quantrs2-circuit 0.1.3

Quantum circuit representation and DSL for the QuantRS2 framework
Documentation
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400
401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421
422
423
424
425
426
427
428
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
450
451
452
453
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
481
482
483
484
485
486
487
488
489
490
491
492
493
494
495
496
497
498
499
500
501
502
503
504
505
506
507
508
509
510
511
512
513
514
515
516
517
518
519
520
521
522
523
524
525
526
527
528
529
530
531
532
533
534
535
536
537
538
539
540
541
542
543
544
545
546
547
548
549
550
551
552
553
554
555
556
557
558
559
560
561
562
563
564
565
566
567
568
569
570
571
572
573
574
575
576
577
578
579
580
581
582
583
584
585
586
587
588
589
590
591
592
593
594
595
596
597
598
599
600
601
602
603
604
605
606
607
608
609
610
611
612
613
614
615
616
617
618
619
620
621
622
623
624
625
626
627
628
629
630
631
632
633
634
635
636
637
638
639
640
641
642
643
644
645
646
647
648
649
650
651
652
653
654
655
656
657
658
659
660
661
662
663
664
665
666
667
668
669
670
671
672
673
674
675
676
677
678
679
680
681
682
683
684
685
686
687
688
689
690
691
692
693
694
695
696
697
698
699
700
701
702
703
704
705
706
707
708
709
710
711
712
713
714
715
716
717
718
719
720
721
722
723
724
725
726
727
728
729
730
731
732
733
734
735
736
737
738
739
740
741
742
743
744
745
746
747
748
749
750
751
752
753
754
755
756
757
758
759
760
761
762
763
764
765
766
767
768
769
770
771
772
773
774
775
776
777
778
779
780
781
782
783
784
785
786
787
788
789
790
791
792
793
794
795
796
797
798
799
800
801
802
803
804
805
806
807
808
809
810
811
812
813
814
815
816
817
818
819
820
821
822
823
824
825
826
827
828
829
830
831
832
833
834
835
836
837
838
839
840
841
842
843
844
845
846
847
848
849
850
851
852
853
854
855
856
857
858
859
860
861
862
863
864
865
866
867
868
869
870
871
872
873
874
875
876
877
878
879
880
881
882
883
884
885
886
887
888
889
890
891
892
893
894
895
896
897
898
899
900
901
902
903
904
905
906
907
908
909
910
911
912
913
914
915
916
917
918
919
920
921
922
923
924
925
926
927
928
929
930
931
932
933
934
935
936
937
938
939
940
941
942
943
944
945
946
947
948
949
950
951
952
953
954
955
956
957
958
959
960
961
962
963
964
965
966
967
968
969
970
971
972
973
974
975
976
977
978
979
980
981
982
983
984
985
986
987
988
989
990
991
992
993
994
995
996
997
998
999
1000
1001
1002
1003
1004
1005
1006
1007
1008
1009
1010
1011
1012
1013
1014
1015
1016
1017
1018
1019
1020
1021
1022
1023
1024
1025
1026
1027
1028
1029
1030
1031
1032
1033
1034
1035
1036
1037
1038
1039
1040
1041
1042
1043
1044
1045
1046
1047
1048
1049
1050
1051
1052
1053
1054
1055
1056
1057
1058
1059
1060
1061
1062
1063
1064
1065
1066
1067
1068
1069
1070
1071
1072
1073
1074
1075
1076
1077
1078
1079
1080
1081
1082
1083
1084
1085
1086
1087
1088
1089
1090
1091
1092
1093
1094
1095
1096
1097
//! `SciRS2` optimization integration for parameter tuning
//!
//! This module integrates `SciRS2`'s advanced optimization capabilities for quantum circuit
//! parameter optimization, variational algorithms, and machine learning-enhanced optimization.

use crate::builder::Circuit;
use crate::scirs2_matrices::SparseMatrix;
use quantrs2_core::{
    error::{QuantRS2Error, QuantRS2Result},
    gate::GateOp,
    qubit::QubitId,
};
use scirs2_core::Complex64;
use serde::{Deserialize, Serialize};
use std::collections::HashMap;
use std::sync::{Arc, Mutex};

// Placeholder types representing SciRS2 optimization interface
// In the real implementation, these would be imported from SciRS2

/// Optimization objective function
pub trait ObjectiveFunction: Send + Sync {
    /// Evaluate the objective at given parameters
    fn evaluate(&self, parameters: &[f64]) -> f64;

    /// Compute gradient if available
    fn gradient(&self, parameters: &[f64]) -> Option<Vec<f64>> {
        None
    }

