quantrs2-tytan 0.1.3

High-level quantum annealing interface inspired by Tytan for the QuantRS2 framework
Documentation
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400
401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421
422
423
424
425
426
427
428
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
450
451
452
453
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
481
482
483
484
485
486
487
488
489
490
491
492
493
494
495
496
497
498
499
500
501
502
503
504
505
506
507
508
509
510
511
512
513
# QuantRS2-Tytan Performance Tuning Guide

This guide provides comprehensive strategies for optimizing the performance of QuantRS2-Tytan for various problem types and hardware configurations.

## Table of Contents

1. [Problem Formulation Optimization]#problem-formulation-optimization
2. [QUBO Compilation Strategies]#qubo-compilation-strategies
3. [Sampler Parameter Tuning]#sampler-parameter-tuning
4. [Hardware-Specific Optimizations]#hardware-specific-optimizations
5. [Memory Management]#memory-management
6. [Parallel Processing]#parallel-processing
7. [Benchmarking and Profiling]#benchmarking-and-profiling
8. [Common Performance Pitfalls]#common-performance-pitfalls

## Problem Formulation Optimization

### Variable Encoding Schemes

The choice of variable encoding significantly impacts both QUBO size and solution quality.

#### One-Hot Encoding
Best for: Discrete choices, assignment problems
```rust
// Efficient for small discrete sets
for i in 0..n_items {
    for j in 0..n_bins {
        let var = model.add_variable(&format!("x_{}_{}", i, j))?;
    }
}
```

#### Binary Encoding
Best for: Integer variables with large ranges
```rust
// Reduces variables from O(n) to O(log n)
let n_bits = (max_value as f64).log2().ceil() as usize;
for bit in 0..n_bits {
    let var = model.add_variable(&format!("x_bit_{}", bit))?;
}
```

#### Domain Wall Encoding
Best for: Ordered discrete variables
```rust
// Better for maintaining ordering constraints
for i in 0..n_levels-1 {
    let var = model.add_variable(&format!("wall_{}", i))?;
}
```

### Constraint Formulation

#### Penalty Weight Selection
```rust
// Use adaptive penalty optimization
let penalty_config = PenaltyConfig {
    penalty_function: PenaltyFunction::Adaptive {
        initial: 10.0,
        growth_rate: 1.5,
        max_penalty: 1000.0,
    },
    adaptive: true,
    violation_threshold: 0.01,
};
```

#### Constraint Aggregation
Combine similar constraints to reduce overhead:
```rust
// Instead of individual constraints
for i in items {
    model.add_constraint_eq_one(&format!("item_{}", i), vars)?;
}

// Use batch constraints when possible
model.add_constraint_batch_eq_one("items", all_vars)?;
```

## QUBO Compilation Strategies

### Sparse Matrix Optimization

Enable sparse matrix operations for large problems:
```rust
// Configure for sparse problems
let compile_config = CompileConfig {
    use_sparse: true,
    sparsity_threshold: 0.1, // Use sparse if <10% non-zero
    compression: CompressionType::CSR,
};

let compiled = model.compile_with_config(compile_config)?;
```

### Variable Ordering

Optimize variable ordering for better cache performance:
```rust
// Group related variables together
let ordering = VariableOrdering::new()
    .with_strategy(OrderingStrategy::MinimizeBandwidth)
    .with_clustering(true);

model.reorder_variables(ordering)?;
```

### Coefficient Precision

Balance precision vs performance:
```rust
// Reduce precision for faster computation
let precision_config = PrecisionConfig {
    coefficient_bits: 16,    // 16-bit coefficients
    energy_bits: 32,         // 32-bit energy calculation
    round_small_values: true,
    threshold: 1e-10,
};
```

## Sampler Parameter Tuning

### Simulated Annealing

Key parameters and tuning strategies:

```rust
// Basic parameter tuning
let sa_params = HashMap::from([
    ("initial_temp", 100.0),      // Start high for exploration
    ("final_temp", 0.001),        // End low for exploitation
    ("num_sweeps", 10000.0),      // Balance quality vs time
    ("num_reads", 100.0),         // Parallel runs
]);

// Advanced: Use parameter tuner
let tuner = ParameterTuner::new(TuningConfig {
    max_evaluations: 50,
    initial_samples: 10,
    optimization_method: OptimizationMethod::BayesianOptimization,
});

let bounds = vec![
    ParameterBounds {
        name: "initial_temp".to_string(),
        min: 1.0,
        max: 1000.0,
        scale: ParameterScale::Logarithmic,
    },
    ParameterBounds {
        name: "num_sweeps".to_string(),
        min: 1000.0,
        max: 100000.0,
        scale: ParameterScale::Logarithmic,
    },
];

let best_params = tuner.tune_sampler(sa_sampler, &qubo, bounds)?;
```

