quantrs2-core 0.1.3

Core types and traits for the QuantRS2 quantum computing 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
//! Quantum Memory Networks
//!
//! This module implements memory-augmented quantum neural networks that can
//! store and retrieve quantum information for enhanced learning capabilities.
//!
//! # Theoretical Background
//!
//! Quantum Memory Networks extend neural networks with external quantum memory,
//! allowing them to store and recall quantum states. This is particularly useful
//! for tasks requiring long-term dependencies and complex reasoning.
//!
//! # Key Components
//!
//! - **Quantum Memory Bank**: Stores quantum states with addressable slots
//! - **Attention-Based Addressing**: Uses quantum attention to read/write memory
//! - **Memory Controller**: Manages memory operations and updates
//! - **Neural Turing Machine-like Architecture**: Quantum version of differentiable memory
//!
//! # References
//!
//! - "Quantum Neural Turing Machines"
//! - "Memory-Augmented Quantum Neural Networks"
//! - "Differentiable Quantum Memory Systems"

use crate::{
    error::{QuantRS2Error, QuantRS2Result},
    gate::GateOp,
    qubit::QubitId,
};
use scirs2_core::ndarray::{Array1, Array2, Array3, Axis};
use scirs2_core::random::prelude::*;
use scirs2_core::Complex64;
use std::f64::consts::PI;

/// Configuration for quantum memory network
#[derive(Debug, Clone)]
pub struct QuantumMemoryConfig {
    /// Number of memory slots
    pub memory_slots: usize,
    /// Number of qubits per memory slot
    pub qubits_per_slot: usize,
    /// Controller network size
    pub controller_size: usize,
    /// Number of read heads
    pub num_read_heads: usize,
    /// Number of write heads
    pub num_write_heads: usize,
    /// Memory initialization strategy
    pub init_strategy: MemoryInitStrategy,
}

impl Default for QuantumMemoryConfig {
    fn default() -> Self {
        Self {
            memory_slots: 128,
            qubits_per_slot: 4,
            controller_size: 64,
            num_read_heads: 1,
            num_write_heads: 1,
            init_strategy: MemoryInitStrategy::Zero,
        }
    }
}

/// Memory initialization strategy
#[derive(Debug, Clone, Copy, PartialEq, Eq)]
pub enum MemoryInitStrategy {
    /// Initialize to |0⟩ states
    Zero,
    /// Random product states
    RandomProduct,
    /// Maximally entangled states
    MaximallyEntangled,
}

/// Quantum memory bank
#[derive(Debug, Clone)]
pub struct QuantumMemory {
    /// Memory slots (each is a quantum state)
    slots: Array2<Complex64>,
    /// Number of slots
    num_slots: usize,
    /// Qubits per slot
    qubits_per_slot: usize,
    /// Memory usage tracking
    usage_weights: Array1<f64>,
}

impl QuantumMemory {
    /// Create new quantum memory
    pub fn new(
        num_slots: usize,
        qubits_per_slot: usize,
        init_strategy: MemoryInitStrategy,
    ) -> Self {
        let state_dim = 1 << qubits_per_slot;
        let mut slots = Array2::zeros((num_slots, state_dim));

        // Initialize memory based on strategy
        match init_strategy {
            MemoryInitStrategy::Zero => {
                // All slots in |0...0⟩ state
                for i in 0..num_slots {
                    slots[[i, 0]] = Complex64::new(1.0, 0.0);
                }
            }
            MemoryInitStrategy::RandomProduct => {
                let mut rng = thread_rng();
                for i in 0..num_slots {
                    // Random product state
                    for j in 0..state_dim {
                        slots[[i, j]] = Complex64::new(
                            rng.random_range(-1.0..1.0),
                            rng.random_range(-1.0..1.0),
                        );
                    }
                    // Normalize
                    let norm: f64 = slots
                        .row(i)
                        .iter()
                        .map(|x| x.norm_sqr())
                        .sum::<f64>()
                        .sqrt();
                    for j in 0..state_dim {
                        slots[[i, j]] = slots[[i, j]] / norm;
                    }
                }
            }
            MemoryInitStrategy::MaximallyEntangled => {
                // Bell states for pairs of qubits
                for i in 0..num_slots {
                    let sqrt_half = 1.0 / (2.0_f64).sqrt();
                    slots[[i, 0]] = Complex64::new(sqrt_half, 0.0);
                    slots[[i, state_dim - 1]] = Complex64::new(sqrt_half, 0.0);
                }
            }
        }

        let usage_weights = Array1::zeros(num_slots);

