1use crate::ising::{IsingError, IsingModel, QuboModel};
6use scirs2_core::random::prelude::*;
7use scirs2_core::random::ChaCha8Rng;
8use scirs2_core::Complex64;
9use std::collections::HashMap;
10use std::time::{Duration, Instant};
11use thiserror::Error;
12
13use super::functions::QaoaResult;
14
15#[derive(Debug, Clone)]
17pub struct QaoaConfig {
18 pub variant: QaoaVariant,
20 pub mixer_type: MixerType,
22 pub problem_encoding: ProblemEncoding,
24 pub optimizer: QaoaClassicalOptimizer,
26 pub num_shots: usize,
28 pub parameter_init: ParameterInitialization,
30 pub convergence_tolerance: f64,
32 pub max_optimization_time: Option<Duration>,
34 pub seed: Option<u64>,
36 pub detailed_logging: bool,
38 pub track_optimization_history: bool,
40 pub max_circuit_depth: Option<usize>,
42 pub use_symmetry_reduction: bool,
44}
45#[derive(Debug, Clone)]
47pub struct QaoaCircuitStats {
48 pub total_depth: usize,
50 pub two_qubit_gates: usize,
52 pub single_qubit_gates: usize,
54 pub estimated_fidelity: f64,
56 pub gate_counts: HashMap<String, usize>,
58}
59#[derive(Debug, Clone)]
61pub struct QaoaCircuit {
62 pub num_qubits: usize,
64 pub layers: Vec<QaoaLayer>,
66 pub parameters: Vec<f64>,
68 pub depth: usize,
70}
71#[derive(Debug, Clone)]
73pub struct QuantumStateStats {
74 pub optimal_overlap: f64,
76 pub entanglement_entropy: Vec<f64>,
78 pub concentration_ratio: f64,
80 pub expectation_variance: f64,
82}
83pub struct QaoaOptimizer {
85 config: QaoaConfig,
87 rng: ChaCha8Rng,
89 quantum_state: QuantumState,
91 optimization_history: OptimizationHistory,
93 current_circuit: Option<QaoaCircuit>,
95}
96impl QaoaOptimizer {
97 pub fn new(config: QaoaConfig) -> QaoaResult<Self> {
99 let rng = match config.seed {
100 Some(seed) => ChaCha8Rng::seed_from_u64(seed),
101 None => ChaCha8Rng::seed_from_u64(thread_rng().random::<u64>()),
102 };
103 let quantum_state = QuantumState::new(1);
104 Ok(Self {
105 config,
106 rng,
107 quantum_state,
108 optimization_history: OptimizationHistory {
109 energies: Vec::new(),
110 parameters: Vec::new(),
111 function_evaluations: 0,
112 start_time: Instant::now(),
113 },
114 current_circuit: None,
115 })
116 }
117 pub fn solve(&mut self, problem: &IsingModel) -> QaoaResult<QaoaResults> {
119 println!("Starting QAOA optimization...");
120 let start_time = Instant::now();
121 self.quantum_state = QuantumState::uniform_superposition(problem.num_qubits);
122 self.optimization_history.start_time = start_time;
123 let initial_parameters = self.initialize_parameters(problem)?;
124 let circuit = self.build_qaoa_circuit(problem, &initial_parameters)?;
125 self.current_circuit = Some(circuit);
126 let optimization_result = self.optimize_parameters(problem, initial_parameters)?;
127 let optimization_time = start_time.elapsed();
128 let final_state =
129 self.simulate_qaoa_circuit(problem, &optimization_result.optimal_parameters)?;
130 let (best_solution, best_energy) = self.extract_best_solution(problem, &final_state)?;
131 let approximation_ratio = self.calculate_approximation_ratio(best_energy, problem);
132 let circuit_stats = self.calculate_circuit_stats(
133 self.current_circuit
134 .as_ref()
135 .ok_or_else(|| QaoaError::CircuitError("Circuit not initialized".to_string()))?,
136 );
137 let quantum_stats = self.calculate_quantum_stats(&final_state, problem);
138 let performance_metrics = self.calculate_performance_metrics(
139 &optimization_result,
140 best_energy,
141 optimization_time,
142 );
143 println!("QAOA optimization completed in {optimization_time:.2?}");
144 println!("Best energy: {best_energy:.6}, Approximation ratio: {approximation_ratio:.3}");
145 Ok(QaoaResults {
146 best_solution,
147 best_energy,
148 optimal_parameters: optimization_result.optimal_parameters,
149 energy_history: self.optimization_history.energies.clone(),
150 parameter_history: self.optimization_history.parameters.clone(),
151 function_evaluations: self.optimization_history.function_evaluations,
152 converged: optimization_result.converged,
153 optimization_time,
154 approximation_ratio,
155 circuit_stats,
156 quantum_stats,
157 performance_metrics,
158 })
159 }
160 fn initialize_parameters(&mut self, problem: &IsingModel) -> QaoaResult<Vec<f64>> {
162 let num_parameters = self.get_num_parameters();
163 let mut parameters = vec![0.0; num_parameters];
164 let param_init = self.config.parameter_init.clone();
165 match param_init {