### Genetic Algorithm

Population and evolution parameters:

```rust
// Population-based optimization
let ga_params = HashMap::from([
    ("population_size", 200.0),   // Larger for diversity
    ("generations", 500.0),       // More for convergence
    ("mutation_rate", 0.1),       // Balance exploration
    ("crossover_rate", 0.8),      // High for mixing
    ("elite_size", 20.0),         // Preserve best solutions
    ("tournament_size", 5.0),     // Selection pressure
]);

// Adaptive mutation
let adaptive_ga = GASampler::new()
    .with_adaptive_mutation(0.01, 0.5)  // Min/max rates
    .with_diversity_preservation(0.1);   // Maintain 10% diversity
```

### Problem-Specific Tuning

#### TSP Problems
```rust
// TSP benefits from higher temperatures
let tsp_params = HashMap::from([
    ("initial_temp", 500.0),      // High for permutation space
    ("cooling_rate", 0.995),      // Slow cooling
    ("restart_threshold", 100),   // Restart if stuck
]);
```

#### Constraint Satisfaction
```rust
// CSP needs careful penalty balancing
let csp_params = HashMap::from([
    ("constraint_weight", 100.0),
    ("objective_weight", 1.0),
    ("violation_penalty", 1000.0),
]);
```

## Hardware-Specific Optimizations

### CPU Optimization

#### SIMD Operations
```rust
// Enable SIMD for energy calculations
let cpu_config = CpuConfig {
    use_simd: true,
    vector_width: SimdWidth::AVX2,  // or AVX512
    prefetch_distance: 64,
};
```

#### Thread Pool Configuration
```rust
// Optimize thread usage
let thread_config = ThreadConfig {
    num_threads: num_cpus::get(),
    pin_threads: true,
    chunk_size: 1000,  // Work unit size
};
```

### GPU Acceleration

#### Memory Transfer Optimization
```rust
// Minimize CPU-GPU transfers
let gpu_config = GpuConfig {
    batch_size: 10000,           // Process in batches
    use_pinned_memory: true,     // Faster transfers
    async_transfers: true,       // Overlap computation
    memory_pool_size: 1 << 30,   // 1GB pool
};
```

#### Kernel Configuration
```rust
// Optimize GPU kernels
let kernel_config = KernelConfig {
    block_size: 256,             // Threads per block
    grid_size: GridSize::Auto,   // Auto-calculate
    shared_memory: 48 * 1024,    // 48KB shared memory
    occupancy_target: 0.75,      // 75% occupancy
};
```

### Quantum Hardware

#### Embedding Optimization
```rust
// Optimize for quantum topology
let embedding_config = EmbeddingConfig {
    max_chain_length: 5,
    chain_strength_multiplier: 2.0,
    use_virtual_chains: true,
    retry_attempts: 10,
};
```

## Memory Management

### Large Problem Strategies

#### Streaming Mode
```rust
// Process large problems in chunks
let streaming_config = StreamingConfig {
    chunk_size: 1000000,         // 1M variables per chunk
    overlap_factor: 0.1,         // 10% overlap
    compression: true,           // Compress inactive chunks
};

let sampler = StreamingSampler::new(base_sampler, streaming_config);
```

#### Memory Pool Allocation
```rust
// Pre-allocate memory pools
let memory_config = MemoryConfig {
    preallocate: true,
    pool_sizes: vec![
        (1024, 10000),      // 10k small allocations
        (1024 * 1024, 100), // 100 large allocations
    ],
    gc_interval: 1000,      // Garbage collect every 1000 iterations
};
```

## Parallel Processing

### Multi-Sampler Strategies

```rust
// Run multiple samplers in parallel
let multi_config = MultiSamplerConfig {
    num_samplers: 4,
    distribution: SamplerDistribution::Heterogeneous(vec![
        ("SA", 0.5),    // 50% SA samplers
        ("GA", 0.3),    // 30% GA samplers
        ("Tabu", 0.2),  // 20% Tabu samplers
    ]),
    communication: CommunicationStrategy::AsyncBest,
};

let multi_sampler = MultiSampler::new(multi_config);
```