        Self {
            slots,
            num_slots,
            qubits_per_slot,
            usage_weights,
        }
    }

    /// Read from memory using attention weights
    pub fn read(&self, attention_weights: &Array1<f64>) -> QuantRS2Result<Array1<Complex64>> {
        if attention_weights.len() != self.num_slots {
            return Err(QuantRS2Error::InvalidInput(format!(
                "Attention weights size {} does not match memory slots {}",
                attention_weights.len(),
                self.num_slots
            )));
        }

        let state_dim = self.slots.shape()[1];
        let mut read_state = Array1::zeros(state_dim);

        // Weighted sum of memory slots
        for i in 0..self.num_slots {
            let weight = attention_weights[i];
            for j in 0..state_dim {
                read_state[j] = read_state[j] + self.slots[[i, j]] * weight;
            }
        }

        // Normalize
        let norm: f64 = read_state
            .iter()
            .map(|x: &Complex64| x.norm_sqr())
            .sum::<f64>()
            .sqrt();
        if norm > 1e-10 {
            for i in 0..state_dim {
                read_state[i] = read_state[i] / norm;
            }
        }

        Ok(read_state)
    }

    /// Write to memory using attention weights
    pub fn write(
        &mut self,
        attention_weights: &Array1<f64>,
        write_vector: &Array1<Complex64>,
        erase_vector: &Array1<f64>,
    ) -> QuantRS2Result<()> {
        if attention_weights.len() != self.num_slots {
            return Err(QuantRS2Error::InvalidInput(
                "Attention weights size mismatch".to_string(),
            ));
        }

        let state_dim = self.slots.shape()[1];

        if write_vector.len() != state_dim || erase_vector.len() != state_dim {
            return Err(QuantRS2Error::InvalidInput(
                "Write/erase vector size mismatch".to_string(),
            ));
        }

        // Update each memory slot
        for i in 0..self.num_slots {
            let weight = attention_weights[i];

            // Erase step: M[i] = M[i] * (1 - w[i] * e)
            for j in 0..state_dim {
                let erase_amount = weight * erase_vector[j];
                self.slots[[i, j]] = self.slots[[i, j]] * (1.0 - erase_amount);
            }

            // Add step: M[i] = M[i] + w[i] * a
            for j in 0..state_dim {
                self.slots[[i, j]] = self.slots[[i, j]] + write_vector[j] * weight;
            }

            // Renormalize to maintain quantum state
            let norm: f64 = self
                .slots
                .row(i)
                .iter()
                .map(|x| x.norm_sqr())
                .sum::<f64>()
                .sqrt();
            if norm > 1e-10 {
                for j in 0..state_dim {
                    self.slots[[i, j]] = self.slots[[i, j]] / norm;
                }
            }
        }

        Ok(())
    }

    /// Get memory state
    pub fn get_state(&self, slot: usize) -> QuantRS2Result<Array1<Complex64>> {
        if slot >= self.num_slots {
            return Err(QuantRS2Error::InvalidInput(
                "Invalid slot index".to_string(),
            ));
        }

        Ok(self.slots.row(slot).to_owned())
    }

    /// Update usage weights
    pub fn update_usage(&mut self, read_weights: &Array1<f64>, write_weights: &Array1<f64>) {
        for i in 0..self.num_slots {
            let usage = read_weights[i] + write_weights[i];
            self.usage_weights[i] = (self.usage_weights[i] + usage).min(1.0);
        }
    }

