quantrs2-ml 0.1.3

Quantum Machine Learning module for QuantRS2
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
1098
1099
1100
1101
1102
1103
1104
1105
1106
1107
1108
1109
1110
1111
1112
1113
1114
1115
1116
1117
1118
1119
1120
1121
1122
1123
1124
1125
1126
1127
1128
1129
1130
1131
1132
1133
1134
1135
1136
1137
1138
1139
1140
1141
1142
1143
1144
1145
1146
1147
1148
1149
1150
1151
1152
1153
1154
1155
1156
1157
1158
1159
1160
1161
1162
1163
1164
1165
1166
1167
1168
1169
1170
1171
1172
1173
1174
1175
1176
1177
1178
1179
1180
1181
1182
1183
1184
1185
1186
1187
1188
1189
1190
1191
1192
1193
1194
1195
1196
1197
1198
1199
1200
1201
1202
1203
1204
1205
1206
1207
1208
1209
1210
1211
1212
1213
1214
1215
1216
1217
1218
1219
1220
1221
1222
1223
1224
1225
1226
1227
1228
1229
1230
1231
1232
1233
1234
1235
1236
1237
//! # Quantum-Classical Hybrid AutoML Decision Engine
//!
//! An advanced system that intelligently determines when quantum algorithms provide
//! advantages over classical approaches and automatically configures optimal solutions.
//!
//! ## Key Features
//!
//! - **Problem Analysis**: Extracts characteristics from datasets and problem definitions
//! - **Algorithm Selection**: Chooses optimal quantum or classical algorithms
//! - **Performance Prediction**: Estimates accuracy, latency, and resource usage
//! - **Cost Optimization**: Balances quantum hardware costs with performance gains
//! - **Calibration Integration**: Automatically applies probability calibration
//! - **Production Configuration**: Generates deployment-ready configurations
//!
//! ## Example
//!
//! ```rust,ignore
//! use quantrs2_ml::hybrid_automl_engine::{
//!     HybridAutoMLEngine, ProblemCharacteristics, ResourceConstraints
//! };
//! use scirs2_core::ndarray::{Array1, Array2};
//!
//! // Example dataset
//! let X = Array2::<f64>::zeros((100, 10)); // 100 samples, 10 features
//! let y = Array1::<usize>::zeros(100);      // 100 labels (class indices)
//!
//! let engine = HybridAutoMLEngine::new();
//! let problem = ProblemCharacteristics::from_dataset(&X, &y);
//! let constraints = ResourceConstraints::default(); // Define resource constraints
//! let recommendation = engine.analyze_and_recommend(&problem, &constraints)?;
//!
//! println!("Recommended: {:?}", recommendation.algorithm_choice);
//! println!("Expected speedup: {:.2}x", recommendation.quantum_advantage.speedup);
//! # Ok::<(), quantrs2_ml::error::MLError>(())
//! ```

use crate::error::{MLError, Result};
use scirs2_core::ndarray::{Array1, Array2};
use scirs2_core::random::{thread_rng, Rng};
use std::collections::HashMap;

/// Problem characteristics extracted from dataset and task definition
#[derive(Debug, Clone)]
pub struct ProblemCharacteristics {
    /// Number of samples in the dataset
    pub n_samples: usize,

    /// Number of features per sample
    pub n_features: usize,

    /// Number of classes (for classification) or 1 (for regression)
    pub n_classes: usize,

    /// Dimensionality ratio (features/samples)
    pub dimensionality_ratio: f64,

    /// Data sparsity (fraction of zero elements)
    pub sparsity: f64,

    /// Feature correlation matrix condition number
    pub condition_number: f64,

    /// Class imbalance ratio (max_class_count / min_class_count)
    pub class_imbalance: f64,

    /// Task type
    pub task_type: TaskType,

    /// Problem domain
    pub domain: ProblemDomain,
}

/// Type of machine learning task
#[derive(Debug, Clone, Copy, PartialEq)]
pub enum TaskType {
    BinaryClassification,
    MultiClassClassification,
    Regression,
    Clustering,
    DimensionalityReduction,
}

/// Problem domain for specialized optimizations
#[derive(Debug, Clone, Copy, PartialEq)]
pub enum ProblemDomain {
    General,
    DrugDiscovery,
    Finance,
    ComputerVision,
    NaturalLanguage,
    TimeSeriesForecasting,
    AnomalyDetection,
    RecommenderSystem,
}

/// Available computational resources
#[derive(Debug, Clone)]
pub struct ResourceConstraints {
    /// Available quantum devices
    pub quantum_devices: Vec<QuantumDevice>,

    /// Available classical compute
    pub classical_compute: ClassicalCompute,

    /// Maximum latency requirement (milliseconds)
    pub max_latency_ms: Option<f64>,

    /// Maximum cost per inference (USD)
    pub max_cost_per_inference: Option<f64>,

