
+    H = qml.Hamiltonian(coeffs, obs)
+
+    # Apply time evolution
+    qml.ApproxTimeEvolution(H, time, n=10)
+```
+
+## Transfer Learning
+
+### Pre-trained Quantum Model
+
+```python
+# Train on large dataset
+pretrained_weights = train_quantum_model(large_dataset)
+
+# Fine-tune on specific task
+def fine_tune(pretrained_weights, small_dataset, n_epochs=50):
+    # Freeze early layers
+    frozen_weights = pretrained_weights[:-1]  # All but last layer
+    trainable_weights = pretrained_weights[-1:]  # Only last layer
+
+    @qml.qnode(dev)
+    def transfer_circuit(x, trainable):
+        # Apply frozen layers
+        for layer_w in frozen_weights:
+            variational_block(layer_w, wires=range(4))
+
+        # Apply trainable layer
+        variational_block(trainable, wires=range(4))
+
+        return qml.expval(qml.PauliZ(0))
+
+    # Train only last layer
+    opt = qml.AdamOptimizer(stepsize=0.01)
+    for epoch in range(n_epochs):
+        trainable_weights = opt.step(
+            lambda w: cost_function(w, small_dataset),
+            trainable_weights
+        )
+
+    return np.concatenate([frozen_weights, trainable_weights])
+```
+
+### Classical-to-Quantum Transfer
+
+```python
+# Use classical network for feature extraction
+import torch.nn as nn
+
+classical_extractor = nn.Sequential(
+    nn.Conv2d(3, 16, 3),
+    nn.ReLU(),
+    nn.MaxPool2d(2),
+    nn.Flatten(),
+    nn.Linear(16*13*13, 4)  # Output 4 features for quantum circuit
+)
+
+# Quantum classifier
+@qml.qnode(dev)
+def quantum_classifier(features, weights):
+    angle_encoding(features, wires=range(4))
+    variational_block(weights, wires=range(4))
+    return qml.expval(qml.PauliZ(0))
+
+# Combined model
+def hybrid_transfer_model(image, classical_weights, quantum_weights):
+    features = classical_extractor(image)
+    return quantum_classifier(features, quantum_weights)
+```
+
+## Best Practices
+
+1. **Start simple** - Begin with small circuits and scale up
+2. **Choose encoding wisely** - Match encoding to data structure
+3. **Use appropriate interfaces** - Select interface matching your ML framework
+4. **Monitor gradients** - Check for vanishing/exploding gradients (barren plateaus)
+5. **Regularize** - Add L2 regularization to prevent overfitting
+6. **Validate hardware compatibility** - Test on simulators before hardware
+7. **Batch efficiently** - Use vectorization when possible
+8. **Cache compilations** - Reuse compiled circuits for inference