    /// Get least used slot (for allocation)
    pub fn get_least_used_slot(&self) -> usize {
        let mut min_usage = f64::INFINITY;
        let mut min_idx = 0;

        for i in 0..self.num_slots {
            if self.usage_weights[i] < min_usage {
                min_usage = self.usage_weights[i];
                min_idx = i;
            }
        }

        min_idx
    }
}

/// Memory controller that manages read/write operations
#[derive(Debug, Clone)]
pub struct QuantumMemoryController {
    /// Input size
    input_size: usize,
    /// Controller hidden size
    hidden_size: usize,
    /// Memory configuration
    memory_config: QuantumMemoryConfig,
    /// Controller parameters (LSTM-like)
    w_input: Array2<f64>,
    w_hidden: Array2<f64>,
    b_hidden: Array1<f64>,
    /// Read head parameters
    w_read_key: Vec<Array2<f64>>,
    /// Write head parameters
    w_write_key: Vec<Array2<f64>>,
    w_write_add: Vec<Array2<Complex64>>,
    w_write_erase: Vec<Array2<f64>>,
    /// Controller state
    hidden_state: Array1<f64>,
}

impl QuantumMemoryController {
    /// Create new memory controller
    pub fn new(input_size: usize, memory_config: QuantumMemoryConfig) -> Self {
        let hidden_size = memory_config.controller_size;
        let mut rng = thread_rng();

        let scale_input = (2.0 / input_size as f64).sqrt();
        let scale_hidden = (2.0 / hidden_size as f64).sqrt();

        let w_input = Array2::from_shape_fn((hidden_size, input_size), |_| {
            rng.random_range(-scale_input..scale_input)
        });

        let w_hidden = Array2::from_shape_fn((hidden_size, hidden_size), |_| {
            rng.random_range(-scale_hidden..scale_hidden)
        });

        let b_hidden = Array1::zeros(hidden_size);

        // Initialize read head parameters
        let mut w_read_key = Vec::with_capacity(memory_config.num_read_heads);
        for _ in 0..memory_config.num_read_heads {
            let state_dim = 1 << memory_config.qubits_per_slot;
            w_read_key.push(Array2::from_shape_fn((state_dim, hidden_size), |_| {
                rng.random_range(-scale_hidden..scale_hidden)
            }));
        }

        // Initialize write head parameters
        let mut w_write_key = Vec::with_capacity(memory_config.num_write_heads);
        let mut w_write_add = Vec::with_capacity(memory_config.num_write_heads);
        let mut w_write_erase = Vec::with_capacity(memory_config.num_write_heads);

        for _ in 0..memory_config.num_write_heads {
            let state_dim = 1 << memory_config.qubits_per_slot;

            w_write_key.push(Array2::from_shape_fn((state_dim, hidden_size), |_| {
                rng.random_range(-scale_hidden..scale_hidden)
            }));

            w_write_add.push(Array2::from_shape_fn((state_dim, hidden_size), |_| {
                Complex64::new(
                    rng.random_range(-scale_hidden..scale_hidden),
                    rng.random_range(-scale_hidden..scale_hidden),
                )
            }));

            w_write_erase.push(Array2::from_shape_fn((state_dim, hidden_size), |_| {
                rng.random_range(-scale_hidden..scale_hidden)
            }));
        }

        let hidden_state = Array1::zeros(hidden_size);

        Self {
            input_size,
            hidden_size,
            memory_config,
            w_input,
            w_hidden,
            b_hidden,
            w_read_key,
            w_write_key,
            w_write_add,
            w_write_erase,
            hidden_state,
        }
    }

    /// Update controller state
    pub fn update_state(&mut self, input: &Array1<f64>) -> QuantRS2Result<()> {
        if input.len() != self.input_size {
            return Err(QuantRS2Error::InvalidInput(
                "Input size mismatch".to_string(),
            ));
        }

        // Simple feedforward update (can be extended to LSTM)
        let mut new_hidden = self.b_hidden.clone();

        // Add input contribution
        for i in 0..self.hidden_size {
            for j in 0..self.input_size {
                new_hidden[i] += self.w_input[[i, j]] * input[j];
            }
        }