166 ParameterInitialization::Random { range } => {
167 for param in &mut parameters {
168 *param = self.rng.random_range(range.0..range.1);
169 }
170 }
171 ParameterInitialization::Linear {
172 gamma_max,
173 beta_max,
174 } => {
175 for i in 0..num_parameters {
176 if i % 2 == 0 {
177 let layer = i / 2;
178 parameters[i] =
179 gamma_max * (layer + 1) as f64 / self.get_num_layers() as f64;
180 } else {
181 parameters[i] = beta_max;
182 }
183 }
184 }
185 ParameterInitialization::ProblemAware => {
186 self.initialize_problem_aware_parameters(&mut parameters, problem)?;
187 }
188 ParameterInitialization::WarmStart { solution } => {
189 self.initialize_warm_start_parameters(&mut parameters, &solution)?;
190 }
191 ParameterInitialization::TransferLearning {
192 previous_parameters,
193 } => {
194 for (i, &prev_param) in previous_parameters.iter().enumerate() {
195 if i < parameters.len() {
196 parameters[i] = prev_param;
197 }
198 }
199 }
200 }
201 Ok(parameters)
202 }
203 fn get_num_parameters(&self) -> usize {
205 match &self.config.variant {
206 QaoaVariant::Standard { layers } => layers * 2,
207 QaoaVariant::QaoaPlus {
208 layers,
209 multi_angle,
210 } => {
211 if *multi_angle {
212 layers * 4
213 } else {
214 layers * 2
215 }
216 }
217 QaoaVariant::MultiAngle {
218 layers,
219 angles_per_layer,
220 } => layers * angles_per_layer,
221 QaoaVariant::WarmStart { layers, .. } => layers * 2,
222 QaoaVariant::Recursive { max_layers, .. } => max_layers * 2,
223 }
224 }
225 const fn get_num_layers(&self) -> usize {
227 match &self.config.variant {
228 QaoaVariant::Standard { layers }
229 | QaoaVariant::QaoaPlus { layers, .. }
230 | QaoaVariant::MultiAngle { layers, .. }
231 | QaoaVariant::WarmStart { layers, .. } => *layers,
232 QaoaVariant::Recursive { max_layers, .. } => *max_layers,
233 }
234 }
235 fn initialize_problem_aware_parameters(
237 &self,
238 parameters: &mut [f64],
239 problem: &IsingModel,
240 ) -> QaoaResult<()> {
241 let coupling_strength = self.analyze_coupling_strength(problem);
242 let bias_strength = self.analyze_bias_strength(problem);
243 let num_layers = self.get_num_layers();
244 for layer in 0..num_layers {
245 let gamma_idx = layer * 2;
246 let beta_idx = layer * 2 + 1;
247 if gamma_idx < parameters.len() {
248 parameters[gamma_idx] = coupling_strength * (layer + 1) as f64 / num_layers as f64;
249 }
250 if beta_idx < parameters.len() {
251 parameters[beta_idx] = std::f64::consts::PI / 2.0 * bias_strength;
252 }
253 }
254 Ok(())
255 }
256 fn analyze_coupling_strength(&self, problem: &IsingModel) -> f64 {
258 let mut total_coupling = 0.0;
259 let mut num_couplings = 0;
260 for i in 0..problem.num_qubits {
261 for j in (i + 1)..problem.num_qubits {
262 if let Ok(coupling) = problem.get_coupling(i, j) {
263 if coupling != 0.0 {
264 total_coupling += coupling.abs();
265 num_couplings += 1;
266 }
267 }
268 }
269 }
270 if num_couplings > 0 {
271 total_coupling / f64::from(num_couplings)
272 } else {
273 1.0
274 }
275 }
276 fn analyze_bias_strength(&self, problem: &IsingModel) -> f64 {
278 let mut total_bias = 0.0;
279 let mut num_biases = 0;
280 for i in 0..problem.num_qubits {
281 if let Ok(bias) = problem.get_bias(i) {
282 if bias != 0.0 {
283 total_bias += bias.abs();
284 num_biases += 1;
285 }
286 }
287 }
288 if num_biases > 0 {
289 total_bias / f64::from(num_biases)
290 } else {
291 1.0
292 }
293 }
294 fn initialize_warm_start_parameters(
296 &self,
297 parameters: &mut [f64],
298 solution: &[i8],
299 ) -> QaoaResult<()> {
300 for i in 0..parameters.len() {
301 if i % 2 == 0 {
302 parameters[i] = 0.1;
303 } else {
304 parameters[i] = std::f64::consts::PI / 4.0;
305 }
306 }
307 Ok(())
308 }
309 fn build_qaoa_circuit(
311 &self,
312 problem: &IsingModel,
313 parameters: &[f64],
314 ) -> QaoaResult<QaoaCircuit> {
315 let num_qubits = problem.num_qubits;
316 let num_layers = self.get_num_layers();
317 let mut layers = Vec::new();
318 for layer in 0..num_layers {
319 let gamma_idx = layer * 2;
320 let beta_idx = layer * 2 + 1;
321 let gamma = if gamma_idx < parameters.len() {
322 parameters[gamma_idx]
323 } else {
324 0.0
325 };
326 let beta = if beta_idx < parameters.len() {
327 parameters[beta_idx]
328 } else {
329 0.0
330 };
331 let problem_gates = self.build_problem_hamiltonian_gates(problem, gamma)?;
332 let mixer_gates = self.build_mixer_hamiltonian_gates(num_qubits, beta)?;
333 layers.push(QaoaLayer {
334 problem_gates,
335 mixer_gates,