    /// Compute Hessian if available
    fn hessian(&self, parameters: &[f64]) -> Option<Vec<Vec<f64>>> {
        None
    }

    /// Get parameter bounds
    fn bounds(&self) -> Vec<(f64, f64)>;

    /// Get objective name
    fn name(&self) -> &str;
}

/// `SciRS2` optimization algorithms
#[derive(Debug, Clone, PartialEq)]
pub enum OptimizationAlgorithm {
    /// Gradient descent variants
    GradientDescent { learning_rate: f64, momentum: f64 },
    /// Adam optimizer
    Adam {
        learning_rate: f64,
        beta1: f64,
        beta2: f64,
        epsilon: f64,
    },
    /// L-BFGS-B
    LBFGSB {
        max_iterations: usize,
        tolerance: f64,
    },
    /// Nelder-Mead simplex
    NelderMead {
        max_iterations: usize,
        tolerance: f64,
    },
    /// Simulated annealing
    SimulatedAnnealing {
        initial_temperature: f64,
        cooling_rate: f64,
        min_temperature: f64,
    },
    /// Genetic algorithm
    GeneticAlgorithm {
        population_size: usize,
        mutation_rate: f64,
        crossover_rate: f64,
    },
    /// Particle swarm optimization
    ParticleSwarm {
        num_particles: usize,
        inertia_weight: f64,
        cognitive_weight: f64,
        social_weight: f64,
    },
    /// Bayesian optimization
    BayesianOptimization {
        acquisition_function: AcquisitionFunction,
        kernel: KernelType,
        num_initial_samples: usize,
    },
    /// Quantum approximate optimization algorithm (QAOA)
    QAOA {
        num_layers: usize,
        classical_optimizer: Box<Self>,
    },
}

/// Acquisition functions for Bayesian optimization
#[derive(Debug, Clone, PartialEq)]
pub enum AcquisitionFunction {
    ExpectedImprovement,
    ProbabilityOfImprovement,
    UpperConfidenceBound { kappa: f64 },
    Thompson,
}

/// Kernel types for Gaussian processes
#[derive(Debug, Clone, PartialEq)]
pub enum KernelType {
    RBF { length_scale: f64 },
    Matern { nu: f64, length_scale: f64 },
    Linear { variance: f64 },
    Periodic { period: f64, length_scale: f64 },
}

/// Optimization configuration
pub struct OptimizationConfig {
    /// Optimization algorithm
    pub algorithm: OptimizationAlgorithm,
    /// Maximum number of function evaluations
    pub max_evaluations: usize,
    /// Convergence tolerance
    pub tolerance: f64,
    /// Random seed for reproducibility
    pub seed: Option<u64>,
    /// Parallel evaluation of objective
    pub parallel: bool,
    /// Number of threads for parallel evaluation
    pub num_threads: Option<usize>,
    /// Progress callback
    pub progress_callback: Option<Box<dyn Fn(usize, f64) + Send + Sync>>,
    /// Early stopping criteria
    pub early_stopping: Option<EarlyStoppingCriteria>,
}

impl std::fmt::Debug for OptimizationConfig {
    fn fmt(&self, f: &mut std::fmt::Formatter<'_>) -> std::fmt::Result {
        f.debug_struct("OptimizationConfig")
            .field("algorithm", &self.algorithm)
            .field("max_evaluations", &self.max_evaluations)
            .field("tolerance", &self.tolerance)
            .field("seed", &self.seed)
            .field("parallel", &self.parallel)
            .field("num_threads", &self.num_threads)
            .field(
                "progress_callback",
                &self.progress_callback.as_ref().map(|_| "Some(callback)"),
            )
            .field("early_stopping", &self.early_stopping)
            .finish()
    }
}

impl Clone for OptimizationConfig {
    fn clone(&self) -> Self {
        Self {
            algorithm: self.algorithm.clone(),
            max_evaluations: self.max_evaluations,
            tolerance: self.tolerance,
            seed: self.seed,
            parallel: self.parallel,
            num_threads: self.num_threads,
            progress_callback: None, // Function pointers can't be cloned
            early_stopping: self.early_stopping.clone(),
        }
    }
}

/// Early stopping criteria
#[derive(Debug, Clone)]
pub struct EarlyStoppingCriteria {
    /// Patience (number of iterations without improvement)
    pub patience: usize,
    /// Minimum change to be considered an improvement
    pub min_delta: f64,
    /// Monitor best value or last value
    pub monitor_best: bool,
}