    /// Maximum training time (seconds)
    pub max_training_time: Option<f64>,

    /// Power consumption limit (watts)
    pub max_power_consumption: Option<f64>,
}

/// Quantum device specification
#[derive(Debug, Clone)]
pub struct QuantumDevice {
    pub name: String,
    pub n_qubits: usize,
    pub gate_error_rate: f64,
    pub measurement_error_rate: f64,
    pub decoherence_time_us: f64,
    pub cost_per_shot: f64,
    pub availability: DeviceAvailability,
}

/// Device availability status
#[derive(Debug, Clone, Copy, PartialEq)]
pub enum DeviceAvailability {
    Available,
    Queued,
    Unavailable,
}

/// Classical compute resources
#[derive(Debug, Clone)]
pub struct ClassicalCompute {
    pub n_cpu_cores: usize,
    pub has_gpu: bool,
    pub gpu_memory_gb: f64,
    pub ram_gb: f64,
}

/// Algorithm recommendation
#[derive(Debug, Clone)]
pub struct AlgorithmRecommendation {
    /// Recommended algorithm choice
    pub algorithm_choice: AlgorithmChoice,

    /// Predicted quantum advantage
    pub quantum_advantage: QuantumAdvantageMetrics,

    /// Recommended hyperparameters
    pub hyperparameters: HashMap<String, f64>,

    /// Expected performance metrics
    pub expected_performance: PerformanceEstimate,

    /// Cost analysis
    pub cost_analysis: CostAnalysis,

    /// Confidence in recommendation (0-1)
    pub confidence: f64,

    /// Calibration recommendation
    pub calibration_method: Option<String>,

    /// Production configuration
    pub production_config: ProductionConfig,
}

/// Algorithm choice (quantum, classical, or hybrid)
#[derive(Debug, Clone, PartialEq)]
pub enum AlgorithmChoice {
    /// Use quantum algorithm exclusively
    QuantumOnly { algorithm: String, device: String },

    /// Use classical algorithm exclusively
    ClassicalOnly { algorithm: String, backend: String },

    /// Use hybrid quantum-classical approach
    Hybrid {
        quantum_component: String,
        classical_component: String,
        splitting_strategy: String,
    },
}

/// Quantum advantage metrics
#[derive(Debug, Clone)]
pub struct QuantumAdvantageMetrics {
    /// Expected speedup factor
    pub speedup: f64,

    /// Accuracy improvement (percentage points)
    pub accuracy_improvement: f64,

    /// Sample efficiency improvement
    pub sample_efficiency: f64,

    /// Generalization improvement
    pub generalization_improvement: f64,

    /// Statistical significance (p-value)
    pub statistical_significance: f64,
}

/// Performance estimate
#[derive(Debug, Clone)]
pub struct PerformanceEstimate {
    /// Expected accuracy (0-1)
    pub accuracy: f64,

    /// Accuracy confidence interval (95%)
    pub accuracy_ci: (f64, f64),

    /// Expected training time (seconds)
    pub training_time_s: f64,

    /// Expected inference latency (milliseconds)
    pub inference_latency_ms: f64,

    /// Memory footprint (MB)
    pub memory_mb: f64,
}

/// Cost analysis
#[derive(Debug, Clone)]
pub struct CostAnalysis {
    /// Training cost (USD)
    pub training_cost: f64,

    /// Inference cost per sample (USD)
    pub inference_cost_per_sample: f64,

    /// Total cost for expected workload (USD)
    pub total_cost: f64,

    /// Cost breakdown
    pub breakdown: HashMap<String, f64>,
}

/// Production deployment configuration
#[derive(Debug, Clone)]
pub struct ProductionConfig {
    /// Recommended batch size
    pub batch_size: usize,

    /// Number of parallel workers
    pub n_workers: usize,

    /// Enable caching
    pub enable_caching: bool,

    /// Monitoring configuration
    pub monitoring: MonitoringConfig,

    /// Scaling configuration
    pub scaling: ScalingConfig,
}

/// Monitoring configuration
#[derive(Debug, Clone)]
pub struct MonitoringConfig {
    /// Log every N inferences
    pub log_interval: usize,

    /// Alert thresholds
    pub alert_thresholds: HashMap<String, f64>,

    /// Metrics to track
    pub tracked_metrics: Vec<String>,
}

/// Scaling configuration
#[derive(Debug, Clone)]
pub struct ScalingConfig {
    /// Auto-scaling enabled
    pub auto_scaling: bool,

    /// Minimum instances
    pub min_instances: usize,

    /// Maximum instances
    pub max_instances: usize,

    /// Scale up threshold (CPU %)
    pub scale_up_threshold: f64,

    /// Scale down threshold (CPU %)
    pub scale_down_threshold: f64,
}

/// Quantum-Classical Hybrid AutoML Decision Engine
pub struct HybridAutoMLEngine {
    /// Performance prediction models
    performance_models: HashMap<String, PerformanceModel>,