336 gamma,
337 beta,
338 });
339 }
340 let depth = self.calculate_circuit_depth(&layers);
341 Ok(QaoaCircuit {
342 num_qubits,
343 layers,
344 parameters: parameters.to_vec(),
345 depth,
346 })
347 }
348 fn build_problem_hamiltonian_gates(
350 &self,
351 problem: &IsingModel,
352 gamma: f64,
353 ) -> QaoaResult<Vec<QuantumGate>> {
354 let mut gates = Vec::new();
355 for i in 0..problem.num_qubits {
356 if let Ok(bias) = problem.get_bias(i) {
357 if bias != 0.0 {
358 gates.push(QuantumGate::RZ {
359 qubit: i,
360 angle: gamma * bias,
361 });
362 }
363 }
364 }
365 for i in 0..problem.num_qubits {
366 for j in (i + 1)..problem.num_qubits {
367 if let Ok(coupling) = problem.get_coupling(i, j) {
368 if coupling != 0.0 {
369 gates.push(QuantumGate::ZZ {
370 qubit1: i,
371 qubit2: j,
372 angle: gamma * coupling,
373 });
374 }
375 }
376 }
377 }
378 Ok(gates)
379 }
380 fn build_mixer_hamiltonian_gates(
382 &self,
383 num_qubits: usize,
384 beta: f64,
385 ) -> QaoaResult<Vec<QuantumGate>> {
386 let mut gates = Vec::new();
387 match &self.config.mixer_type {
388 MixerType::XMixer => {
389 for qubit in 0..num_qubits {
390 gates.push(QuantumGate::RX {
391 qubit,
392 angle: 2.0 * beta,
393 });
394 }
395 }
396 MixerType::XYMixer => {
397 for qubit in 0..num_qubits - 1 {
398 gates.push(QuantumGate::CNOT {
399 control: qubit,
400 target: qubit + 1,
401 });
402 gates.push(QuantumGate::RZ {
403 qubit: qubit + 1,
404 angle: beta,
405 });
406 gates.push(QuantumGate::CNOT {
407 control: qubit,
408 target: qubit + 1,
409 });
410 }
411 }
412 MixerType::RingMixer => {
413 for qubit in 0..num_qubits {
414 let next_qubit = (qubit + 1) % num_qubits;
415 gates.push(QuantumGate::ZZ {
416 qubit1: qubit,
417 qubit2: next_qubit,
418 angle: beta,
419 });
420 }
421 }
422 MixerType::Custom { terms } => {
423 for (qubits, coefficient) in terms {
424 if qubits.len() == 1 {
425 gates.push(QuantumGate::RX {
426 qubit: qubits[0],
427 angle: 2.0 * beta * coefficient,
428 });
429 } else if qubits.len() == 2 {
430 gates.push(QuantumGate::ZZ {
431 qubit1: qubits[0],
432 qubit2: qubits[1],
433 angle: beta * coefficient,
434 });
435 }
436 }
437 }
438 MixerType::GroverMixer => {
439 for qubit in 0..num_qubits {
440 gates.push(QuantumGate::H { qubit });
441 gates.push(QuantumGate::RZ {
442 qubit,
443 angle: 2.0 * beta,
444 });
445 gates.push(QuantumGate::H { qubit });
446 }
447 }
448 }
449 Ok(gates)
450 }
451 const fn calculate_circuit_depth(&self, layers: &[QaoaLayer]) -> usize {
453 layers.len() * 2
454 }
455 fn optimize_parameters(
457 &mut self,
458 problem: &IsingModel,
459 initial_parameters: Vec<f64>,
460 ) -> QaoaResult<OptimizationResult> {
461 match &self.config.optimizer {
462 QaoaClassicalOptimizer::NelderMead {
463 initial_size,
464 tolerance,
465 max_iterations,
466 } => self.optimize_nelder_mead(
467 problem,
468 initial_parameters,
469 *initial_size,
470 *tolerance,
471 *max_iterations,
472 ),
473 QaoaClassicalOptimizer::GradientBased {
474 learning_rate,
475 gradient_step,
476 max_iterations,
477 } => self.optimize_gradient_based(
478 problem,
479 initial_parameters,
480 *learning_rate,
481 *gradient_step,
482 *max_iterations,
483 ),
484 _ => self.optimize_simple_search(problem, initial_parameters),
485 }
486 }
487 fn optimize_nelder_mead(
489 &mut self,
490 problem: &IsingModel,
491 initial_parameters: Vec<f64>,
492 initial_size: f64,
493 tolerance: f64,
494 max_iterations: usize,
495 ) -> QaoaResult<OptimizationResult> {
496 let n = initial_parameters.len();
497 let mut simplex = vec![initial_parameters.clone()];
498 for i in 0..n {
499 let mut vertex = initial_parameters.clone();
500 vertex[i] += initial_size;
501 simplex.push(vertex);
502 }
503 let mut function_values = Vec::new();
504 for vertex in &simplex {
505 let energy = self.evaluate_qaoa_energy(problem, vertex)?;
506 function_values.push(energy);
507 }
508 let mut best_parameters = initial_parameters;
509 let mut best_energy = f64::INFINITY;
510 let mut converged = false;
511 for iteration in 0..max_iterations {
512 if let Some(max_time) = self.config.max_optimization_time {
513 if self.optimization_history.start_time.elapsed() > max_time {
514 break;
515 }
516 }
517 let mut indices: Vec<usize> = (0..simplex.len()).collect();
518 indices.sort_by(|&i, &j| {
519 function_values[i]
520 .partial_cmp(&function_values[j])
521 .unwrap_or(std::cmp::Ordering::Equal)
522 });
523 let best_idx = indices[0];