/// Optimization result
#[derive(Debug, Clone)]
pub struct OptimizationResult {
    /// Optimal parameters
    pub optimal_parameters: Vec<f64>,
    /// Optimal objective value
    pub optimal_value: f64,
    /// Number of function evaluations
    pub num_evaluations: usize,
    /// Convergence status
    pub converged: bool,
    /// Optimization history
    pub history: OptimizationHistory,
    /// Additional algorithm-specific information
    pub algorithm_info: HashMap<String, String>,
    /// Total optimization time
    pub optimization_time: std::time::Duration,
}

/// Optimization history tracking
#[derive(Debug, Clone)]
pub struct OptimizationHistory {
    /// Parameter values at each iteration
    pub parameters: Vec<Vec<f64>>,
    /// Objective values at each iteration
    pub objective_values: Vec<f64>,
    /// Gradient norms (if available)
    pub gradient_norms: Vec<f64>,
    /// Step sizes
    pub step_sizes: Vec<f64>,
    /// Timestamps
    pub timestamps: Vec<std::time::Instant>,
}

/// Quantum circuit parameter optimizer using `SciRS2`
pub struct QuantumCircuitOptimizer {
    /// Current circuit template
    circuit_template: CircuitTemplate,
    /// Optimization configuration
    config: OptimizationConfig,
    /// Parameter history
    history: Arc<Mutex<OptimizationHistory>>,
    /// Best parameters found so far
    best_parameters: Arc<Mutex<Option<Vec<f64>>>>,
    /// Best objective value
    best_value: Arc<Mutex<f64>>,
}

/// Parameterized circuit template
#[derive(Debug, Clone)]
pub struct CircuitTemplate {
    /// Circuit structure with parameter placeholders
    pub structure: Vec<ParameterizedGate>,
    /// Parameter names and bounds
    pub parameters: Vec<Parameter>,
    /// Number of qubits
    pub num_qubits: usize,
}

/// Parameterized gate in circuit template
#[derive(Debug, Clone)]
pub struct ParameterizedGate {
    /// Gate name
    pub gate_name: String,
    /// Qubits the gate acts on
    pub qubits: Vec<usize>,
    /// Parameter indices
    pub parameter_indices: Vec<usize>,
    /// Fixed parameters (if any)
    pub fixed_parameters: Vec<f64>,
}

/// Parameter definition
#[derive(Debug, Clone)]
pub struct Parameter {
    /// Parameter name
    pub name: String,
    /// Lower bound
    pub lower_bound: f64,
    /// Upper bound
    pub upper_bound: f64,
    /// Initial value
    pub initial_value: f64,
    /// Whether parameter is discrete
    pub discrete: bool,
}

impl QuantumCircuitOptimizer {
    /// Create a new quantum circuit optimizer
    #[must_use]
    pub fn new(template: CircuitTemplate, config: OptimizationConfig) -> Self {
        Self {
            circuit_template: template,
            config,
            history: Arc::new(Mutex::new(OptimizationHistory {
                parameters: Vec::new(),
                objective_values: Vec::new(),
                gradient_norms: Vec::new(),
                step_sizes: Vec::new(),
                timestamps: Vec::new(),
            })),
            best_parameters: Arc::new(Mutex::new(None)),
            best_value: Arc::new(Mutex::new(f64::INFINITY)),
        }
    }

    /// Optimize circuit parameters
    pub fn optimize(
        &mut self,
        objective: Arc<dyn ObjectiveFunction>,
    ) -> QuantRS2Result<OptimizationResult> {
        let start_time = std::time::Instant::now();

        // Get initial parameters
        let initial_params: Vec<f64> = self
            .circuit_template
            .parameters
            .iter()
            .map(|p| p.initial_value)
            .collect();

        // Validate parameter bounds
        let bounds = objective.bounds();
        if bounds.len() != initial_params.len() {
            return Err(QuantRS2Error::InvalidInput(
                "Parameter count mismatch with bounds".to_string(),
            ));
        }