    /// Cost models
    cost_models: HashMap<String, CostModel>,

    /// Decision thresholds
    decision_thresholds: DecisionThresholds,
}

/// Performance prediction model
struct PerformanceModel {
    /// Model type
    model_type: String,

    /// Coefficients for prediction
    coefficients: Vec<f64>,
}

/// Cost prediction model
struct CostModel {
    /// Base cost
    base_cost: f64,

    /// Cost per sample
    cost_per_sample: f64,

    /// Cost per feature
    cost_per_feature: f64,

    /// Cost per qubit
    cost_per_qubit: f64,
}

/// Decision thresholds for algorithm selection
struct DecisionThresholds {
    /// Minimum speedup to justify quantum (default: 1.5x)
    min_quantum_speedup: f64,

    /// Minimum accuracy improvement (percentage points)
    min_accuracy_improvement: f64,

    /// Maximum acceptable cost ratio
    max_cost_ratio: f64,

    /// Minimum confidence for quantum recommendation
    min_confidence: f64,
}

impl HybridAutoMLEngine {
    /// Create a new Hybrid AutoML Engine with default models
    pub fn new() -> Self {
        Self {
            performance_models: Self::initialize_performance_models(),
            cost_models: Self::initialize_cost_models(),
            decision_thresholds: DecisionThresholds::default(),
        }
    }

    /// Analyze problem and recommend optimal approach
    pub fn analyze_and_recommend(
        &self,
        characteristics: &ProblemCharacteristics,
        constraints: &ResourceConstraints,
    ) -> Result<AlgorithmRecommendation> {
        // Extract features for decision making
        let features = self.extract_decision_features(characteristics);

        // Evaluate quantum algorithms
        let quantum_options = self.evaluate_quantum_algorithms(characteristics, constraints)?;

        // Evaluate classical algorithms
        let classical_options = self.evaluate_classical_algorithms(characteristics, constraints)?;

        // Compare and select best option
        let best_option = self.select_best_option(
            &quantum_options,
            &classical_options,
            characteristics,
            constraints,
        )?;

        // Generate comprehensive recommendation
        let recommendation =
            self.generate_recommendation(best_option, characteristics, constraints)?;

        Ok(recommendation)
    }

    /// Extract features for decision making
    fn extract_decision_features(&self, chars: &ProblemCharacteristics) -> Vec<f64> {
        vec![
            chars.n_samples as f64,
            chars.n_features as f64,
            chars.n_classes as f64,
            chars.dimensionality_ratio,
            chars.sparsity,
            chars.condition_number,
            chars.class_imbalance,
            (chars.n_features as f64).log2(), // Log features for quantum circuit depth
        ]
    }

    /// Evaluate quantum algorithm options
    fn evaluate_quantum_algorithms(
        &self,
        chars: &ProblemCharacteristics,
        constraints: &ResourceConstraints,
    ) -> Result<Vec<AlgorithmOption>> {
        let mut options = Vec::new();

        // Check if quantum devices are available
        if constraints.quantum_devices.is_empty() {
            return Ok(options);
        }

        // Quantum SVM (QSVM)
        if matches!(
            chars.task_type,
            TaskType::BinaryClassification | TaskType::MultiClassClassification
        ) {
            let qsvm_option = self.evaluate_qsvm(chars, constraints)?;
            if qsvm_option.is_feasible {
                options.push(qsvm_option);
            }
        }

        // Quantum Neural Network (QNN)
        let qnn_option = self.evaluate_qnn(chars, constraints)?;
        if qnn_option.is_feasible {
            options.push(qnn_option);
        }

        // Variational Quantum Eigensolver (VQE) for specific problems
        if chars.domain == ProblemDomain::DrugDiscovery {
            let vqe_option = self.evaluate_vqe(chars, constraints)?;
            if vqe_option.is_feasible {
                options.push(vqe_option);
            }
        }

        // Quantum Approximate Optimization Algorithm (QAOA)
        if matches!(chars.task_type, TaskType::Clustering) {
            let qaoa_option = self.evaluate_qaoa(chars, constraints)?;
            if qaoa_option.is_feasible {
                options.push(qaoa_option);
            }
        }

        Ok(options)
    }

    /// Evaluate classical algorithm options
    fn evaluate_classical_algorithms(
        &self,
        chars: &ProblemCharacteristics,
        constraints: &ResourceConstraints,
    ) -> Result<Vec<AlgorithmOption>> {
        let mut options = Vec::new();

        // Classical SVM
        if matches!(
            chars.task_type,
            TaskType::BinaryClassification | TaskType::MultiClassClassification
        ) {
            options.push(self.evaluate_classical_svm(chars, constraints)?);
        }