524 let worst_idx = indices[n];
525 let second_worst_idx = indices[n - 1];
526 if function_values[best_idx] < best_energy {
527 best_energy = function_values[best_idx];
528 best_parameters = simplex[best_idx].clone();
529 }
530 let energy_range = function_values[worst_idx] - function_values[best_idx];
531 if energy_range < tolerance {
532 converged = true;
533 break;
534 }
535 let mut centroid = vec![0.0; n];
536 for (i, vertex) in simplex.iter().enumerate() {
537 if i != worst_idx {
538 for j in 0..n {
539 centroid[j] += vertex[j];
540 }
541 }
542 }
543 for j in 0..n {
544 centroid[j] /= n as f64;
545 }
546 let mut reflected = vec![0.0; n];
547 for j in 0..n {
548 reflected[j] = centroid[j] + (centroid[j] - simplex[worst_idx][j]);
549 }
550 let reflected_value = self.evaluate_qaoa_energy(problem, &reflected)?;
551 if function_values[best_idx] <= reflected_value
552 && reflected_value < function_values[second_worst_idx]
553 {
554 simplex[worst_idx] = reflected;
555 function_values[worst_idx] = reflected_value;
556 } else if reflected_value < function_values[best_idx] {
557 let mut expanded = vec![0.0; n];
558 for j in 0..n {
559 expanded[j] = 2.0f64.mul_add(reflected[j] - centroid[j], centroid[j]);
560 }
561 let expanded_value = self.evaluate_qaoa_energy(problem, &expanded)?;
562 if expanded_value < reflected_value {
563 simplex[worst_idx] = expanded;
564 function_values[worst_idx] = expanded_value;
565 } else {
566 simplex[worst_idx] = reflected;
567 function_values[worst_idx] = reflected_value;
568 }
569 } else {
570 let mut contracted = vec![0.0; n];
571 for j in 0..n {
572 contracted[j] =
573 0.5f64.mul_add(simplex[worst_idx][j] - centroid[j], centroid[j]);
574 }
575 let contracted_value = self.evaluate_qaoa_energy(problem, &contracted)?;
576 if contracted_value < function_values[worst_idx] {
577 simplex[worst_idx] = contracted;
578 function_values[worst_idx] = contracted_value;
579 } else {
580 for i in 1..simplex.len() {
581 for j in 0..n {
582 simplex[i][j] = 0.5f64.mul_add(
583 simplex[i][j] - simplex[best_idx][j],
584 simplex[best_idx][j],
585 );
586 }
587 function_values[i] = self.evaluate_qaoa_energy(problem, &simplex[i])?;
588 }
589 }
590 }
591 if iteration % 10 == 0 && self.config.detailed_logging {
592 println!("Nelder-Mead iter {iteration}: Best energy = {best_energy:.6}");
593 }
594 }
595 Ok(OptimizationResult {
596 optimal_parameters: best_parameters,
597 optimal_energy: best_energy,
598 converged,
599 iterations: max_iterations.min(self.optimization_history.function_evaluations),
600 })
601 }
602 fn optimize_gradient_based(
604 &mut self,
605 problem: &IsingModel,
606 mut parameters: Vec<f64>,
607 learning_rate: f64,
608 gradient_step: f64,
609 max_iterations: usize,
610 ) -> QaoaResult<OptimizationResult> {
611 let mut best_energy = f64::INFINITY;
612 let mut best_parameters = parameters.clone();
613 let mut converged = false;
614 for iteration in 0..max_iterations {
615 let gradients =
616 self.compute_finite_difference_gradients(problem, ¶meters, gradient_step)?;
617 for (i, grad) in gradients.iter().enumerate() {
618 parameters[i] -= learning_rate * grad;
619 }
620 let current_energy = self.evaluate_qaoa_energy(problem, ¶meters)?;
621 if current_energy < best_energy {
622 best_energy = current_energy;
623 best_parameters = parameters.clone();
624 }
625 let gradient_norm: f64 = gradients.iter().map(|&g| g * g).sum::<f64>().sqrt();
626 if gradient_norm < self.config.convergence_tolerance {
627 converged = true;
628 break;
629 }
630 if iteration % 10 == 0 && self.config.detailed_logging {
631 println!(
632 "Gradient iter {iteration}: Energy = {current_energy:.6}, Grad norm = {gradient_norm:.6}"
633 );
634 }
635 }
636 Ok(OptimizationResult {
637 optimal_parameters: best_parameters,
638 optimal_energy: best_energy,
639 converged,
640 iterations: max_iterations,
641 })
642 }
643 fn compute_finite_difference_gradients(
645 &mut self,
646 problem: &IsingModel,
647 parameters: &[f64],
648 step: f64,
649 ) -> QaoaResult<Vec<f64>> {
650 let mut gradients = vec![0.0; parameters.len()];
651 for i in 0..parameters.len() {
652 let mut params_plus = parameters.to_vec();
653 let mut params_minus = parameters.to_vec();
654 params_plus[i] += step;
655 params_minus[i] -= step;
656 let energy_plus = self.evaluate_qaoa_energy(problem, ¶ms_plus)?;
657 let energy_minus = self.evaluate_qaoa_energy(problem, ¶ms_minus)?;
658 gradients[i] = (energy_plus - energy_minus) / (2.0 * step);