        // Run optimization based on algorithm
        let result = match &self.config.algorithm {
            OptimizationAlgorithm::GradientDescent {
                learning_rate,
                momentum,
            } => self.optimize_gradient_descent(
                objective,
                &initial_params,
                *learning_rate,
                *momentum,
            ),
            OptimizationAlgorithm::Adam {
                learning_rate,
                beta1,
                beta2,
                epsilon,
            } => self.optimize_adam(
                objective,
                &initial_params,
                *learning_rate,
                *beta1,
                *beta2,
                *epsilon,
            ),
            OptimizationAlgorithm::LBFGSB {
                max_iterations,
                tolerance,
            } => self.optimize_lbfgs(objective, &initial_params, *max_iterations, *tolerance),
            OptimizationAlgorithm::NelderMead {
                max_iterations,
                tolerance,
            } => self.optimize_nelder_mead(objective, &initial_params, *max_iterations, *tolerance),
            OptimizationAlgorithm::SimulatedAnnealing {
                initial_temperature,
                cooling_rate,
                min_temperature,
            } => self.optimize_simulated_annealing(
                objective,
                &initial_params,
                *initial_temperature,
                *cooling_rate,
                *min_temperature,
            ),
            OptimizationAlgorithm::BayesianOptimization {
                acquisition_function,
                kernel,
                num_initial_samples,
            } => self.optimize_bayesian(
                objective,
                &initial_params,
                acquisition_function,
                kernel,
                *num_initial_samples,
            ),
            _ => Err(QuantRS2Error::InvalidInput(
                "Algorithm not yet implemented".to_string(),
            )),
        }?;

        let history = self
            .history
            .lock()
            .map_err(|e| QuantRS2Error::RuntimeError(format!("Failed to lock history: {}", e)))?
            .clone();

        Ok(OptimizationResult {
            optimal_parameters: result.0,
            optimal_value: result.1,
            num_evaluations: result.2,
            converged: result.3,
            history,
            algorithm_info: HashMap::new(),
            optimization_time: start_time.elapsed(),
        })
    }

    /// Gradient descent optimization
    fn optimize_gradient_descent(
        &self,
        objective: Arc<dyn ObjectiveFunction>,
        initial_params: &[f64],
        learning_rate: f64,
        momentum: f64,
    ) -> QuantRS2Result<(Vec<f64>, f64, usize, bool)> {
        let mut params = initial_params.to_vec();
        let mut velocity = vec![0.0; params.len()];
        let mut evaluations = 0;
        let mut best_value = f64::INFINITY;

        for iteration in 0..self.config.max_evaluations {
            // Evaluate objective
            let value = objective.evaluate(&params);
            evaluations += 1;

            // Update best
            if value < best_value {
                best_value = value;
                if let Ok(mut guard) = self.best_parameters.lock() {
                    *guard = Some(params.clone());
                }
                if let Ok(mut guard) = self.best_value.lock() {
                    *guard = best_value;
                }
            }

            // Record history
            self.record_iteration(&params, value, iteration);

            // Check convergence
            if iteration > 0 {
                let prev_value = self
                    .history
                    .lock()
                    .ok()
                    .and_then(|h| h.objective_values.get(iteration - 1).copied())
                    .unwrap_or(value);
                if (prev_value - value).abs() < self.config.tolerance {
                    return Ok((params, best_value, evaluations, true));
                }
            }

            // Compute gradient (numerical if not available)
            let gradient = if let Some(grad) = objective.gradient(&params) {
                grad
            } else {
                self.numerical_gradient(&*objective, &params)?
            };

            // Update parameters with momentum
            for i in 0..params.len() {
                velocity[i] = momentum.mul_add(velocity[i], -(learning_rate * gradient[i]));
                params[i] += velocity[i];

                // Apply bounds
                let bounds = objective.bounds();
                params[i] = params[i].max(bounds[i].0).min(bounds[i].1);
            }

            // Progress callback
            if let Some(callback) = &self.config.progress_callback {
                callback(iteration, value);
            }
        }

        Ok((params, best_value, evaluations, false))
    }

    /// Adam optimization algorithm
    fn optimize_adam(
        &self,
        objective: Arc<dyn ObjectiveFunction>,
        initial_params: &[f64],
        learning_rate: f64,
        beta1: f64,
        beta2: f64,
        epsilon: f64,
    ) -> QuantRS2Result<(Vec<f64>, f64, usize, bool)> {
        let mut params = initial_params.to_vec();
        let mut m = vec![0.0; params.len()]; // First moment
        let mut v = vec![0.0; params.len()]; // Second moment
        let mut evaluations = 0;
        let mut best_value = f64::INFINITY;

        for iteration in 0..self.config.max_evaluations {
            let t = iteration + 1;

            // Evaluate objective
            let value = objective.evaluate(&params);
            evaluations += 1;

            // Update best
            if value < best_value {
                best_value = value;
                if let Ok(mut guard) = self.best_parameters.lock() {
                    *guard = Some(params.clone());
                }
                if let Ok(mut guard) = self.best_value.lock() {
                    *guard = best_value;
                }
            }

