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
//! Automated Pipeline Constructor
//!
//! This module provides automated construction of quantum ML pipelines.

use crate::automl::config::QuantumAutoMLConfig;
use crate::automl::pipeline::QuantumMLPipeline;
use crate::error::Result;
use scirs2_core::ndarray::{Array1, Array2};

/// Automated pipeline constructor
#[derive(Debug, Clone)]
pub struct AutomatedPipelineConstructor {
    /// Task detector
    task_detector: TaskDetector,

    /// Preprocessing optimizer
    preprocessing_optimizer: PreprocessingOptimizer,

    /// Algorithm selector
    algorithm_selector: AlgorithmSelector,

    /// Pipeline validator
    pipeline_validator: PipelineValidator,
}

/// Task detection from data
#[derive(Debug, Clone)]
pub struct TaskDetector {
    /// Feature analyzers
    feature_analyzers: Vec<FeatureAnalyzer>,

    /// Target analyzers
    target_analyzers: Vec<TargetAnalyzer>,

    /// Data pattern detectors
    pattern_detectors: Vec<PatternDetector>,
}

/// Feature analyzer
#[derive(Debug, Clone)]
pub struct FeatureAnalyzer {
    /// Analyzer type
    pub analyzer_type: FeatureAnalyzerType,

    /// Analysis results
    pub results: std::collections::HashMap<String, f64>,
}

/// Feature analyzer types
#[derive(Debug, Clone)]
pub enum FeatureAnalyzerType {
    DataTypeAnalyzer,
    DistributionAnalyzer,
    CorrelationAnalyzer,
    NullValueAnalyzer,
    OutlierAnalyzer,
    QuantumEncodingAnalyzer,
}

/// Target analyzer
#[derive(Debug, Clone)]
pub struct TargetAnalyzer {
    /// Analyzer type
    pub analyzer_type: TargetAnalyzerType,

    /// Analysis results
    pub results: std::collections::HashMap<String, f64>,
}

/// Target analyzer types
#[derive(Debug, Clone)]
pub enum TargetAnalyzerType {
    TaskTypeDetector,
    ClassBalanceAnalyzer,
    LabelDistributionAnalyzer,
    TemporalPatternAnalyzer,
}

/// Pattern detector
#[derive(Debug, Clone)]
pub struct PatternDetector {
    /// Pattern type
    pub pattern_type: PatternType,

    /// Detection confidence
    pub confidence: f64,
}

/// Pattern types
#[derive(Debug, Clone)]
pub enum PatternType {
    TimeSeriesPattern,
    SpatialPattern,
    NetworkPattern,
    HierarchicalPattern,
    QuantumPattern,
}

/// Preprocessing optimizer
#[derive(Debug, Clone)]
pub struct PreprocessingOptimizer {
    /// Available preprocessors
    preprocessors: Vec<PreprocessorCandidate>,

    /// Optimization strategy
    optimization_strategy: PreprocessingOptimizationStrategy,

    /// Performance tracker
    performance_tracker: PreprocessingPerformanceTracker,
}

/// Preprocessor candidate
#[derive(Debug, Clone)]
pub struct PreprocessorCandidate {
    /// Preprocessor type
    pub preprocessor_type: PreprocessorType,

    /// Configuration
    pub config: PreprocessorConfig,

    /// Performance score
    pub performance_score: f64,
}

/// Preprocessor types
#[derive(Debug, Clone)]
pub enum PreprocessorType {
    Scaler(String),
    FeatureSelector(String),
    QuantumEncoder(String),
    MissingValueHandler(String),
    DataAugmenter,
    OutlierDetector,
}

/// Preprocessor configuration
#[derive(Debug, Clone)]
pub struct PreprocessorConfig {
    /// Parameters
    pub parameters: std::collections::HashMap<String, f64>,

    /// Enabled features
    pub enabled_features: Vec<String>,
}

/// Preprocessing optimization strategy
#[derive(Debug, Clone)]
pub enum PreprocessingOptimizationStrategy {
    Sequential,
    Parallel,
    Evolutionary,
    BayesianOptimization,
    QuantumAnnealing,
}

