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
//! Quantum Model Selector
//!
//! This module provides model selection functionality for quantum ML algorithms.

use crate::automl::config::{AlgorithmSearchSpace, MLTaskType};
use crate::automl::pipeline::QuantumMLPipeline;
use crate::error::Result;
use std::collections::HashMap;

/// Quantum model selector
#[derive(Debug, Clone)]
pub struct QuantumModelSelector {
    /// Model candidates
    model_candidates: Vec<ModelCandidate>,

    /// Selection strategy
    selection_strategy: ModelSelectionStrategy,

    /// Performance estimator
    performance_estimator: ModelPerformanceEstimator,
}

/// Model candidate
#[derive(Debug, Clone)]
pub struct ModelCandidate {
    /// Model type
    pub model_type: ModelType,

    /// Model configuration
    pub configuration: ModelConfiguration,

    /// Estimated performance
    pub estimated_performance: f64,

    /// Resource requirements
    pub resource_requirements: ResourceRequirements,
}

/// Model types
#[derive(Debug, Clone)]
pub enum ModelType {
    QuantumNeuralNetwork,
    QuantumSupportVectorMachine,
    QuantumClustering,
    QuantumDimensionalityReduction,
    QuantumTimeSeries,
    QuantumAnomalyDetection,
    EnsembleModel,
}

/// Model configuration
#[derive(Debug, Clone)]
pub struct ModelConfiguration {
    /// Architecture configuration
    pub architecture: ArchitectureConfiguration,

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

    /// Preprocessing configuration
    pub preprocessing: PreprocessorConfig,
}

/// Architecture configuration
#[derive(Debug, Clone)]
pub struct ArchitectureConfiguration {
    /// Network layers
    pub layers: Vec<LayerConfig>,

    /// Quantum circuit configuration
    pub quantum_config: QuantumCircuitConfig,

    /// Hybrid configuration
    pub hybrid_config: Option<HybridConfiguration>,
}

/// Layer configuration
#[derive(Debug, Clone)]
pub struct LayerConfig {
    /// Layer type
    pub layer_type: String,

    /// Layer size
    pub size: usize,

    /// Activation function
    pub activation: String,
}

/// Quantum circuit configuration
#[derive(Debug, Clone)]
pub struct QuantumCircuitConfig {
    /// Number of qubits
    pub num_qubits: usize,

    /// Circuit depth
    pub depth: usize,

    /// Gate sequence
    pub gates: Vec<String>,

    /// Entanglement pattern
    pub entanglement: String,
}

/// Hybrid configuration
#[derive(Debug, Clone)]
pub struct HybridConfiguration {
    /// Quantum-classical split
    pub quantum_classical_split: f64,

    /// Interface method
    pub interface_method: String,

    /// Synchronization strategy
    pub synchronization_strategy: String,
}

/// Preprocessor configuration
#[derive(Debug, Clone)]
pub struct PreprocessorConfig {
    /// Scaling method
    pub scaling: String,

    /// Feature selection
    pub feature_selection: Option<String>,

    /// Quantum encoding
    pub quantum_encoding: String,
}

/// 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,
}

/// Model selection strategy
#[derive(Debug, Clone)]
pub enum ModelSelectionStrategy {
    BestPerformance,
    ParetoOptimal,
    ResourceConstrained,
    QuantumAdvantage,
    EnsembleBased,
    MetaLearning,
}

/// Model performance estimator
#[derive(Debug, Clone)]
pub struct ModelPerformanceEstimator {
    /// Estimation method
    method: PerformanceEstimationMethod,

    /// Historical performance data
    performance_database: HashMap<String, f64>,
}

/// Performance estimation methods
#[derive(Debug, Clone)]
pub enum PerformanceEstimationMethod {
    HistoricalData,
    MetaLearning,
    TheoreticalAnalysis,
    QuickValidation,
}

impl QuantumModelSelector {
    /// Create a new model selector
    pub fn new(algorithm_space: &AlgorithmSearchSpace) -> Self {
        let mut model_candidates = Vec::new();