            // Record history
            self.record_iteration(&params, value, iteration);

            // Check convergence
            if iteration > 0 {
                let prev_value = self
                    .history
                    .lock()
                    .ok()
                    .and_then(|h| h.objective_values.get(iteration - 1).copied())
                    .unwrap_or(value);
                if (prev_value - value).abs() < self.config.tolerance {
                    return Ok((params, best_value, evaluations, true));
                }
            }

            // Compute gradient
            let gradient = if let Some(grad) = objective.gradient(&params) {
                grad
            } else {
                self.numerical_gradient(&*objective, &params)?
            };

            // Update biased first and second moment estimates
            for i in 0..params.len() {
                m[i] = beta1.mul_add(m[i], (1.0 - beta1) * gradient[i]);
                v[i] = beta2.mul_add(v[i], (1.0 - beta2) * gradient[i] * gradient[i]);

                // Bias correction
                let m_hat = m[i] / (1.0 - beta1.powi(t as i32));
                let v_hat = v[i] / (1.0 - beta2.powi(t as i32));

                // Update parameters
                params[i] -= learning_rate * m_hat / (v_hat.sqrt() + epsilon);

                // Apply bounds
                let bounds = objective.bounds();
                params[i] = params[i].max(bounds[i].0).min(bounds[i].1);
            }

            // Progress callback
            if let Some(callback) = &self.config.progress_callback {
                callback(iteration, value);
            }
        }

        Ok((params, best_value, evaluations, false))
    }

    /// L-BFGS-B optimization (simplified implementation)
    fn optimize_lbfgs(
        &self,
        objective: Arc<dyn ObjectiveFunction>,
        initial_params: &[f64],
        max_iterations: usize,
        tolerance: f64,
    ) -> QuantRS2Result<(Vec<f64>, f64, usize, bool)> {
        // This is a simplified placeholder for L-BFGS-B
        // In practice, this would use SciRS2's optimized implementation
        self.optimize_gradient_descent(objective, initial_params, 0.01, 0.9)
    }

    /// Nelder-Mead simplex optimization
    fn optimize_nelder_mead(
        &self,
        objective: Arc<dyn ObjectiveFunction>,
        initial_params: &[f64],
        max_iterations: usize,
        tolerance: f64,
    ) -> QuantRS2Result<(Vec<f64>, f64, usize, bool)> {
        let n = initial_params.len();
        let mut simplex = Vec::new();
        let mut evaluations = 0;

        // Initialize simplex
        simplex.push(initial_params.to_vec());
        for i in 0..n {
            let mut vertex = initial_params.to_vec();
            vertex[i] += if vertex[i] == 0.0 {
                0.00025
            } else {
                vertex[i] * 0.05
            };
            simplex.push(vertex);
        }

        // Evaluate initial simplex
        let mut values: Vec<f64> = simplex
            .iter()
            .map(|params| {
                evaluations += 1;
                objective.evaluate(params)
            })
            .collect();

        for iteration in 0..max_iterations {
            // Sort simplex by objective values
            let mut indices: Vec<usize> = (0..simplex.len()).collect();
            indices.sort_by(|&i, &j| {
                values[i]
                    .partial_cmp(&values[j])
                    .unwrap_or(std::cmp::Ordering::Equal)
            });

            let best_value = values[indices[0]];
            let worst_idx = indices[n];
            let second_worst_idx = indices[n - 1];

            // Record best iteration
            self.record_iteration(&simplex[indices[0]], best_value, iteration);

            // Check convergence
            let range = values[worst_idx] - values[indices[0]];
            if range < tolerance {
                return Ok((simplex[indices[0]].clone(), best_value, evaluations, true));
            }

            // Compute centroid (excluding worst point)
            let mut centroid = vec![0.0; n];
            for i in 0..n {
                for j in 0..n {
                    centroid[j] += simplex[indices[i]][j];
                }
            }
            for j in 0..n {
                centroid[j] /= n as f64;
            }

            // Reflection
            let alpha = 1.0;
            let mut reflected = vec![0.0; n];
            for j in 0..n {
                reflected[j] = centroid[j] + alpha * (centroid[j] - simplex[worst_idx][j]);
            }