        // Neural Network
        options.push(self.evaluate_classical_nn(chars, constraints)?);

        // Random Forest
        options.push(self.evaluate_random_forest(chars, constraints)?);

        // Gradient Boosting
        options.push(self.evaluate_gradient_boosting(chars, constraints)?);

        Ok(options)
    }

    /// Evaluate QSVM option
    fn evaluate_qsvm(
        &self,
        chars: &ProblemCharacteristics,
        constraints: &ResourceConstraints,
    ) -> Result<AlgorithmOption> {
        let device = &constraints.quantum_devices[0];

        // Check if problem fits on device
        let required_qubits = (chars.n_features as f64).log2().ceil() as usize;
        let is_feasible = required_qubits <= device.n_qubits;

        // Estimate performance
        let accuracy = self.estimate_qsvm_accuracy(chars, device)?;
        let training_time = self.estimate_qsvm_training_time(chars, device)?;
        let cost = self.estimate_qsvm_cost(chars, device)?;

        Ok(AlgorithmOption {
            name: "QSVM".to_string(),
            algorithm_type: AlgorithmType::Quantum,
            is_feasible,
            expected_accuracy: accuracy,
            expected_training_time_s: training_time,
            expected_inference_latency_ms: 10.0, // Kernel evaluation time
            expected_cost: cost,
            required_qubits: Some(required_qubits),
            confidence: 0.85,
        })
    }

    /// Evaluate QNN option
    fn evaluate_qnn(
        &self,
        chars: &ProblemCharacteristics,
        constraints: &ResourceConstraints,
    ) -> Result<AlgorithmOption> {
        let device = &constraints.quantum_devices[0];

        let required_qubits = chars.n_features.min(20); // Limit to 20 qubits
        let is_feasible = required_qubits <= device.n_qubits;

        let accuracy = self.estimate_qnn_accuracy(chars, device)?;
        let training_time = self.estimate_qnn_training_time(chars, device)?;
        let cost = self.estimate_qnn_cost(chars, device)?;

        Ok(AlgorithmOption {
            name: "QNN".to_string(),
            algorithm_type: AlgorithmType::Quantum,
            is_feasible,
            expected_accuracy: accuracy,
            expected_training_time_s: training_time,
            expected_inference_latency_ms: 5.0,
            expected_cost: cost,
            required_qubits: Some(required_qubits),
            confidence: 0.80,
        })
    }

    /// Evaluate VQE option
    fn evaluate_vqe(
        &self,
        chars: &ProblemCharacteristics,
        constraints: &ResourceConstraints,
    ) -> Result<AlgorithmOption> {
        let device = &constraints.quantum_devices[0];

        let required_qubits = 10.min(device.n_qubits);
        let is_feasible = true;

        Ok(AlgorithmOption {
            name: "VQE".to_string(),
            algorithm_type: AlgorithmType::Quantum,
            is_feasible,
            expected_accuracy: 0.92,
            expected_training_time_s: 300.0,
            expected_inference_latency_ms: 50.0,
            expected_cost: 100.0,
            required_qubits: Some(required_qubits),
            confidence: 0.75,
        })
    }

    /// Evaluate QAOA option
    fn evaluate_qaoa(
        &self,
        chars: &ProblemCharacteristics,
        constraints: &ResourceConstraints,
    ) -> Result<AlgorithmOption> {
        let device = &constraints.quantum_devices[0];

        let required_qubits = chars.n_samples.min(20);
        let is_feasible = required_qubits <= device.n_qubits;

        Ok(AlgorithmOption {
            name: "QAOA".to_string(),
            algorithm_type: AlgorithmType::Quantum,
            is_feasible,
            expected_accuracy: 0.88,
            expected_training_time_s: 200.0,
            expected_inference_latency_ms: 30.0,
            expected_cost: 80.0,
            required_qubits: Some(required_qubits),
            confidence: 0.78,
        })
    }

    /// Evaluate classical SVM
    fn evaluate_classical_svm(
        &self,
        chars: &ProblemCharacteristics,
        _constraints: &ResourceConstraints,
    ) -> Result<AlgorithmOption> {
        let accuracy = 0.85 - (chars.dimensionality_ratio * 0.05).min(0.15);
        let training_time = chars.n_samples as f64 * chars.n_features as f64 / 1000.0;

        Ok(AlgorithmOption {
            name: "Classical SVM".to_string(),
            algorithm_type: AlgorithmType::Classical,
            is_feasible: true,
            expected_accuracy: accuracy,
            expected_training_time_s: training_time,
            expected_inference_latency_ms: 0.1,
            expected_cost: 0.0001,
            required_qubits: None,
            confidence: 0.95,
        })
    }

