quantrs2-ml 0.1.3

Quantum Machine Learning module for QuantRS2
Documentation
use crate::error::{MLError, Result};
use crate::optimization::{ObjectiveFunction, Optimizer};
use quantrs2_circuit::prelude::Circuit;
use quantrs2_sim::statevector::StateVectorSimulator;
use scirs2_core::ndarray::{Array1, Array2};
use scirs2_core::random::prelude::*;

/// Algorithm type for variational quantum algorithms
#[derive(Debug, Clone, Copy)]
pub enum VariationalAlgorithm {
    /// Variational Quantum Eigensolver
    VQE,

    /// Quantum Approximate Optimization Algorithm
    QAOA,

    /// Quantum Support Vector Machine
    QSVM,

    /// Quantum Neural Network
    QNN,

    /// Custom variational algorithm
    Custom,
}

/// Ansatz type for variational circuits
#[derive(Debug, Clone, Copy)]
pub enum AnsatzType {
    /// Hardware efficient ansatz
    HardwareEfficient,

    /// Unitary Coupled Cluster Singles and Doubles
    UCCSD,

    /// QAOA ansatz
    QAOA,

    /// Custom ansatz
    Custom,
}

/// Variational quantum circuit with parameterized gates
#[derive(Debug, Clone)]
pub struct VariationalCircuit {
    /// Number of qubits
    pub num_qubits: usize,

    /// Number of parameters
    pub num_params: usize,

    /// Current parameters
    pub parameters: Array1<f64>,

    /// Number of layers
    pub num_layers: usize,

    /// Type of ansatz
    pub ansatz_type: AnsatzType,
}

impl VariationalCircuit {
    /// Creates a new variational circuit
    pub fn new(
        num_qubits: usize,
        num_params: usize,
        num_layers: usize,
        ansatz_type: AnsatzType,
    ) -> Result<Self> {
        // Initialize random parameters
        let parameters = Array1::from_vec(
            (0..num_params)
                .map(|_| thread_rng().random::<f64>() * 2.0 * std::f64::consts::PI)
                .collect(),
        );

        Ok(VariationalCircuit {
            num_qubits,
            num_params,
            parameters,
            num_layers,
            ansatz_type,
        })
    }

    /// Creates a circuit with the current parameters
    pub fn create_circuit<const N: usize>(&self) -> Result<Circuit<N>> {
        // This is a dummy implementation
        // In a real system, this would create a circuit based on the ansatz type and parameters

        let mut circuit = Circuit::<N>::new();

        for i in 0..N.min(self.num_qubits) {
            // Apply some dummy gates based on parameters
            circuit.h(i)?;

            if i < self.parameters.len() {
                circuit.rz(i, self.parameters[i])?;
            }
        }

        // Add entanglement based on the ansatz type
        match self.ansatz_type {
            AnsatzType::HardwareEfficient => {
                // Linear nearest-neighbor entanglement
                for i in 0..N.min(self.num_qubits) - 1 {
                    circuit.cnot(i, i + 1)?;
                }
            }
            AnsatzType::UCCSD => {
                // More complex entanglement pattern
                for i in 0..N.min(self.num_qubits) / 2 {
                    let j = N.min(self.num_qubits) / 2 + i;
                    if j < N {
                        circuit.cnot(i, j)?;
                    }
                }
            }
            AnsatzType::QAOA => {
                // QAOA-style entanglement (fully connected)
                for i in 0..N.min(self.num_qubits) {
                    for j in i + 1..N.min(self.num_qubits) {
                        circuit.cnot(i, j)?;
                    }
                }
            }
            AnsatzType::Custom => {
                // Custom entanglement pattern
                if N >= 3 {
                    circuit.cnot(0, 1)?;
                    circuit.cnot(1, 2)?;
                    if N > 3 {
                        circuit.cnot(2, 3)?;
                    }
                }
            }
        }

        Ok(circuit)
    }

    /// Computes the expectation value of a Hamiltonian
    pub fn compute_expectation(&self, hamiltonian: &[(f64, Vec<(usize, usize)>)]) -> Result<f64> {
        // This is a dummy implementation
        // In a real system, this would compute the expectation value of the Hamiltonian
        // using the variational circuit

        // Dummy calculation
        let mut expectation = 0.0;

        for (coef, pauli_terms) in hamiltonian {
            let term_value = 0.1 * coef * pauli_terms.len() as f64;
            expectation += term_value;
        }

        Ok(expectation)
    }

    /// Evaluates the objective function for optimization
    pub fn evaluate(&self, objective: &dyn Fn(&VariationalCircuit) -> Result<f64>) -> Result<f64> {
        objective(self)
    }

    /// Optimizes the circuit parameters
    pub fn optimize(
        &mut self,
        objective: &dyn Fn(&VariationalCircuit) -> Result<f64>,
        optimizer: &Optimizer,
        max_iterations: usize,
    ) -> Result<f64> {
        // This is a dummy implementation
        // In a real system, this would optimize the circuit parameters
        // using the given optimizer and objective function

        let mut best_value = self.evaluate(objective)?;

        for _ in 0..max_iterations {
            // Update parameters (dummy)
            for i in 0..self.parameters.len() {
                self.parameters[i] += (thread_rng().random::<f64>() - 0.5) * 0.01;
            }

            let new_value = self.evaluate(objective)?;

            if new_value < best_value {
                best_value = new_value;
            }
        }

        Ok(best_value)
    }
}