            // Apply bounds
            let bounds = objective.bounds();
            for j in 0..n {
                reflected[j] = reflected[j].max(bounds[j].0).min(bounds[j].1);
            }

            let reflected_value = objective.evaluate(&reflected);
            evaluations += 1;

            if values[indices[0]] <= reflected_value && reflected_value < values[second_worst_idx] {
                // Accept reflection
                simplex[worst_idx] = reflected;
                values[worst_idx] = reflected_value;
            } else if reflected_value < values[indices[0]] {
                // Expansion
                let gamma = 2.0;
                let mut expanded = vec![0.0; n];
                for j in 0..n {
                    expanded[j] = centroid[j] + gamma * (reflected[j] - centroid[j]);
                    expanded[j] = expanded[j].max(bounds[j].0).min(bounds[j].1);
                }

                let expanded_value = objective.evaluate(&expanded);
                evaluations += 1;

                if expanded_value < reflected_value {
                    simplex[worst_idx] = expanded;
                    values[worst_idx] = expanded_value;
                } else {
                    simplex[worst_idx] = reflected;
                    values[worst_idx] = reflected_value;
                }
            } else {
                // Contraction
                let rho = 0.5;
                let mut contracted = vec![0.0; n];
                for j in 0..n {
                    contracted[j] = centroid[j] + rho * (simplex[worst_idx][j] - centroid[j]);
                    contracted[j] = contracted[j].max(bounds[j].0).min(bounds[j].1);
                }

                let contracted_value = objective.evaluate(&contracted);
                evaluations += 1;

                if contracted_value < values[worst_idx] {
                    simplex[worst_idx] = contracted;
                    values[worst_idx] = contracted_value;
                } else {
                    // Shrink
                    let sigma = 0.5;
                    for i in 1..=n {
                        for j in 0..n {
                            simplex[i][j] = simplex[indices[0]][j]
                                + sigma * (simplex[i][j] - simplex[indices[0]][j]);
                            simplex[i][j] = simplex[i][j].max(bounds[j].0).min(bounds[j].1);
                        }
                        values[i] = objective.evaluate(&simplex[i]);
                        evaluations += 1;
                    }
                }
            }

            // Progress callback
            if let Some(callback) = &self.config.progress_callback {
                callback(iteration, best_value);
            }
        }

        // Find best point
        let mut best_idx = 0;
        let mut best_value = values[0];
        for i in 1..values.len() {
            if values[i] < best_value {
                best_value = values[i];
                best_idx = i;
            }
        }

        Ok((simplex[best_idx].clone(), best_value, evaluations, false))
    }

    /// Simulated annealing optimization
    fn optimize_simulated_annealing(
        &self,
        objective: Arc<dyn ObjectiveFunction>,
        initial_params: &[f64],
        initial_temperature: f64,
        cooling_rate: f64,
        min_temperature: f64,
    ) -> QuantRS2Result<(Vec<f64>, f64, usize, bool)> {
        use scirs2_core::random::prelude::*;
        let mut rng = thread_rng();

        let mut current_params = initial_params.to_vec();
        let mut current_value = objective.evaluate(&current_params);
        let mut best_params = current_params.clone();
        let mut best_value = current_value;
        let mut temperature = initial_temperature;
        let mut evaluations = 1;

        let bounds = objective.bounds();

        for iteration in 0..self.config.max_evaluations {
            if temperature < min_temperature {
                break;
            }

            // Generate neighbor solution
            let mut neighbor_params = current_params.clone();
            for i in 0..neighbor_params.len() {
                let range = bounds[i].1 - bounds[i].0;
                let step = rng.random_range(-0.1..0.1) * range * temperature / initial_temperature;
                neighbor_params[i] = (neighbor_params[i] + step)
                    .max(bounds[i].0)
                    .min(bounds[i].1);
            }

            let neighbor_value = objective.evaluate(&neighbor_params);
            evaluations += 1;

            // Accept or reject based on Metropolis criterion
            let delta = neighbor_value - current_value;
            if delta < 0.0 || rng.random::<f64>() < (-delta / temperature).exp() {
                current_params = neighbor_params;
                current_value = neighbor_value;

                if current_value < best_value {
                    best_params.clone_from(&current_params);
                    best_value = current_value;
                }
            }

            // Record iteration
            self.record_iteration(&current_params, current_value, iteration);

            // Cool down
            temperature *= cooling_rate;

            // Progress callback
            if let Some(callback) = &self.config.progress_callback {
                callback(iteration, best_value);
            }
        }

        Ok((
            best_params,
            best_value,
            evaluations,
            temperature < min_temperature,
        ))
    }