    /// Evaluate classical neural network
    fn evaluate_classical_nn(
        &self,
        chars: &ProblemCharacteristics,
        constraints: &ResourceConstraints,
    ) -> Result<AlgorithmOption> {
        let base_accuracy = 0.88;
        let accuracy = base_accuracy - (chars.class_imbalance.log2() * 0.02).min(0.1);

        let training_time = if constraints.classical_compute.has_gpu {
            chars.n_samples as f64 / 100.0
        } else {
            chars.n_samples as f64 / 10.0
        };

        Ok(AlgorithmOption {
            name: "Neural Network".to_string(),
            algorithm_type: AlgorithmType::Classical,
            is_feasible: true,
            expected_accuracy: accuracy,
            expected_training_time_s: training_time,
            expected_inference_latency_ms: 0.5,
            expected_cost: 0.0001,
            required_qubits: None,
            confidence: 0.90,
        })
    }

    /// Evaluate random forest
    fn evaluate_random_forest(
        &self,
        chars: &ProblemCharacteristics,
        _constraints: &ResourceConstraints,
    ) -> Result<AlgorithmOption> {
        let accuracy = 0.86;
        let training_time = chars.n_samples as f64 * chars.n_features as f64 / 500.0;

        Ok(AlgorithmOption {
            name: "Random Forest".to_string(),
            algorithm_type: AlgorithmType::Classical,
            is_feasible: true,
            expected_accuracy: accuracy,
            expected_training_time_s: training_time,
            expected_inference_latency_ms: 0.2,
            expected_cost: 0.00005,
            required_qubits: None,
            confidence: 0.92,
        })
    }

    /// Evaluate gradient boosting
    fn evaluate_gradient_boosting(
        &self,
        chars: &ProblemCharacteristics,
        _constraints: &ResourceConstraints,
    ) -> Result<AlgorithmOption> {
        let accuracy = 0.89;
        let training_time = chars.n_samples as f64 * chars.n_features as f64 / 300.0;

        Ok(AlgorithmOption {
            name: "Gradient Boosting".to_string(),
            algorithm_type: AlgorithmType::Classical,
            is_feasible: true,
            expected_accuracy: accuracy,
            expected_training_time_s: training_time,
            expected_inference_latency_ms: 0.3,
            expected_cost: 0.0001,
            required_qubits: None,
            confidence: 0.93,
        })
    }

    /// Estimate QSVM accuracy
    fn estimate_qsvm_accuracy(
        &self,
        chars: &ProblemCharacteristics,
        device: &QuantumDevice,
    ) -> Result<f64> {
        // Base accuracy for QSVM
        let base_accuracy = 0.90;

        // Adjust for noise
        let noise_penalty = device.gate_error_rate * 50.0;

        // Adjust for dimensionality
        let dim_bonus = (1.0 / (1.0 + chars.dimensionality_ratio)) * 0.05;

        Ok((base_accuracy - noise_penalty + dim_bonus)
            .max(0.5)
            .min(0.99))
    }

    /// Estimate QSVM training time
    fn estimate_qsvm_training_time(
        &self,
        chars: &ProblemCharacteristics,
        _device: &QuantumDevice,
    ) -> Result<f64> {
        // Kernel matrix computation is O(n^2)
        let time = (chars.n_samples * chars.n_samples) as f64 / 100.0;
        Ok(time)
    }

    /// Estimate QSVM cost
    fn estimate_qsvm_cost(
        &self,
        chars: &ProblemCharacteristics,
        device: &QuantumDevice,
    ) -> Result<f64> {
        let n_shots = 1000;
        let n_kernel_evaluations = chars.n_samples * chars.n_samples;
        let cost = n_kernel_evaluations as f64 * n_shots as f64 * device.cost_per_shot;
        Ok(cost)
    }

    /// Estimate QNN accuracy
    fn estimate_qnn_accuracy(
        &self,
        chars: &ProblemCharacteristics,
        device: &QuantumDevice,
    ) -> Result<f64> {
        let base_accuracy = 0.87;
        let noise_penalty = device.gate_error_rate * 40.0;
        let complexity_bonus = (chars.n_features as f64 / 100.0).min(0.08);

        Ok((base_accuracy - noise_penalty + complexity_bonus)
            .max(0.5)
            .min(0.99))
    }

    /// Estimate QNN training time
    fn estimate_qnn_training_time(
        &self,
        chars: &ProblemCharacteristics,
        _device: &QuantumDevice,
    ) -> Result<f64> {
        let n_epochs = 100;
        let time_per_epoch = chars.n_samples as f64 / 10.0;
        Ok(n_epochs as f64 * time_per_epoch)
    }

    /// Estimate QNN cost
    fn estimate_qnn_cost(
        &self,
        chars: &ProblemCharacteristics,
        device: &QuantumDevice,
    ) -> Result<f64> {
        let n_shots = 1000;
        let n_epochs = 100;
        let cost_per_epoch = chars.n_samples as f64 * n_shots as f64 * device.cost_per_shot;
        Ok(n_epochs as f64 * cost_per_epoch)
    }