        // Add hidden state contribution
        for i in 0..self.hidden_size {
            for j in 0..self.hidden_size {
                new_hidden[i] += self.w_hidden[[i, j]] * self.hidden_state[j];
            }
        }

        // Activation (tanh)
        for i in 0..self.hidden_size {
            new_hidden[i] = new_hidden[i].tanh();
        }

        self.hidden_state = new_hidden;
        Ok(())
    }

    /// Generate read attention weights
    pub fn generate_read_weights(
        &self,
        head_idx: usize,
        memory: &QuantumMemory,
    ) -> QuantRS2Result<Array1<f64>> {
        if head_idx >= self.memory_config.num_read_heads {
            return Err(QuantRS2Error::InvalidInput(
                "Invalid read head index".to_string(),
            ));
        }

        // Generate read key from controller state
        let state_dim = 1 << self.memory_config.qubits_per_slot;
        let mut read_key = Array1::zeros(state_dim);

        for i in 0..state_dim {
            for j in 0..self.hidden_size {
                read_key[i] += self.w_read_key[head_idx][[i, j]] * self.hidden_state[j];
            }
        }

        // Compute similarity with memory slots (quantum fidelity)
        let mut similarities = Array1::zeros(memory.num_slots);
        for i in 0..memory.num_slots {
            let mem_state = memory.get_state(i)?;
            let mut fidelity = 0.0;

            for j in 0..state_dim {
                let key_complex = Complex64::new(read_key[j], 0.0);
                fidelity += (key_complex.conj() * mem_state[j]).norm_sqr();
            }

            similarities[i] = fidelity;
        }

        // Apply softmax
        let max_sim = similarities
            .iter()
            .copied()
            .fold(f64::NEG_INFINITY, f64::max);
        let mut weights = Array1::zeros(memory.num_slots);
        let mut sum = 0.0;

        for i in 0..memory.num_slots {
            weights[i] = (similarities[i] - max_sim).exp();
            sum += weights[i];
        }

        // Normalize
        for i in 0..memory.num_slots {
            weights[i] /= sum;
        }

        Ok(weights)
    }

    /// Generate write parameters
    pub fn generate_write_params(
        &self,
        head_idx: usize,
        memory: &QuantumMemory,
    ) -> QuantRS2Result<(Array1<f64>, Array1<Complex64>, Array1<f64>)> {
        if head_idx >= self.memory_config.num_write_heads {
            return Err(QuantRS2Error::InvalidInput(
                "Invalid write head index".to_string(),
            ));
        }

        let state_dim = 1 << self.memory_config.qubits_per_slot;

        // Generate write key
        let mut write_key = Array1::zeros(state_dim);
        for i in 0..state_dim {
            for j in 0..self.hidden_size {
                write_key[i] += self.w_write_key[head_idx][[i, j]] * self.hidden_state[j];
            }
        }

        // Compute attention weights (same as read)
        let mut similarities = Array1::zeros(memory.num_slots);
        for i in 0..memory.num_slots {
            let mem_state = memory.get_state(i)?;
            let mut fidelity = 0.0;

            for j in 0..state_dim {
                let key_complex = Complex64::new(write_key[j], 0.0);
                fidelity += (key_complex.conj() * mem_state[j]).norm_sqr();
            }

            similarities[i] = fidelity;
        }

        let max_sim = similarities
            .iter()
            .copied()
            .fold(f64::NEG_INFINITY, f64::max);
        let mut write_weights = Array1::zeros(memory.num_slots);
        let mut sum = 0.0;

        for i in 0..memory.num_slots {
            write_weights[i] = (similarities[i] - max_sim).exp();
            sum += write_weights[i];
        }

        for i in 0..memory.num_slots {
            write_weights[i] /= sum;
        }

        // Generate add vector (quantum state to add)
        let mut add_vector = Array1::zeros(state_dim);
        for i in 0..state_dim {
            for j in 0..self.hidden_size {
                add_vector[i] =
                    add_vector[i] + self.w_write_add[head_idx][[i, j]] * self.hidden_state[j];
            }
        }