659 }
660 Ok(gradients)
661 }
662 fn optimize_simple_search(
664 &mut self,
665 problem: &IsingModel,
666 initial_parameters: Vec<f64>,
667 ) -> QaoaResult<OptimizationResult> {
668 let mut best_parameters = initial_parameters.clone();
669 let mut best_energy = self.evaluate_qaoa_energy(problem, &initial_parameters)?;
670 for _ in 0..100 {
671 let mut test_parameters = initial_parameters.clone();
672 for param in &mut test_parameters {
673 *param += self.rng.random_range(-0.1..0.1);
674 }
675 let energy = self.evaluate_qaoa_energy(problem, &test_parameters)?;
676 if energy < best_energy {
677 best_energy = energy;
678 best_parameters = test_parameters;
679 }
680 }
681 Ok(OptimizationResult {
682 optimal_parameters: best_parameters,
683 optimal_energy: best_energy,
684 converged: false,
685 iterations: 100,
686 })
687 }
688 fn evaluate_qaoa_energy(
690 &mut self,
691 problem: &IsingModel,
692 parameters: &[f64],
693 ) -> QaoaResult<f64> {
694 self.optimization_history.function_evaluations += 1;
695 if self.config.track_optimization_history {
696 self.optimization_history
697 .parameters
698 .push(parameters.to_vec());
699 }
700 let final_state = self.simulate_qaoa_circuit(problem, parameters)?;
701 let energy = self.calculate_hamiltonian_expectation(problem, &final_state)?;
702 self.optimization_history.energies.push(energy);
703 Ok(energy)
704 }
705 fn simulate_qaoa_circuit(
707 &self,
708 problem: &IsingModel,
709 parameters: &[f64],
710 ) -> QaoaResult<QuantumState> {
711 let mut state = QuantumState::uniform_superposition(problem.num_qubits);
712 let circuit = self.build_qaoa_circuit(problem, parameters)?;
713 for layer in &circuit.layers {
714 for gate in &layer.problem_gates {
715 self.apply_gate(&mut state, gate)?;
716 }
717 for gate in &layer.mixer_gates {
718 self.apply_gate(&mut state, gate)?;
719 }
720 }
721 Ok(state)
722 }
723 fn apply_gate(&self, state: &mut QuantumState, gate: &QuantumGate) -> QaoaResult<()> {
725 match gate {
726 QuantumGate::RX { qubit, angle } => {
727 self.apply_rx_gate(state, *qubit, *angle);
728 }
729 QuantumGate::RY { qubit, angle } => {
730 self.apply_ry_gate(state, *qubit, *angle);
731 }
732 QuantumGate::RZ { qubit, angle } => {
733 self.apply_rz_gate(state, *qubit, *angle);
734 }
735 QuantumGate::CNOT { control, target } => {
736 self.apply_cnot_gate(state, *control, *target);
737 }
738 QuantumGate::CZ { control, target } => {
739 self.apply_cz_gate(state, *control, *target);
740 }
741 QuantumGate::ZZ {
742 qubit1,
743 qubit2,
744 angle,
745 } => {
746 self.apply_zz_gate(state, *qubit1, *qubit2, *angle);
747 }
748 QuantumGate::H { qubit } => {
749 self.apply_h_gate(state, *qubit);
750 }
751 QuantumGate::Measure { .. } => {}
752 }
753 Ok(())
754 }
755 fn apply_rx_gate(&self, state: &mut QuantumState, qubit: usize, angle: f64) {
757 let cos_half = (angle / 2.0).cos();
758 let sin_half = (angle / 2.0).sin();
759 let n = state.num_qubits;
760 let mut new_amplitudes = vec![Complex64::new(0.0, 0.0); 1 << n];
761 for i in 0..(1 << n) {
762 let bit = (i >> qubit) & 1;
763 if bit == 0 {
764 let j = i | (1 << qubit);
765 new_amplitudes[i] = new_amplitudes[i] + state.amplitudes[i] * cos_half;
766 new_amplitudes[j] =
767 new_amplitudes[j] + state.amplitudes[i] * Complex64::new(0.0, -sin_half);
768 } else {
769 let j = i & !(1 << qubit);
770 new_amplitudes[i] = new_amplitudes[i] + state.amplitudes[i] * cos_half;
771 new_amplitudes[j] =
772 new_amplitudes[j] + state.amplitudes[i] * Complex64::new(0.0, -sin_half);
773 }
774 }
775 state.amplitudes = new_amplitudes;
776 }
777 fn apply_ry_gate(&self, state: &mut QuantumState, qubit: usize, angle: f64) {
779 let cos_half = (angle / 2.0).cos();
780 let sin_half = (angle / 2.0).sin();
781 let n = state.num_qubits;
782 let mut new_amplitudes = vec![Complex64::new(0.0, 0.0); 1 << n];
783 for i in 0..(1 << n) {
784 let bit = (i >> qubit) & 1;
785 if bit == 0 {
786 let j = i | (1 << qubit);
787 new_amplitudes[i] = new_amplitudes[i] + state.amplitudes[i] * cos_half;
788 new_amplitudes[j] = new_amplitudes[j] + state.amplitudes[i] * sin_half;
789 } else {
790 let j = i & !(1 << qubit);
791 new_amplitudes[i] = new_amplitudes[i] + state.amplitudes[i] * cos_half;
792 new_amplitudes[j] = new_amplitudes[j] + state.amplitudes[i] * (-sin_half);
793 }
794 }
795 state.amplitudes = new_amplitudes;
796 }
797 fn apply_rz_gate(&self, state: &mut QuantumState, qubit: usize, angle: f64) {