    /// Select best option from quantum and classical algorithms
    fn select_best_option(
        &self,
        quantum_options: &[AlgorithmOption],
        classical_options: &[AlgorithmOption],
        chars: &ProblemCharacteristics,
        constraints: &ResourceConstraints,
    ) -> Result<AlgorithmOption> {
        let mut all_options = quantum_options.to_vec();
        all_options.extend(classical_options.iter().cloned());

        // Filter by constraints
        let filtered: Vec<_> = all_options
            .into_iter()
            .filter(|opt| {
                if let Some(max_time) = constraints.max_training_time {
                    if opt.expected_training_time_s > max_time {
                        return false;
                    }
                }

                if let Some(max_cost) = constraints.max_cost_per_inference {
                    if opt.expected_cost > max_cost {
                        return false;
                    }
                }

                true
            })
            .collect();

        if filtered.is_empty() {
            return Err(MLError::InvalidInput(
                "No algorithms satisfy the given constraints".to_string(),
            ));
        }

        // Score each option
        let best = filtered
            .into_iter()
            .max_by(|a, b| {
                let score_a = self.compute_option_score(a, chars, constraints);
                let score_b = self.compute_option_score(b, chars, constraints);
                score_a
                    .partial_cmp(&score_b)
                    .unwrap_or(std::cmp::Ordering::Equal)
            })
            .expect("filtered verified non-empty above");

        Ok(best)
    }

    /// Compute score for an algorithm option
    fn compute_option_score(
        &self,
        option: &AlgorithmOption,
        _chars: &ProblemCharacteristics,
        _constraints: &ResourceConstraints,
    ) -> f64 {
        // Multi-objective scoring
        let accuracy_score = option.expected_accuracy;
        let speed_score = 1.0 / (1.0 + option.expected_training_time_s / 100.0);
        let cost_score = 1.0 / (1.0 + option.expected_cost);
        let confidence_score = option.confidence;

        // Weighted combination
        accuracy_score * 0.4 + speed_score * 0.2 + cost_score * 0.2 + confidence_score * 0.2
    }

    /// Generate comprehensive recommendation
    fn generate_recommendation(
        &self,
        best_option: AlgorithmOption,
        chars: &ProblemCharacteristics,
        constraints: &ResourceConstraints,
    ) -> Result<AlgorithmRecommendation> {
        let algorithm_choice = match best_option.algorithm_type {
            AlgorithmType::Quantum => AlgorithmChoice::QuantumOnly {
                algorithm: best_option.name.clone(),
                device: constraints
                    .quantum_devices
                    .get(0)
                    .map(|d| d.name.clone())
                    .unwrap_or_else(|| "simulator".to_string()),
            },
            AlgorithmType::Classical => AlgorithmChoice::ClassicalOnly {
                algorithm: best_option.name.clone(),
                backend: if constraints.classical_compute.has_gpu {
                    "GPU".to_string()
                } else {
                    "CPU".to_string()
                },
            },
            AlgorithmType::Hybrid => AlgorithmChoice::Hybrid {
                quantum_component: "QNN".to_string(),
                classical_component: "Neural Network".to_string(),
                splitting_strategy: "Feature Engineering".to_string(),
            },
        };

        // Compute quantum advantage metrics
        let quantum_advantage = self.compute_quantum_advantage(&best_option, chars)?;

        // Generate hyperparameters
        let hyperparameters = self.generate_hyperparameters(&best_option, chars)?;

        // Estimate performance
        let expected_performance = PerformanceEstimate {
            accuracy: best_option.expected_accuracy,
            accuracy_ci: (
                best_option.expected_accuracy - 0.05,
                best_option.expected_accuracy + 0.05,
            ),
            training_time_s: best_option.expected_training_time_s,
            inference_latency_ms: best_option.expected_inference_latency_ms,
            memory_mb: chars.n_samples as f64 * chars.n_features as f64 * 8.0 / 1024.0 / 1024.0,
        };

        // Cost analysis
        let cost_analysis = self.generate_cost_analysis(&best_option, chars)?;

        // Calibration recommendation
        let calibration_method = self.recommend_calibration(&best_option, chars)?;

        // Production configuration
        let production_config =
            self.generate_production_config(&best_option, chars, constraints)?;

        Ok(AlgorithmRecommendation {
            algorithm_choice,
            quantum_advantage,
            hyperparameters,
            expected_performance,
            cost_analysis,
            confidence: best_option.confidence,
            calibration_method,
            production_config,
        })
    }

    /// Compute quantum advantage metrics
    fn compute_quantum_advantage(
        &self,
        option: &AlgorithmOption,
        _chars: &ProblemCharacteristics,
    ) -> Result<QuantumAdvantageMetrics> {
        let is_quantum = option.algorithm_type == AlgorithmType::Quantum;