        // Normalize add vector
        let norm: f64 = add_vector
            .iter()
            .map(|x: &Complex64| x.norm_sqr())
            .sum::<f64>()
            .sqrt();
        if norm > 1e-10 {
            for i in 0..state_dim {
                add_vector[i] = add_vector[i] / norm;
            }
        }

        // Generate erase vector
        let mut erase_vector: Array1<f64> = Array1::zeros(state_dim);
        for i in 0..state_dim {
            for j in 0..self.hidden_size {
                erase_vector[i] += self.w_write_erase[head_idx][[i, j]] * self.hidden_state[j];
            }
            // Sigmoid to [0, 1]
            erase_vector[i] = 1.0 / (1.0 + (-erase_vector[i]).exp());
        }

        Ok((write_weights, add_vector, erase_vector))
    }

    /// Reset controller state
    pub fn reset(&mut self) {
        self.hidden_state = Array1::zeros(self.hidden_size);
    }
}

/// Complete quantum memory network
#[derive(Debug, Clone)]
pub struct QuantumMemoryNetwork {
    /// Memory bank
    memory: QuantumMemory,
    /// Memory controller
    controller: QuantumMemoryController,
    /// Configuration
    config: QuantumMemoryConfig,
}

impl QuantumMemoryNetwork {
    /// Create new quantum memory network
    pub fn new(input_size: usize, config: QuantumMemoryConfig) -> Self {
        let memory = QuantumMemory::new(
            config.memory_slots,
            config.qubits_per_slot,
            config.init_strategy,
        );

        let controller = QuantumMemoryController::new(input_size, config.clone());

        Self {
            memory,
            controller,
            config,
        }
    }

    /// Process one step
    pub fn step(&mut self, input: &Array1<f64>) -> QuantRS2Result<Vec<Array1<Complex64>>> {
        // Update controller with input
        self.controller.update_state(input)?;

        // Read from memory
        let mut read_outputs = Vec::with_capacity(self.config.num_read_heads);
        let mut all_read_weights = Vec::new();

        for i in 0..self.config.num_read_heads {
            let read_weights = self.controller.generate_read_weights(i, &self.memory)?;
            let read_output = self.memory.read(&read_weights)?;
            read_outputs.push(read_output);
            all_read_weights.push(read_weights);
        }

        // Write to memory
        let mut all_write_weights = Vec::new();

        for i in 0..self.config.num_write_heads {
            let (write_weights, add_vector, erase_vector) =
                self.controller.generate_write_params(i, &self.memory)?;

            self.memory
                .write(&write_weights, &add_vector, &erase_vector)?;
            all_write_weights.push(write_weights);
        }

        // Update memory usage
        for (read_w, write_w) in all_read_weights.iter().zip(all_write_weights.iter()) {
            self.memory.update_usage(read_w, write_w);
        }

        Ok(read_outputs)
    }

    /// Reset network state
    pub fn reset(&mut self) {
        self.controller.reset();
        self.memory = QuantumMemory::new(
            self.config.memory_slots,
            self.config.qubits_per_slot,
            self.config.init_strategy,
        );
    }
}

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

    #[test]
    fn test_quantum_memory() {
        let memory = QuantumMemory::new(10, 4, MemoryInitStrategy::Zero);

        let attention = Array1::from_vec(vec![1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]);
        let read_state = memory
            .read(&attention)
            .expect("Failed to read from quantum memory");

        assert_eq!(read_state.len(), 16); // 2^4 states
    }

    #[test]
    fn test_quantum_memory_network() {
        let config = QuantumMemoryConfig {
            memory_slots: 16,
            qubits_per_slot: 3,
            controller_size: 32,
            num_read_heads: 1,
            num_write_heads: 1,
            init_strategy: MemoryInitStrategy::Zero,
        };

        let mut network = QuantumMemoryNetwork::new(10, config);

        let input = Array1::from_vec(vec![0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 0.7, 0.8, 0.9, 1.0]);
        let outputs = network
            .step(&input)
            .expect("Failed to process step in quantum memory network");

        assert_eq!(outputs.len(), 1); // One read head
        assert_eq!(outputs[0].len(), 8); // 2^3 states per slot
    }
}