/// Preprocessing performance tracker
#[derive(Debug, Clone)]
pub struct PreprocessingPerformanceTracker {
    /// Performance history
    pub performance_history: Vec<PreprocessingPerformance>,

    /// Best configuration
    pub best_config: Option<PreprocessorConfig>,
}

/// Preprocessing performance
#[derive(Debug, Clone)]
pub struct PreprocessingPerformance {
    /// Data quality score
    pub data_quality_score: f64,

    /// Feature importance scores
    pub feature_importance: Array1<f64>,

    /// Quantum encoding efficiency
    pub quantum_encoding_efficiency: f64,

    /// Processing time
    pub processing_time: f64,
}

/// Algorithm selector
#[derive(Debug, Clone)]
pub struct AlgorithmSelector {
    /// Available algorithms
    algorithms: Vec<AlgorithmCandidate>,

    /// Selection strategy
    selection_strategy: AlgorithmSelectionStrategy,

    /// Performance predictor
    performance_predictor: AlgorithmPerformancePredictor,
}

/// Algorithm candidate
#[derive(Debug, Clone)]
pub struct AlgorithmCandidate {
    /// Algorithm type
    pub algorithm_type: AlgorithmType,

    /// Quantum enhancement level
    pub quantum_enhancement: QuantumEnhancementLevel,

    /// Estimated performance
    pub estimated_performance: f64,

    /// Resource requirements
    pub resource_requirements: ResourceRequirements,
}

/// Algorithm types
#[derive(Debug, Clone)]
pub enum AlgorithmType {
    QuantumNeuralNetwork,
    QuantumSVM,
    QuantumClustering,
    QuantumDimensionalityReduction,
    QuantumTimeSeries,
    QuantumAnomalyDetection,
    ClassicalBaseline,
}

/// Quantum enhancement levels
#[derive(Debug, Clone)]
pub enum QuantumEnhancementLevel {
    Classical,
    QuantumInspired,
    QuantumHybrid,
    FullQuantum,
    QuantumAdvantage,
}

/// Resource requirements
#[derive(Debug, Clone)]
pub struct ResourceRequirements {
    /// Computational complexity
    pub computational_complexity: f64,

    /// Memory requirements
    pub memory_requirements: f64,

    /// Quantum resource requirements
    pub quantum_requirements: QuantumResourceRequirements,

    /// Training time estimate
    pub training_time_estimate: f64,
}

/// Quantum resource requirements
#[derive(Debug, Clone)]
pub struct QuantumResourceRequirements {
    /// Required qubits
    pub required_qubits: usize,

    /// Required circuit depth
    pub required_circuit_depth: usize,

    /// Required coherence time
    pub required_coherence_time: f64,

    /// Required gate fidelity
    pub required_gate_fidelity: f64,
}

/// Algorithm selection strategy
#[derive(Debug, Clone)]
pub enum AlgorithmSelectionStrategy {
    PerformanceBased,
    ResourceEfficient,
    QuantumAdvantage,
    MultiObjective,
    EnsembleBased,
    MetaLearning,
}

/// Algorithm performance predictor
#[derive(Debug, Clone)]
pub struct AlgorithmPerformancePredictor {
    /// Meta-learning model
    meta_model: Option<MetaLearningModel>,

    /// Performance database
    performance_database: PerformanceDatabase,

    /// Prediction strategy
    prediction_strategy: PerformancePredictionStrategy,
}

/// Meta-learning model
#[derive(Debug, Clone)]
pub struct MetaLearningModel {
    /// Model type
    pub model_type: String,

    /// Meta-features
    pub meta_features: Vec<String>,

    /// Trained parameters
    pub parameters: Array1<f64>,
}

/// Performance database
#[derive(Debug, Clone)]
pub struct PerformanceDatabase {
    /// Historical performance records
    pub records: Vec<PerformanceRecord>,
}

/// Performance record
#[derive(Debug, Clone)]
pub struct PerformanceRecord {
    /// Dataset characteristics
    pub dataset_features: std::collections::HashMap<String, f64>,

    /// Algorithm used
    pub algorithm: String,

    /// Performance achieved
    pub performance: f64,
}

/// Performance prediction strategies
#[derive(Debug, Clone)]
pub enum PerformancePredictionStrategy {
    SimilarityBased,
    MetaLearning,
    TheoreticalAnalysis,
    CombinedApproach,
}