        Ok(QuantumAdvantageMetrics {
            speedup: if is_quantum { 2.5 } else { 1.0 },
            accuracy_improvement: if is_quantum { 0.05 } else { 0.0 },
            sample_efficiency: if is_quantum { 1.8 } else { 1.0 },
            generalization_improvement: if is_quantum { 0.03 } else { 0.0 },
            statistical_significance: if is_quantum { 0.01 } else { 1.0 },
        })
    }

    /// Generate recommended hyperparameters
    fn generate_hyperparameters(
        &self,
        option: &AlgorithmOption,
        chars: &ProblemCharacteristics,
    ) -> Result<HashMap<String, f64>> {
        let mut params = HashMap::new();

        match option.name.as_str() {
            "QSVM" => {
                params.insert("n_shots".to_string(), 1000.0);
                params.insert("kernel_depth".to_string(), 3.0);
            }
            "QNN" => {
                params.insert("n_layers".to_string(), 5.0);
                params.insert("learning_rate".to_string(), 0.01);
                params.insert("batch_size".to_string(), 32.0);
            }
            "Neural Network" => {
                params.insert("hidden_layers".to_string(), 3.0);
                params.insert("neurons_per_layer".to_string(), 128.0);
                params.insert("learning_rate".to_string(), 0.001);
                params.insert("dropout".to_string(), 0.2);
            }
            _ => {}
        }

        Ok(params)
    }

    /// Generate cost analysis
    fn generate_cost_analysis(
        &self,
        option: &AlgorithmOption,
        chars: &ProblemCharacteristics,
    ) -> Result<CostAnalysis> {
        let training_cost = option.expected_cost;
        let inference_cost_per_sample = option.expected_cost / chars.n_samples as f64;

        let mut breakdown = HashMap::new();
        breakdown.insert("training".to_string(), training_cost);
        breakdown.insert("inference".to_string(), inference_cost_per_sample * 1000.0);

        Ok(CostAnalysis {
            training_cost,
            inference_cost_per_sample,
            total_cost: training_cost + inference_cost_per_sample * 10000.0,
            breakdown,
        })
    }

    /// Recommend calibration method
    fn recommend_calibration(
        &self,
        option: &AlgorithmOption,
        _chars: &ProblemCharacteristics,
    ) -> Result<Option<String>> {
        if option.algorithm_type == AlgorithmType::Quantum {
            Ok(Some("Bayesian Binning into Quantiles (BBQ)".to_string()))
        } else {
            Ok(Some("Platt Scaling".to_string()))
        }
    }

    /// Generate production configuration
    fn generate_production_config(
        &self,
        option: &AlgorithmOption,
        chars: &ProblemCharacteristics,
        constraints: &ResourceConstraints,
    ) -> Result<ProductionConfig> {
        let batch_size = if option.algorithm_type == AlgorithmType::Quantum {
            16
        } else if constraints.classical_compute.has_gpu {
            128
        } else {
            32
        };

        let n_workers = if option.algorithm_type == AlgorithmType::Quantum {
            1
        } else {
            constraints.classical_compute.n_cpu_cores.min(8)
        };

        let mut alert_thresholds = HashMap::new();
        alert_thresholds.insert(
            "latency_ms".to_string(),
            option.expected_inference_latency_ms * 2.0,
        );
        alert_thresholds.insert("accuracy".to_string(), option.expected_accuracy - 0.05);
        alert_thresholds.insert("error_rate".to_string(), 0.01);

        Ok(ProductionConfig {
            batch_size,
            n_workers,
            enable_caching: true,
            monitoring: MonitoringConfig {
                log_interval: 100,
                alert_thresholds,
                tracked_metrics: vec![
                    "accuracy".to_string(),
                    "latency".to_string(),
                    "throughput".to_string(),
                    "error_rate".to_string(),
                ],
            },
            scaling: ScalingConfig {
                auto_scaling: true,
                min_instances: 1,
                max_instances: 10,
                scale_up_threshold: 70.0,
                scale_down_threshold: 30.0,
            },
        })
    }

    /// Initialize performance prediction models
    fn initialize_performance_models() -> HashMap<String, PerformanceModel> {
        let mut models = HashMap::new();

        models.insert(
            "QSVM".to_string(),
            PerformanceModel {
                model_type: "linear".to_string(),
                coefficients: vec![0.9, -0.05, 0.03],
            },
        );

        models.insert(
            "QNN".to_string(),
            PerformanceModel {
                model_type: "linear".to_string(),
                coefficients: vec![0.87, -0.04, 0.05],
            },
        );

        models
    }

    /// Initialize cost prediction models
    fn initialize_cost_models() -> HashMap<String, CostModel> {
        let mut models = HashMap::new();

        models.insert(
            "QSVM".to_string(),
            CostModel {
                base_cost: 10.0,
                cost_per_sample: 0.01,
                cost_per_feature: 0.001,
                cost_per_qubit: 1.0,
            },
        );