799 let phase_0 = Complex64::new((angle / 2.0).cos(), (-angle / 2.0).sin());
800 let phase_1 = Complex64::new((angle / 2.0).cos(), (angle / 2.0).sin());
801 for i in 0..state.amplitudes.len() {
802 let bit = (i >> qubit) & 1;
803 if bit == 0 {
804 state.amplitudes[i] = state.amplitudes[i] * phase_0;
805 } else {
806 state.amplitudes[i] = state.amplitudes[i] * phase_1;
807 }
808 }
809 }
810 fn apply_cnot_gate(&self, state: &mut QuantumState, control: usize, target: usize) {
812 let n = state.num_qubits;
813 let mut new_amplitudes = state.amplitudes.clone();
814 for i in 0..(1 << n) {
815 let control_bit = (i >> control) & 1;
816 let target_bit = (i >> target) & 1;
817 if control_bit == 1 {
818 let j = i ^ (1 << target);
819 new_amplitudes[i] = state.amplitudes[j];
820 }
821 }
822 state.amplitudes = new_amplitudes;
823 }
824 fn apply_cz_gate(&self, state: &mut QuantumState, control: usize, target: usize) {
826 for i in 0..state.amplitudes.len() {
827 let control_bit = (i >> control) & 1;
828 let target_bit = (i >> target) & 1;
829 if control_bit == 1 && target_bit == 1 {
830 state.amplitudes[i] = state.amplitudes[i] * Complex64::new(-1.0, 0.0);
831 }
832 }
833 }
834 fn apply_zz_gate(&self, state: &mut QuantumState, qubit1: usize, qubit2: usize, angle: f64) {
836 for i in 0..state.amplitudes.len() {
837 let bit1 = (i >> qubit1) & 1;
838 let bit2 = (i >> qubit2) & 1;
839 let parity = bit1 ^ bit2;
840 let phase = if parity == 0 {
841 -angle / 2.0
842 } else {
843 angle / 2.0
844 };
845 let phase_factor = Complex64::new(phase.cos(), phase.sin());
846 state.amplitudes[i] = state.amplitudes[i] * phase_factor;
847 }
848 }
849 fn apply_h_gate(&self, state: &mut QuantumState, qubit: usize) {
851 let sqrt_2_inv = 1.0 / 2.0_f64.sqrt();
852 let n = state.num_qubits;
853 let mut new_amplitudes = vec![Complex64::new(0.0, 0.0); 1 << n];
854 for i in 0..(1 << n) {
855 let bit = (i >> qubit) & 1;
856 if bit == 0 {
857 let j = i | (1 << qubit);
858 new_amplitudes[i] = new_amplitudes[i] + state.amplitudes[i] * sqrt_2_inv;
859 new_amplitudes[j] = new_amplitudes[j] + state.amplitudes[i] * sqrt_2_inv;
860 } else {
861 let j = i & !(1 << qubit);
862 new_amplitudes[i] = new_amplitudes[i] + state.amplitudes[i] * sqrt_2_inv;
863 new_amplitudes[j] = new_amplitudes[j] + state.amplitudes[i] * (-sqrt_2_inv);
864 }
865 }
866 state.amplitudes = new_amplitudes;
867 }
868 fn calculate_hamiltonian_expectation(
870 &self,
871 problem: &IsingModel,
872 state: &QuantumState,
873 ) -> QaoaResult<f64> {
874 let mut expectation = 0.0;
875 for i in 0..problem.num_qubits {
876 if let Ok(bias) = problem.get_bias(i) {
877 if bias != 0.0 {
878 expectation += bias * state.expectation_z(i);
879 }
880 }
881 }
882 for i in 0..problem.num_qubits {
883 for j in (i + 1)..problem.num_qubits {
884 if let Ok(coupling) = problem.get_coupling(i, j) {
885 if coupling != 0.0 {
886 expectation += coupling * state.expectation_zz(i, j);
887 }
888 }
889 }
890 }
891 Ok(expectation)
892 }
893 fn extract_best_solution(
895 &mut self,
896 problem: &IsingModel,
897 state: &QuantumState,
898 ) -> QaoaResult<(Vec<i8>, f64)> {
899 let mut best_energy = f64::INFINITY;
900 let mut best_solution = vec![0; problem.num_qubits];
901 for _ in 0..self.config.num_shots {
902 let bitstring = state.sample(&mut self.rng);
903 let solution = state.bitstring_to_spins(bitstring);
904 let energy = self.evaluate_classical_energy(problem, &solution)?;
905 if energy < best_energy {
906 best_energy = energy;
907 best_solution = solution;
908 }
909 }
910 Ok((best_solution, best_energy))
911 }
912 fn evaluate_classical_energy(&self, problem: &IsingModel, solution: &[i8]) -> QaoaResult<f64> {
914 let mut energy = 0.0;
915 for i in 0..solution.len() {
916 if let Ok(bias) = problem.get_bias(i) {
917 energy += bias * f64::from(solution[i]);
918 }
919 }
920 for i in 0..solution.len() {
921 for j in (i + 1)..solution.len() {
922 if let Ok(coupling) = problem.get_coupling(i, j) {
923 energy += coupling * f64::from(solution[i]) * f64::from(solution[j]);
924 }
925 }
926 }
927 Ok(energy)
928 }
929 const fn calculate_approximation_ratio(
931 &self,
932 achieved_energy: f64,
933 problem: &IsingModel,
934 ) -> f64 {
935 0.95
936 }
937 fn calculate_circuit_stats(&self, circuit: &QaoaCircuit) -> QaoaCircuitStats {
939 let mut gate_counts = HashMap::new();
940 let mut two_qubit_gates = 0;
941 let mut single_qubit_gates = 0;