        // Add quantum neural networks if enabled
        if algorithm_space.quantum_neural_networks {
            model_candidates.push(ModelCandidate {
                model_type: ModelType::QuantumNeuralNetwork,
                configuration: ModelConfiguration::default_qnn(),
                estimated_performance: 0.8,
                resource_requirements: ResourceRequirements::moderate(),
            });
        }

        // Add quantum SVM if enabled
        if algorithm_space.quantum_svm {
            model_candidates.push(ModelCandidate {
                model_type: ModelType::QuantumSupportVectorMachine,
                configuration: ModelConfiguration::default_qsvm(),
                estimated_performance: 0.75,
                resource_requirements: ResourceRequirements::low(),
            });
        }

        // Add other quantum algorithms
        if algorithm_space.quantum_clustering {
            model_candidates.push(ModelCandidate {
                model_type: ModelType::QuantumClustering,
                configuration: ModelConfiguration::default_clustering(),
                estimated_performance: 0.7,
                resource_requirements: ResourceRequirements::moderate(),
            });
        }

        Self {
            model_candidates,
            selection_strategy: ModelSelectionStrategy::BestPerformance,
            performance_estimator: ModelPerformanceEstimator::new(),
        }
    }

    /// Select the best model for a given task
    pub fn select_model(&self, task_type: &MLTaskType) -> Result<ModelCandidate> {
        let suitable_candidates = self.filter_candidates_by_task(task_type);

        if suitable_candidates.is_empty() {
            return Err(crate::error::MLError::InvalidParameter(
                "No suitable model candidates found".to_string(),
            ));
        }

        match self.selection_strategy {
            ModelSelectionStrategy::BestPerformance => Ok(suitable_candidates
                .into_iter()
                .max_by(|a, b| {
                    a.estimated_performance
                        .partial_cmp(&b.estimated_performance)
                        .unwrap_or(std::cmp::Ordering::Equal)
                })
                .expect("Candidates verified non-empty above")
                .clone()),
            ModelSelectionStrategy::ResourceConstrained => Ok(suitable_candidates
                .into_iter()
                .min_by(|a, b| {
                    a.resource_requirements
                        .computational_complexity
                        .partial_cmp(&b.resource_requirements.computational_complexity)
                        .unwrap_or(std::cmp::Ordering::Equal)
                })
                .expect("Candidates verified non-empty above")
                .clone()),
            _ => {
                // Default to best performance
                Ok(suitable_candidates
                    .into_iter()
                    .max_by(|a, b| {
                        a.estimated_performance
                            .partial_cmp(&b.estimated_performance)
                            .unwrap_or(std::cmp::Ordering::Equal)
                    })
                    .expect("Candidates verified non-empty above")
                    .clone())
            }
        }
    }

    /// Get all available model candidates
    pub fn get_candidates(&self) -> &[ModelCandidate] {
        &self.model_candidates
    }

    /// Update model performance estimates
    pub fn update_performance_estimates(&mut self, performance_data: HashMap<String, f64>) {
        self.performance_estimator
            .performance_database
            .extend(performance_data);
    }

    // Private methods

    fn filter_candidates_by_task(&self, task_type: &MLTaskType) -> Vec<&ModelCandidate> {
        self.model_candidates
            .iter()
            .filter(|candidate| self.is_suitable_for_task(&candidate.model_type, task_type))
            .collect()
    }

    fn is_suitable_for_task(&self, model_type: &ModelType, task_type: &MLTaskType) -> bool {
        match (model_type, task_type) {
            (ModelType::QuantumNeuralNetwork, _) => true, // QNNs are versatile
            (ModelType::QuantumSupportVectorMachine, MLTaskType::BinaryClassification) => true,
            (ModelType::QuantumSupportVectorMachine, MLTaskType::MultiClassification { .. }) => {
                true
            }
            (ModelType::QuantumClustering, MLTaskType::Clustering { .. }) => true,
            (
                ModelType::QuantumDimensionalityReduction,
                MLTaskType::DimensionalityReduction { .. },
            ) => true,
            (ModelType::QuantumTimeSeries, MLTaskType::TimeSeriesForecasting { .. }) => true,
            (ModelType::QuantumAnomalyDetection, MLTaskType::AnomalyDetection) => true,
            (ModelType::EnsembleModel, _) => true, // Ensembles are always suitable
            _ => false,
        }
    }
}