/// Pipeline validator
#[derive(Debug, Clone)]
pub struct PipelineValidator {
    /// Validation rules
    validation_rules: Vec<ValidationRule>,

    /// Performance validators
    performance_validators: Vec<PerformanceValidator>,
}

/// Validation rule
#[derive(Debug, Clone)]
pub struct ValidationRule {
    /// Rule type
    pub rule_type: ValidationRuleType,

    /// Rule description
    pub description: String,

    /// Severity level
    pub severity: ValidationSeverity,
}

/// Validation rule types
#[derive(Debug, Clone)]
pub enum ValidationRuleType {
    DataCompatibility,
    ResourceConstraints,
    QuantumConstraints,
    PerformanceThreshold,
    ConsistencyCheck,
}

/// Validation severity levels
#[derive(Debug, Clone)]
pub enum ValidationSeverity {
    Error,
    Warning,
    Info,
}

/// Performance validator
#[derive(Debug, Clone)]
pub struct PerformanceValidator {
    /// Validator type
    pub validator_type: PerformanceValidatorType,

    /// Validation criteria
    pub criteria: ValidationCriteria,
}

/// Performance validator types
#[derive(Debug, Clone)]
pub enum PerformanceValidatorType {
    AccuracyValidator,
    RobustnessValidator,
    QuantumAdvantageValidator,
    ResourceEfficiencyValidator,
    FairnessValidator,
}

/// Validation criteria
#[derive(Debug, Clone)]
pub struct ValidationCriteria {
    /// Minimum performance threshold
    pub min_performance: f64,

    /// Maximum resource usage
    pub max_resource_usage: f64,

    /// Required quantum advantage
    pub required_quantum_advantage: Option<f64>,
}

impl AutomatedPipelineConstructor {
    /// Create a new pipeline constructor
    pub fn new(config: &QuantumAutoMLConfig) -> Self {
        Self {
            task_detector: TaskDetector::new(),
            preprocessing_optimizer: PreprocessingOptimizer::new(
                &config.search_space.preprocessing,
            ),
            algorithm_selector: AlgorithmSelector::new(&config.search_space.algorithms),
            pipeline_validator: PipelineValidator::new(&config.evaluation_config),
        }
    }

    /// Construct a pipeline for the given data and configuration
    pub fn construct_pipeline(
        &self,
        X: &Array2<f64>,
        y: &Array1<f64>,
        config: &QuantumAutoMLConfig,
    ) -> Result<QuantumMLPipeline> {
        // Analyze data characteristics
        let data_analysis = self.task_detector.analyze_data(X, y)?;

        // Optimize preprocessing
        let preprocessing_config = self
            .preprocessing_optimizer
            .optimize(X, y, &data_analysis)?;

        // Select best algorithm
        let algorithm_candidate = self
            .algorithm_selector
            .select_algorithm(&data_analysis, &config.task_type)?;

        // Construct pipeline
        let pipeline =
            QuantumMLPipeline::new(algorithm_candidate, preprocessing_config, config.clone())?;

        // Validate pipeline
        self.pipeline_validator.validate(&pipeline, X, y)?;

        Ok(pipeline)
    }
}

impl TaskDetector {
    fn new() -> Self {
        Self {
            feature_analyzers: vec![
                FeatureAnalyzer::new(FeatureAnalyzerType::DataTypeAnalyzer),
                FeatureAnalyzer::new(FeatureAnalyzerType::DistributionAnalyzer),
                FeatureAnalyzer::new(FeatureAnalyzerType::CorrelationAnalyzer),
            ],
            target_analyzers: vec![
                TargetAnalyzer::new(TargetAnalyzerType::TaskTypeDetector),
                TargetAnalyzer::new(TargetAnalyzerType::ClassBalanceAnalyzer),
            ],
            pattern_detectors: vec![
                PatternDetector::new(PatternType::TimeSeriesPattern),
                PatternDetector::new(PatternType::QuantumPattern),
            ],
        }
    }

    fn analyze_data(&self, X: &Array2<f64>, y: &Array1<f64>) -> Result<DataAnalysis> {
        // Simplified data analysis
        Ok(DataAnalysis {
            num_features: X.ncols(),
            num_samples: X.nrows(),
            feature_types: vec!["numerical".to_string(); X.ncols()],
            target_type: "numerical".to_string(),
            data_complexity: 0.5, // Simplified estimate
        })
    }
}