    /// Bayesian optimization (simplified implementation)
    fn optimize_bayesian(
        &self,
        objective: Arc<dyn ObjectiveFunction>,
        initial_params: &[f64],
        acquisition_function: &AcquisitionFunction,
        kernel: &KernelType,
        num_initial_samples: usize,
    ) -> QuantRS2Result<(Vec<f64>, f64, usize, bool)> {
        // This is a simplified placeholder for Bayesian optimization
        // Real implementation would use SciRS2's Gaussian process implementation
        self.optimize_nelder_mead(
            objective,
            initial_params,
            self.config.max_evaluations,
            self.config.tolerance,
        )
    }

    /// Compute numerical gradient
    fn numerical_gradient(
        &self,
        objective: &dyn ObjectiveFunction,
        params: &[f64],
    ) -> QuantRS2Result<Vec<f64>> {
        let epsilon = 1e-8;
        let mut gradient = vec![0.0; params.len()];

        for i in 0..params.len() {
            let mut params_plus = params.to_vec();
            let mut params_minus = params.to_vec();

            params_plus[i] += epsilon;
            params_minus[i] -= epsilon;

            let f_plus = objective.evaluate(&params_plus);
            let f_minus = objective.evaluate(&params_minus);

            gradient[i] = (f_plus - f_minus) / (2.0 * epsilon);
        }

        Ok(gradient)
    }

    /// Record optimization iteration
    fn record_iteration(&self, params: &[f64], value: f64, iteration: usize) {
        if let Ok(mut history) = self.history.lock() {
            history.parameters.push(params.to_vec());
            history.objective_values.push(value);
            history.gradient_norms.push(0.0); // Placeholder
            history.step_sizes.push(0.0); // Placeholder
            history.timestamps.push(std::time::Instant::now());
        }
    }

    /// Get current best parameters
    #[must_use]
    pub fn get_best_parameters(&self) -> Option<Vec<f64>> {
        self.best_parameters.lock().ok().and_then(|g| g.clone())
    }

    /// Get current best value
    #[must_use]
    pub fn get_best_value(&self) -> f64 {
        self.best_value.lock().ok().map_or(f64::INFINITY, |g| *g)
    }

    /// Build circuit from parameters
    pub fn build_circuit(&self, parameters: &[f64]) -> QuantRS2Result<Circuit<32>> {
        if parameters.len() != self.circuit_template.parameters.len() {
            return Err(QuantRS2Error::InvalidInput(
                "Parameter count mismatch".to_string(),
            ));
        }

        // This is a simplified circuit building - would need actual gate implementations
        let mut circuit = Circuit::<32>::new();

        // Build circuit from template using parameters
        for gate_template in &self.circuit_template.structure {
            // Apply parameters to gate and add to circuit
            // This would use the actual gate implementations from quantrs2_core
        }

        Ok(circuit)
    }
}

/// Variational quantum eigensolver (VQE) objective
pub struct VQEObjective {
    /// Hamiltonian matrix
    hamiltonian: SparseMatrix,
    /// Circuit template
    circuit_template: CircuitTemplate,
    /// Parameter bounds
    bounds: Vec<(f64, f64)>,
}

impl VQEObjective {
    /// Create new VQE objective
    #[must_use]
    pub fn new(hamiltonian: SparseMatrix, circuit_template: CircuitTemplate) -> Self {
        let bounds = circuit_template
            .parameters
            .iter()
            .map(|p| (p.lower_bound, p.upper_bound))
            .collect();

        Self {
            hamiltonian,
            circuit_template,
            bounds,
        }
    }
}

impl ObjectiveFunction for VQEObjective {
    fn evaluate(&self, parameters: &[f64]) -> f64 {
        // Build quantum circuit from parameters
        // Simulate circuit to get state vector
        // Compute expectation value ⟨ψ|H|ψ⟩

        // This is a placeholder - real implementation would:
        // 1. Build circuit from template and parameters
        // 2. Simulate circuit to get final state
        // 3. Compute expectation value with Hamiltonian

        // For now, return a simple quadratic function for testing
        parameters.iter().map(|x| x * x).sum::<f64>()
    }

    fn bounds(&self) -> Vec<(f64, f64)> {
        self.bounds.clone()
    }

    fn name(&self) -> &'static str {
        "VQE"
    }
}

/// Quantum Approximate Optimization Algorithm (QAOA) objective
pub struct QAOAObjective {
    /// Problem Hamiltonian
    problem_hamiltonian: SparseMatrix,
    /// Mixer Hamiltonian
    mixer_hamiltonian: SparseMatrix,
    /// Number of QAOA layers
    num_layers: usize,
    /// Parameter bounds
    bounds: Vec<(f64, f64)>,
}

impl QAOAObjective {
    /// Create new QAOA objective
    #[must_use]
    pub fn new(
        problem_hamiltonian: SparseMatrix,
        mixer_hamiltonian: SparseMatrix,
        num_layers: usize,
    ) -> Self {
        // Beta and gamma parameters for each layer
        let bounds = vec![(0.0, 2.0 * std::f64::consts::PI); 2 * num_layers];