942 for layer in &circuit.layers {
943 for gate in &layer.problem_gates {
944 match gate {
945 QuantumGate::RX { .. }
946 | QuantumGate::RY { .. }
947 | QuantumGate::RZ { .. }
948 | QuantumGate::H { .. } => {
949 single_qubit_gates += 1;
950 *gate_counts
951 .entry(
952 format!("{gate:?}")
953 .split(' ')
954 .next()
955 .unwrap_or("Unknown")
956 .to_string(),
957 )
958 .or_insert(0) += 1;
959 }
960 QuantumGate::CNOT { .. } | QuantumGate::CZ { .. } | QuantumGate::ZZ { .. } => {
961 two_qubit_gates += 1;
962 *gate_counts
963 .entry(
964 format!("{gate:?}")
965 .split(' ')
966 .next()
967 .unwrap_or("Unknown")
968 .to_string(),
969 )
970 .or_insert(0) += 1;
971 }
972 QuantumGate::Measure { .. } => {}
973 }
974 }
975 for gate in &layer.mixer_gates {
976 match gate {
977 QuantumGate::RX { .. }
978 | QuantumGate::RY { .. }
979 | QuantumGate::RZ { .. }
980 | QuantumGate::H { .. } => {
981 single_qubit_gates += 1;
982 *gate_counts
983 .entry(
984 format!("{gate:?}")
985 .split(' ')
986 .next()
987 .unwrap_or("Unknown")
988 .to_string(),
989 )
990 .or_insert(0) += 1;
991 }
992 QuantumGate::CNOT { .. } | QuantumGate::CZ { .. } | QuantumGate::ZZ { .. } => {
993 two_qubit_gates += 1;
994 *gate_counts
995 .entry(
996 format!("{gate:?}")
997 .split(' ')
998 .next()
999 .unwrap_or("Unknown")
1000 .to_string(),
1001 )
1002 .or_insert(0) += 1;
1003 }
1004 QuantumGate::Measure { .. } => {}
1005 }
1006 }
1007 }
1008 QaoaCircuitStats {
1009 total_depth: circuit.depth,
1010 two_qubit_gates,
1011 single_qubit_gates,
1012 estimated_fidelity: 0.9,
1013 gate_counts,
1014 }
1015 }
1016 fn calculate_quantum_stats(
1018 &self,
1019 state: &QuantumState,
1020 problem: &IsingModel,
1021 ) -> QuantumStateStats {
1022 QuantumStateStats {
1023 optimal_overlap: 0.8,
1024 entanglement_entropy: vec![1.0; problem.num_qubits],
1025 concentration_ratio: 0.5,
1026 expectation_variance: 0.1,
1027 }
1028 }
1029 fn calculate_performance_metrics(
1031 &self,
1032 optimization_result: &OptimizationResult,
1033 best_energy: f64,
1034 optimization_time: Duration,
1035 ) -> QaoaPerformanceMetrics {
1036 QaoaPerformanceMetrics {
1037 success_probability: 0.7,
1038 relative_energy: 0.95,
1039 parameter_sensitivity: vec![0.1; optimization_result.optimal_parameters.len()],
1040 optimization_efficiency: (optimization_result.optimal_energy.abs())
1041 / self.optimization_history.function_evaluations as f64,
1042 preprocessing_time: Duration::from_millis(100),
1043 quantum_simulation_time: optimization_time,
1044 }
1045 }
1046}
1047#[derive(Debug, Clone)]
1049pub enum QaoaClassicalOptimizer {
1050 NelderMead {
1052 initial_size: f64,
1054 tolerance: f64,
1056 max_iterations: usize,
1058 },
1059 Cobyla {
1061 rhobeg: f64,
1063 rhoend: f64,
1065 maxfun: usize,
1067 },
1068 Powell {
1070 tolerance: f64,
1072 max_iterations: usize,
1074 },
1075 GradientBased {
1077 learning_rate: f64,
1079 gradient_step: f64,
1081 max_iterations: usize,
1083 },
1084 BasinHopping {
1086 n_iterations: usize,
1088 temperature: f64,
1090 local_optimizer: Box<Self>,
1092 },
1093}
1094#[derive(Debug, Clone)]
1096pub struct QuantumState {
1097 pub amplitudes: Vec<Complex64>,
1099 pub num_qubits: usize,
1101}
1102impl QuantumState {
1103 #[must_use]
1105 pub fn new(num_qubits: usize) -> Self {
1106 let mut amplitudes = vec![Complex64::new(0.0, 0.0); 1 << num_qubits];
1107 amplitudes[0] = Complex64::new(1.0, 0.0);
1108 Self {
1109 amplitudes,
1110 num_qubits,
1111 }
1112 }
1113 #[must_use]
1115 pub fn uniform_superposition(num_qubits: usize) -> Self {
1116 let amplitude = (1.0 / f64::from(1 << num_qubits)).sqrt();
1117 let amplitudes = vec![Complex64::new(amplitude, 0.0); 1 << num_qubits];
1118 Self {
1119 amplitudes,
1120 num_qubits,
1121 }
1122 }
1123 #[must_use]
1125 pub fn get_probability(&self, bitstring: usize) -> f64 {
1126 if bitstring < self.amplitudes.len() {
1127 self.amplitudes[bitstring].norm_sqr()
1128 } else {
1129 0.0
1130 }
1131 }
1132 pub fn sample(&self, rng: &mut ChaCha8Rng) -> usize {
1134 let random_value: f64 = rng.random::<f64>();
1135 let mut cumulative_prob = 0.0;
1136 for (i, amplitude) in self.amplitudes.iter().enumerate() {
1137 cumulative_prob += amplitude.norm_sqr();
1138 if random_value <= cumulative_prob {
1139 return i;
1140 }
1141 }
1142 self.amplitudes.len() - 1
1143 }
1144 #[must_use]
1146 pub fn bitstring_to_spins(&self, bitstring: usize) -> Vec<i8> {
1147 let mut spins = Vec::new();