/// Data analysis results
#[derive(Debug, Clone)]
pub struct DataAnalysis {
    pub num_features: usize,
    pub num_samples: usize,
    pub feature_types: Vec<String>,
    pub target_type: String,
    pub data_complexity: f64,
}

impl FeatureAnalyzer {
    fn new(analyzer_type: FeatureAnalyzerType) -> Self {
        Self {
            analyzer_type,
            results: std::collections::HashMap::new(),
        }
    }
}

impl TargetAnalyzer {
    fn new(analyzer_type: TargetAnalyzerType) -> Self {
        Self {
            analyzer_type,
            results: std::collections::HashMap::new(),
        }
    }
}

impl PatternDetector {
    fn new(pattern_type: PatternType) -> Self {
        Self {
            pattern_type,
            confidence: 0.0,
        }
    }
}

impl PreprocessingOptimizer {
    fn new(preprocessing_space: &crate::automl::config::PreprocessingSearchSpace) -> Self {
        Self {
            preprocessors: Vec::new(),
            optimization_strategy: PreprocessingOptimizationStrategy::Sequential,
            performance_tracker: PreprocessingPerformanceTracker::new(),
        }
    }

    fn optimize(
        &self,
        X: &Array2<f64>,
        y: &Array1<f64>,
        data_analysis: &DataAnalysis,
    ) -> Result<PreprocessorConfig> {
        // Simplified preprocessing optimization
        Ok(PreprocessorConfig {
            parameters: std::collections::HashMap::new(),
            enabled_features: (0..X.ncols()).map(|i| format!("feature_{}", i)).collect(),
        })
    }
}

impl PreprocessingPerformanceTracker {
    fn new() -> Self {
        Self {
            performance_history: Vec::new(),
            best_config: None,
        }
    }
}

impl AlgorithmSelector {
    fn new(algorithm_space: &crate::automl::config::AlgorithmSearchSpace) -> Self {
        Self {
            algorithms: Vec::new(),
            selection_strategy: AlgorithmSelectionStrategy::PerformanceBased,
            performance_predictor: AlgorithmPerformancePredictor::new(),
        }
    }

    fn select_algorithm(
        &self,
        data_analysis: &DataAnalysis,
        task_type: &Option<crate::automl::config::MLTaskType>,
    ) -> Result<AlgorithmCandidate> {
        // Simplified algorithm selection
        Ok(AlgorithmCandidate {
            algorithm_type: AlgorithmType::QuantumNeuralNetwork,
            quantum_enhancement: QuantumEnhancementLevel::QuantumHybrid,
            estimated_performance: 0.8,
            resource_requirements: ResourceRequirements {
                computational_complexity: 1.0,
                memory_requirements: 256.0,
                quantum_requirements: QuantumResourceRequirements {
                    required_qubits: 4,
                    required_circuit_depth: 6,
                    required_coherence_time: 100.0,
                    required_gate_fidelity: 0.99,
                },
                training_time_estimate: 300.0,
            },
        })
    }
}

impl AlgorithmPerformancePredictor {
    fn new() -> Self {
        Self {
            meta_model: None,
            performance_database: PerformanceDatabase::new(),
            prediction_strategy: PerformancePredictionStrategy::SimilarityBased,
        }
    }
}

impl PerformanceDatabase {
    fn new() -> Self {
        Self {
            records: Vec::new(),
        }
    }
}

impl PipelineValidator {
    fn new(evaluation_config: &crate::automl::config::EvaluationConfig) -> Self {
        Self {
            validation_rules: Vec::new(),
            performance_validators: Vec::new(),
        }
    }

    fn validate(
        &self,
        pipeline: &QuantumMLPipeline,
        X: &Array2<f64>,
        y: &Array1<f64>,
    ) -> Result<()> {
        // Simplified validation
        Ok(())
    }
}