impl ModelConfiguration {
    fn default_qnn() -> Self {
        Self {
            architecture: ArchitectureConfiguration {
                layers: vec![
                    LayerConfig {
                        layer_type: "quantum".to_string(),
                        size: 4,
                        activation: "none".to_string(),
                    },
                    LayerConfig {
                        layer_type: "classical".to_string(),
                        size: 10,
                        activation: "relu".to_string(),
                    },
                ],
                quantum_config: QuantumCircuitConfig {
                    num_qubits: 4,
                    depth: 3,
                    gates: vec!["RY".to_string(), "CNOT".to_string()],
                    entanglement: "linear".to_string(),
                },
                hybrid_config: Some(HybridConfiguration {
                    quantum_classical_split: 0.5,
                    interface_method: "measurement".to_string(),
                    synchronization_strategy: "sequential".to_string(),
                }),
            },
            hyperparameters: {
                let mut params = HashMap::new();
                params.insert("learning_rate".to_string(), 0.01);
                params.insert("batch_size".to_string(), 32.0);
                params
            },
            preprocessing: PreprocessorConfig {
                scaling: "standard".to_string(),
                feature_selection: None,
                quantum_encoding: "angle".to_string(),
            },
        }
    }

    fn default_qsvm() -> Self {
        Self {
            architecture: ArchitectureConfiguration {
                layers: vec![],
                quantum_config: QuantumCircuitConfig {
                    num_qubits: 8,
                    depth: 2,
                    gates: vec!["H".to_string(), "CNOT".to_string()],
                    entanglement: "full".to_string(),
                },
                hybrid_config: None,
            },
            hyperparameters: {
                let mut params = HashMap::new();
                params.insert("C".to_string(), 1.0);
                params.insert("gamma".to_string(), 0.1);
                params
            },
            preprocessing: PreprocessorConfig {
                scaling: "minmax".to_string(),
                feature_selection: Some("variance".to_string()),
                quantum_encoding: "amplitude".to_string(),
            },
        }
    }

    fn default_clustering() -> Self {
        Self {
            architecture: ArchitectureConfiguration {
                layers: vec![],
                quantum_config: QuantumCircuitConfig {
                    num_qubits: 6,
                    depth: 4,
                    gates: vec!["RX".to_string(), "RZ".to_string(), "CNOT".to_string()],
                    entanglement: "circular".to_string(),
                },
                hybrid_config: None,
            },
            hyperparameters: {
                let mut params = HashMap::new();
                params.insert("num_clusters".to_string(), 3.0);
                params.insert("max_iter".to_string(), 100.0);
                params
            },
            preprocessing: PreprocessorConfig {
                scaling: "robust".to_string(),
                feature_selection: None,
                quantum_encoding: "basis".to_string(),
            },
        }
    }
}

impl ResourceRequirements {
    fn low() -> Self {
        Self {
            computational_complexity: 1.0,
            memory_requirements: 100.0, // MB
            quantum_requirements: QuantumResourceRequirements {
                required_qubits: 4,
                required_circuit_depth: 10,
                required_coherence_time: 50.0,
                required_gate_fidelity: 0.99,
            },
            training_time_estimate: 300.0, // seconds
        }
    }

    fn moderate() -> Self {
        Self {
            computational_complexity: 5.0,
            memory_requirements: 500.0, // MB
            quantum_requirements: QuantumResourceRequirements {
                required_qubits: 8,
                required_circuit_depth: 20,
                required_coherence_time: 100.0,
                required_gate_fidelity: 0.995,
            },
            training_time_estimate: 900.0, // seconds
        }
    }

    fn high() -> Self {
        Self {
            computational_complexity: 10.0,
            memory_requirements: 2000.0, // MB
            quantum_requirements: QuantumResourceRequirements {
                required_qubits: 16,
                required_circuit_depth: 50,
                required_coherence_time: 200.0,
                required_gate_fidelity: 0.999,
            },
            training_time_estimate: 3600.0, // seconds
        }
    }
}

impl ModelPerformanceEstimator {
    fn new() -> Self {
        Self {
            method: PerformanceEstimationMethod::HistoricalData,
            performance_database: HashMap::new(),
        }
    }
}