//! Quantum Approximate Optimization Algorithm (QAOA) //! //! Combines quantum and classical optimization for combinatorial problems. //! Solves problems encoded in cost Hamiltonians via alternating: //! - Cost Hamiltonian evolution (problem-specific) //! - Mixer Hamiltonian evolution (driver) //! //! For MaxCut: H_C = Σ_{(i,j)∈E} (I - ZᵢZⱼ)/2 use crate::{hamiltonian::PauliHamiltonian, AlgorithmError, AlgorithmResult}; use std::collections::HashMap; use std::f64::consts::PI; /// QAOA circuit parameters #[derive(Debug, Clone)] pub struct QAOAParams { /// Cost Hamiltonian evolution times (β) pub beta: Vec, /// Mixer Hamiltonian evolution times (γ) pub gamma: Vec, /// Number of layers pub p: usize, } impl QAOAParams { /// Create new parameters with p layers pub fn new(p: usize) -> Self { QAOAParams { beta: vec![PI / 4.0; p], gamma: vec![PI / 2.0; p], p, } } /// Total number of parameters pub fn n_params(&self) -> usize { 2 * self.p } /// Set parameters from flat vector [β₀, γ₀, β₁, γ₁, ...] pub fn from_vec(vec: &[f64]) -> AlgorithmResult { if vec.len() % 2 != 0 { return Err(AlgorithmError::InvalidParameters( "Parameter vector length must be even".to_string(), )); } let p = vec.len() / 2; let beta = vec[0..p].to_vec(); let gamma = vec[p..2 * p].to_vec(); Ok(QAOAParams { beta, gamma, p }) } /// Convert to flat vector pub fn to_vec(&self) -> Vec { let mut v = self.beta.clone(); v.extend(&self.gamma); v } } /// QAOA circuit for a specific problem #[derive(Debug, Clone)] pub struct QAOACircuit { /// Number of qubits pub n_qubits: usize, /// Cost Hamiltonian pub cost_hamiltonian: PauliHamiltonian, /// Mixer Hamiltonian (typically X chain) pub mixer_hamiltonian: PauliHamiltonian, /// Current parameters pub params: QAOAParams, /// Approximation ratio tracking pub approx_ratios: Vec, } impl QAOACircuit { /// Create new QAOA circuit pub fn new( n_qubits: usize, cost_hamiltonian: PauliHamiltonian, mixer_hamiltonian: PauliHamiltonian, p: usize, ) -> Self { QAOACircuit { n_qubits, cost_hamiltonian, mixer_hamiltonian, params: QAOAParams::new(p), approx_ratios: Vec::new(), } } /// Update parameters pub fn set_params(&mut self, params: QAOAParams) -> AlgorithmResult<()> { if params.p != self.params.p { return Err(AlgorithmError::InvalidParameters( "Parameter depth mismatch".to_string(), )); } self.params = params; Ok(()) } /// Record approximation ratio pub fn record_approx_ratio(&mut self, ratio: f64) { self.approx_ratios.push(ratio); } /// Get best approximation ratio found so far pub fn best_approx_ratio(&self) -> Option { self.approx_ratios .iter() .copied() .max_by(|a, b| a.partial_cmp(b).unwrap_or(std::cmp::Ordering::Equal)) } } /// QAOA for MaxCut problem #[derive(Debug, Clone)] pub struct MaxCutQAOA { /// Number of vertices pub n: usize, /// Edges in graph pub edges: Vec<(usize, usize)>, /// QAOA circuit pub circuit: QAOACircuit, } impl MaxCutQAOA { /// Create MaxCut QAOA for given graph pub fn new(n: usize, edges: Vec<(usize, usize)>, p: usize) -> AlgorithmResult { // Validate edges for (u, v) in &edges { if *u >= n || *v >= n { return Err(AlgorithmError::InvalidGraph( "Edge vertex out of range".to_string(), )); } if u >= v { return Err(AlgorithmError::InvalidGraph( "Edges must be (u,v) with u < v".to_string(), )); } } // Cost Hamiltonian: H_C = Σ_{(i,j)∈E} (I - ZᵢZⱼ)/2 // Equivalently: H_C = |E|/2 - Σ_{(i,j)∈E} ZᵢZⱼ/2 let mut cost_ham = PauliHamiltonian::new(n); for (u, v) in &edges { use crate::hamiltonian::PauliOp; let mut ops = vec![PauliOp::I; n]; ops[*u] = PauliOp::Z; ops[*v] = PauliOp::Z; cost_ham.add_term( -0.5, crate::hamiltonian::PauliString::new(ops), )?; } // Mixer Hamiltonian: H_M = Σᵢ Xᵢ let mut mixer_ham = PauliHamiltonian::new(n); for i in 0..n { use crate::hamiltonian::PauliOp; let mut ops = vec![PauliOp::I; n]; ops[i] = PauliOp::X; mixer_ham.add_term(1.0, crate::hamiltonian::PauliString::new(ops))?; } let circuit = QAOACircuit::new(n, cost_ham, mixer_ham, p); Ok(MaxCutQAOA { n, edges, circuit, }) } /// Compute exact MaxCut value for given bitstring (exponential) pub fn exact_maxcut_value(&self, bitstring: &[bool]) -> usize { let mut cut_size = 0; for (u, v) in &self.edges { if bitstring[*u] != bitstring[*v] { cut_size += 1; } } cut_size } /// Expected approximation ratio for p layers /// Classic result: α_p bounds for MaxCut pub fn expected_approx_ratio(p: usize) -> f64 { match p { 1 => 0.6924, // Rounded from 0.6924 2 => 0.7559, 3 => 0.7912, _ => 0.75 + 0.05 * (p as f64 - 1.0).min(5.0), // Rough estimate for larger p } } /// Number of edges (size of MaxCut problem) pub fn edge_count(&self) -> usize { self.edges.len() } /// Maximum possible cut (all edges cut = |E|) pub fn max_cut(&self) -> usize { self.edges.len() } } /// QAOA for Ising optimization #[derive(Debug, Clone)] pub struct IsingQAOA { /// Ising Hamiltonian pub hamiltonian: PauliHamiltonian, /// QAOA circuit pub circuit: QAOACircuit, } impl IsingQAOA { /// Create for Ising problem pub fn new(hamiltonian: PauliHamiltonian, p: usize) -> AlgorithmResult { let n_qubits = hamiltonian.n_qubits; // Cost Hamiltonian is the Ising Hamiltonian itself let cost_ham = hamiltonian.clone(); // Mixer: transverse field use crate::hamiltonian::PauliOp; let mut mixer_ham = PauliHamiltonian::new(n_qubits); for i in 0..n_qubits { let mut ops = vec![PauliOp::I; n_qubits]; ops[i] = PauliOp::X; mixer_ham.add_term(1.0, crate::hamiltonian::PauliString::new(ops))?; } let circuit = QAOACircuit::new(n_qubits, cost_ham, mixer_ham, p); Ok(IsingQAOA { hamiltonian, circuit, }) } /// Get problem Hamiltonian eigenvalue bounds pub fn energy_bounds(&self) -> (f64, f64) { self.hamiltonian.eigenvalue_bounds() } } /// QAOA optimizer #[derive(Debug, Clone)] pub struct QAOAOptimizer { /// Learning rate pub learning_rate: f64, /// Maximum iterations pub max_iterations: usize, /// Convergence threshold pub convergence_threshold: f64, } impl QAOAOptimizer { /// Create default QAOA optimizer pub fn new() -> Self { QAOAOptimizer { learning_rate: 0.05, max_iterations: 200, convergence_threshold: 1e-4, } } /// Optimize MaxCut QAOA parameters pub fn optimize_maxcut(&self, maxcut: &mut MaxCutQAOA) -> AlgorithmResult> { // Start with default parameters let mut best_params = maxcut.circuit.params.to_vec(); let mut best_ratio = 0.0; for _iteration in 0..self.max_iterations { // Simulate QAOA (placeholder) let ratio = MaxCutQAOA::expected_approx_ratio(maxcut.circuit.params.p); maxcut.circuit.record_approx_ratio(ratio); if ratio > best_ratio { best_ratio = ratio; best_params = maxcut.circuit.params.to_vec(); } // In full implementation: compute gradients, update parameters } Ok(best_params) } } #[cfg(test)] mod tests { use super::*; #[test] fn test_qaoa_params_creation() { let params = QAOAParams::new(2); assert_eq!(params.p, 2); assert_eq!(params.n_params(), 4); } #[test] fn test_qaoa_params_vec_conversion() { let vec = vec![0.1, 0.2, 0.3, 0.4]; let params = QAOAParams::from_vec(&vec).unwrap(); assert_eq!(params.beta, vec![0.1, 0.2]); assert_eq!(params.gamma, vec![0.3, 0.4]); } #[test] fn test_maxcut_qaoa_creation() { let edges = vec![(0, 1), (1, 2), (0, 2)]; let qaoa = MaxCutQAOA::new(3, edges, 1); assert!(qaoa.is_ok()); let qaoa = qaoa.unwrap(); assert_eq!(qaoa.edge_count(), 3); } #[test] fn test_maxcut_exact_value() { let edges = vec![(0, 1), (1, 2)]; let qaoa = MaxCutQAOA::new(3, edges, 1).unwrap(); // Cut: 0,1,0 has cut size 2 assert_eq!(qaoa.exact_maxcut_value(&[false, true, false]), 2); // Cut: 0,0,0 has cut size 0 assert_eq!(qaoa.exact_maxcut_value(&[false, false, false]), 0); } #[test] fn test_maxcut_approx_ratio() { assert!(MaxCutQAOA::expected_approx_ratio(1) > 0.6); assert!(MaxCutQAOA::expected_approx_ratio(2) > MaxCutQAOA::expected_approx_ratio(1)); } #[test] fn test_qaoa_optimizer_creation() { let opt = QAOAOptimizer::new(); assert!(opt.learning_rate > 0.0); assert!(opt.max_iterations > 0); } } // Made with Bob