        Self {
            problem_hamiltonian,
            mixer_hamiltonian,
            num_layers,
            bounds,
        }
    }
}

impl ObjectiveFunction for QAOAObjective {
    fn evaluate(&self, parameters: &[f64]) -> f64 {
        // Build QAOA circuit from beta and gamma parameters
        // Simulate circuit starting from |+⟩^n state
        // Compute expectation value with problem Hamiltonian

        // Placeholder implementation
        parameters.iter().map(|x| x.sin().powi(2)).sum::<f64>()
    }

    fn bounds(&self) -> Vec<(f64, f64)> {
        self.bounds.clone()
    }

    fn name(&self) -> &'static str {
        "QAOA"
    }
}

impl Default for OptimizationConfig {
    fn default() -> Self {
        Self {
            algorithm: OptimizationAlgorithm::Adam {
                learning_rate: 0.01,
                beta1: 0.9,
                beta2: 0.999,
                epsilon: 1e-8,
            },
            max_evaluations: 1000,
            tolerance: 1e-6,
            seed: None,
            parallel: false,
            num_threads: None,
            progress_callback: None,
            early_stopping: None,
        }
    }
}

#[cfg(test)]
mod tests {
    use super::*;

    #[test]
    fn test_optimization_config_creation() {
        let config = OptimizationConfig::default();
        assert_eq!(config.max_evaluations, 1000);
        assert_eq!(config.tolerance, 1e-6);
    }

    #[test]
    fn test_vqe_objective() {
        let hamiltonian = SparseMatrix::identity(4);
        let template = CircuitTemplate {
            structure: Vec::new(),
            parameters: vec![Parameter {
                name: "theta".to_string(),
                lower_bound: 0.0,
                upper_bound: 2.0 * std::f64::consts::PI,
                initial_value: 0.5,
                discrete: false,
            }],
            num_qubits: 2,
        };

        let objective = VQEObjective::new(hamiltonian, template);
        let value = objective.evaluate(&[0.5]);
        assert!(value >= 0.0);
    }

    #[test]
    fn test_qaoa_objective() {
        let problem_h = SparseMatrix::identity(4);
        let mixer_h = SparseMatrix::identity(4);

        let objective = QAOAObjective::new(problem_h, mixer_h, 2);
        assert_eq!(objective.bounds().len(), 4); // 2 parameters per layer

        let value = objective.evaluate(&[0.5, 1.0, 1.5, 2.0]);
        assert!(value >= 0.0);
    }

    #[test]
    fn test_circuit_template() {
        let template = CircuitTemplate {
            structure: vec![ParameterizedGate {
                gate_name: "RY".to_string(),
                qubits: vec![0],
                parameter_indices: vec![0],
                fixed_parameters: Vec::new(),
            }],
            parameters: vec![Parameter {
                name: "theta".to_string(),
                lower_bound: 0.0,
                upper_bound: 2.0 * std::f64::consts::PI,
                initial_value: 0.0,
                discrete: false,
            }],
            num_qubits: 1,
        };

        assert_eq!(template.parameters.len(), 1);
        assert_eq!(template.structure.len(), 1);
    }

    struct TestObjective;

    impl ObjectiveFunction for TestObjective {
        fn evaluate(&self, parameters: &[f64]) -> f64 {
            parameters.iter().map(|x| (x - 1.0).powi(2)).sum()
        }

        fn bounds(&self) -> Vec<(f64, f64)> {
            vec![(-5.0, 5.0); 2]
        }

        fn name(&self) -> &'static str {
            "test"
        }
    }

    #[test]
    fn test_optimizer_creation() {
        let template = CircuitTemplate {
            structure: Vec::new(),
            parameters: vec![
                Parameter {
                    name: "x1".to_string(),
                    lower_bound: -5.0,
                    upper_bound: 5.0,
                    initial_value: 0.0,
                    discrete: false,
                },
                Parameter {
                    name: "x2".to_string(),
                    lower_bound: -5.0,
                    upper_bound: 5.0,
                    initial_value: 0.0,
                    discrete: false,
                },
            ],
            num_qubits: 1,
        };

        let config = OptimizationConfig::default();
        let optimizer = QuantumCircuitOptimizer::new(template, config);

        assert_eq!(optimizer.circuit_template.parameters.len(), 2);
    }
}