        models.insert(
            "QNN".to_string(),
            CostModel {
                base_cost: 20.0,
                cost_per_sample: 0.02,
                cost_per_feature: 0.002,
                cost_per_qubit: 2.0,
            },
        );

        models
    }
}

/// Algorithm option being evaluated
#[derive(Debug, Clone)]
struct AlgorithmOption {
    name: String,
    algorithm_type: AlgorithmType,
    is_feasible: bool,
    expected_accuracy: f64,
    expected_training_time_s: f64,
    expected_inference_latency_ms: f64,
    expected_cost: f64,
    required_qubits: Option<usize>,
    confidence: f64,
}

/// Type of algorithm
#[derive(Debug, Clone, Copy, PartialEq)]
enum AlgorithmType {
    Quantum,
    Classical,
    Hybrid,
}

impl Default for DecisionThresholds {
    fn default() -> Self {
        Self {
            min_quantum_speedup: 1.5,
            min_accuracy_improvement: 0.02,
            max_cost_ratio: 10.0,
            min_confidence: 0.70,
        }
    }
}

impl ProblemCharacteristics {
    /// Extract problem characteristics from dataset
    pub fn from_dataset(x: &Array2<f64>, y: &Array1<usize>) -> Self {
        let n_samples = x.shape()[0];
        let n_features = x.shape()[1];
        let n_classes = y.iter().max().map(|&m| m + 1).unwrap_or(2);

        let dimensionality_ratio = n_features as f64 / n_samples as f64;

        // Compute sparsity
        let total_elements = n_samples * n_features;
        let zero_elements = x.iter().filter(|&&val| val.abs() < 1e-10).count();
        let sparsity = zero_elements as f64 / total_elements as f64;

        // Estimate condition number (simplified)
        let condition_number = 100.0; // Placeholder

        // Compute class imbalance
        let mut class_counts = vec![0; n_classes];
        for &label in y.iter() {
            if label < n_classes {
                class_counts[label] += 1;
            }
        }
        let max_count = class_counts.iter().max().copied().unwrap_or(1);
        let min_count = class_counts
            .iter()
            .filter(|&&c| c > 0)
            .min()
            .copied()
            .unwrap_or(1);
        let class_imbalance = max_count as f64 / min_count as f64;

        Self {
            n_samples,
            n_features,
            n_classes,
            dimensionality_ratio,
            sparsity,
            condition_number,
            class_imbalance,
            task_type: if n_classes == 2 {
                TaskType::BinaryClassification
            } else {
                TaskType::MultiClassClassification
            },
            domain: ProblemDomain::General,
        }
    }
}

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

    #[test]
    fn test_engine_creation() {
        let engine = HybridAutoMLEngine::new();
        assert!(!engine.performance_models.is_empty());
    }

    #[test]
    fn test_problem_characteristics_extraction() {
        let x = Array2::from_shape_fn((100, 10), |(i, j)| (i + j) as f64);
        let y = Array1::from_shape_fn(100, |i| i % 2);

        let chars = ProblemCharacteristics::from_dataset(&x, &y);

        assert_eq!(chars.n_samples, 100);
        assert_eq!(chars.n_features, 10);
        assert_eq!(chars.n_classes, 2);
        assert_eq!(chars.task_type, TaskType::BinaryClassification);
    }

    #[test]
    fn test_algorithm_recommendation() {
        let engine = HybridAutoMLEngine::new();

        let chars = ProblemCharacteristics {
            n_samples: 1000,
            n_features: 20,
            n_classes: 2,
            dimensionality_ratio: 0.02,
            sparsity: 0.0,
            condition_number: 10.0,
            class_imbalance: 1.2,
            task_type: TaskType::BinaryClassification,
            domain: ProblemDomain::General,
        };

        let constraints = ResourceConstraints {
            quantum_devices: vec![QuantumDevice {
                name: "ibm_quantum".to_string(),
                n_qubits: 20,
                gate_error_rate: 0.001,
                measurement_error_rate: 0.01,
                decoherence_time_us: 100.0,
                cost_per_shot: 0.0001,
                availability: DeviceAvailability::Available,
            }],
            classical_compute: ClassicalCompute {
                n_cpu_cores: 8,
                has_gpu: true,
                gpu_memory_gb: 16.0,
                ram_gb: 64.0,
            },
            max_latency_ms: Some(100.0),
            max_cost_per_inference: Some(1.0),
            max_training_time: Some(1000.0),
            max_power_consumption: None,
        };

        let recommendation = engine
            .analyze_and_recommend(&chars, &constraints)
            .expect("Failed to analyze and recommend");

        assert!(recommendation.confidence > 0.0);
        assert!(recommendation.expected_performance.accuracy > 0.0);
    }
}