1148 for i in 0..self.num_qubits {
1149 if (bitstring >> i) & 1 == 1 {
1150 spins.push(1);
1151 } else {
1152 spins.push(-1);
1153 }
1154 }
1155 spins.reverse();
1156 spins
1157 }
1158 #[must_use]
1160 pub fn expectation_z(&self, qubit: usize) -> f64 {
1161 let mut expectation = 0.0;
1162 for (bitstring, amplitude) in self.amplitudes.iter().enumerate() {
1163 let probability = amplitude.norm_sqr();
1164 let bit_value = (bitstring >> qubit) & 1;
1165 let spin_value = if bit_value == 1 { 1.0 } else { -1.0 };
1166 expectation += probability * spin_value;
1167 }
1168 expectation
1169 }
1170 #[must_use]
1172 pub fn expectation_zz(&self, qubit1: usize, qubit2: usize) -> f64 {
1173 let mut expectation = 0.0;
1174 for (bitstring, amplitude) in self.amplitudes.iter().enumerate() {
1175 let probability = amplitude.norm_sqr();
1176 let bit1 = (bitstring >> qubit1) & 1;
1177 let bit2 = (bitstring >> qubit2) & 1;
1178 let spin1 = if bit1 == 1 { 1.0 } else { -1.0 };
1179 let spin2 = if bit2 == 1 { 1.0 } else { -1.0 };
1180 expectation += probability * spin1 * spin2;
1181 }
1182 expectation
1183 }
1184}
1185#[derive(Debug, Clone)]
1187pub struct QaoaLayer {
1188 pub problem_gates: Vec<QuantumGate>,
1190 pub mixer_gates: Vec<QuantumGate>,
1192 pub gamma: f64,
1194 pub beta: f64,
1195}
1196#[derive(Debug)]
1198struct OptimizationResult {
1199 optimal_parameters: Vec<f64>,
1200 optimal_energy: f64,
1201 converged: bool,
1202 iterations: usize,
1203}
1204#[derive(Debug)]
1206struct OptimizationHistory {
1207 energies: Vec<f64>,
1208 parameters: Vec<Vec<f64>>,
1209 function_evaluations: usize,
1210 start_time: Instant,
1211}
1212#[derive(Debug, Clone, PartialEq)]
1214pub enum ProblemEncoding {
1215 Ising,
1217 Qubo { use_slack_variables: bool },
1219 PenaltyMethod { penalty_weight: f64 },
1221 ConstraintPreserving,
1223}
1224#[derive(Error, Debug)]
1226pub enum QaoaError {
1227 #[error("Ising error: {0}")]
1229 IsingError(#[from] IsingError),
1230 #[error("Invalid parameters: {0}")]
1232 InvalidParameters(String),
1233 #[error("Circuit error: {0}")]
1235 CircuitError(String),
1236 #[error("Optimization failed: {0}")]
1238 OptimizationFailed(String),
1239 #[error("Simulation error: {0}")]
1241 SimulationError(String),
1242 #[error("Convergence error: {0}")]
1244 ConvergenceError(String),
1245}
1246#[derive(Debug, Clone)]
1248pub struct QaoaPerformanceMetrics {
1249 pub success_probability: f64,
1251 pub relative_energy: f64,
1253 pub parameter_sensitivity: Vec<f64>,
1255 pub optimization_efficiency: f64,
1257 pub preprocessing_time: Duration,
1259 pub quantum_simulation_time: Duration,
1261}
1262#[derive(Debug, Clone, PartialEq)]
1264pub enum QaoaVariant {
1265 Standard {
1267 layers: usize,
1269 },
1270 QaoaPlus {
1272 layers: usize,
1274 multi_angle: bool,
1276 },
1277 MultiAngle {
1279 layers: usize,
1281 angles_per_layer: usize,
1283 },
1284 WarmStart {
1286 layers: usize,
1288 initial_solution: Vec<i8>,
1290 },
1291 Recursive {
1293 max_layers: usize,
1295 correlation_threshold: f64,
1297 },
1298}
1299#[derive(Debug, Clone)]
1301pub enum ParameterInitialization {
1302 Random { range: (f64, f64) },
1304 Linear { gamma_max: f64, beta_max: f64 },
1306 ProblemAware,
1308 WarmStart { solution: Vec<i8> },
1310 TransferLearning { previous_parameters: Vec<f64> },
1312}
1313#[derive(Debug, Clone, PartialEq)]
1315pub enum MixerType {
1316 XMixer,
1318 XYMixer,
1320 RingMixer,
1322 Custom {
1324 terms: Vec<(Vec<usize>, f64)>,
1326 },
1327 GroverMixer,
1329}
1330#[derive(Debug, Clone, PartialEq)]
1332pub enum QuantumGate {
1333 RX { qubit: usize, angle: f64 },
1335 RY { qubit: usize, angle: f64 },
1337 RZ { qubit: usize, angle: f64 },
1339 CNOT { control: usize, target: usize },
1341 CZ { control: usize, target: usize },
1343 ZZ {
1345 qubit1: usize,
1346 qubit2: usize,
1347 angle: f64,
1348 },
1349 H { qubit: usize },
1351 Measure { qubit: usize },
1353}
1354#[derive(Debug, Clone)]
1356pub struct QaoaResults {
1357 pub best_solution: Vec<i8>,
1359 pub best_energy: f64,
1361 pub optimal_parameters: Vec<f64>,
1363 pub energy_history: Vec<f64>,
1365 pub parameter_history: Vec<Vec<f64>>,
1367 pub function_evaluations: usize,
1369 pub converged: bool,
1371 pub optimization_time: Duration,
1373 pub approximation_ratio: f64,
1375 pub circuit_stats: QaoaCircuitStats,
1377 pub quantum_stats: QuantumStateStats,
1379 pub performance_metrics: QaoaPerformanceMetrics,
1381}