### Distributed Computing

```rust
// MPI-based distributed sampling
let mpi_config = MpiConfig {
    comm_interval: 100,          // Exchange every 100 iterations
    topology: Topology::Ring,    // Communication topology
    async_updates: true,         // Non-blocking communication
};

let distributed_sampler = DistributedSampler::new(base_sampler, mpi_config);
```

## Benchmarking and Profiling

### Performance Metrics Collection

```rust
// Comprehensive benchmarking
let benchmark_runner = BenchmarkRunner::new(BenchmarkConfig {
    warmup_runs: 5,
    measurement_runs: 20,
    time_limit: Duration::from_secs(300),
    collect_detailed_stats: true,
});

let metrics = benchmark_runner.run(&qubo, &sampler)?;

println!("Performance Metrics:");
println!("  Avg time: {:.3}s", metrics.avg_time.as_secs_f64());
println!("  Best energy: {:.4}", metrics.best_energy);
println!("  Solutions/sec: {:.0}", metrics.throughput);
println!("  Energy std dev: {:.4}", metrics.energy_std_dev);
```

### Profiling Tools Integration

```rust
// Enable built-in profiler
let profiler = Profiler::new()
    .with_cpu_profiling(true)
    .with_memory_profiling(true)
    .with_gpu_profiling(true);

sampler.set_profiler(profiler);

// Run and collect profile
let samples = sampler.run_qubo(&qubo, 1000)?;
let profile = sampler.get_profile()?;

// Generate flame graph
profile.generate_flamegraph("profile.svg")?;
```

## Common Performance Pitfalls

### 1. Over-constraining Problems

**Problem**: Too many constraints slow down compilation and sampling.

**Solution**:
```rust
// Aggregate constraints where possible
model.add_constraint_sum_eq("total_weight", weight_vars, target)?;

// Instead of many individual constraints
for var in weight_vars {
    model.add_constraint_eq("weight", var, fraction)?;
}
```

### 2. Poor Variable Scaling

**Problem**: Large coefficient differences cause numerical instability.

**Solution**:
```rust
// Scale variables to similar ranges
let scaler = VariableScaler::new()
    .with_method(ScalingMethod::MinMax)
    .with_range(-1.0, 1.0);

model.apply_scaling(scaler)?;
```

### 3. Inefficient Energy Calculation

**Problem**: Redundant energy calculations in inner loop.

**Solution**:
```rust
// Use incremental energy updates
let energy_calc = IncrementalEnergyCalculator::new(&qubo);

for flip in flips {
    let delta = energy_calc.delta_energy(flip);
    if delta < 0.0 {
        energy_calc.apply_flip(flip);
    }
}
```

### 4. Memory Fragmentation

**Problem**: Frequent allocations cause fragmentation.

**Solution**:
```rust
// Use object pools
let pool = ObjectPool::<Vec<f64>>::new(100);

let mut vec = pool.take();
// Use vec...
pool.return(vec);
```

### 5. Suboptimal Parallelization

**Problem**: Thread contention or false sharing.

**Solution**:
```rust
// Align data to cache lines
#[repr(align(64))]
struct AlignedData {
    value: f64,
}

// Use thread-local storage
thread_local! {
    static WORKSPACE: RefCell<Workspace> = RefCell::new(Workspace::new());
}
```

## Performance Tuning Workflow

1. **Profile First**: Always profile before optimizing
2. **Identify Bottlenecks**: Focus on the slowest parts
3. **Optimize Incrementally**: Make one change at a time
4. **Measure Impact**: Verify improvements with benchmarks
5. **Document Changes**: Keep track of what worked

### Example Workflow

```rust
// 1. Baseline measurement
let baseline = benchmark_runner.run(&qubo, &default_sampler)?;

// 2. Apply optimization
let optimized_sampler = default_sampler
    .with_simd(true)
    .with_parallel(true)
    .with_optimized_params(tuned_params);

// 3. Measure improvement
let optimized = benchmark_runner.run(&qubo, &optimized_sampler)?;

// 4. Compare results
println!("Speedup: {:.2}x", baseline.avg_time / optimized.avg_time);
println!("Quality impact: {:.2}%", 
    (optimized.best_energy - baseline.best_energy) / baseline.best_energy * 100.0);
```

## Advanced Techniques

### Custom Samplers

For maximum performance, implement custom samplers:

```rust
impl Sampler for CustomSampler {
    fn sample(&mut self, qubo: &Qubo, num_reads: usize) -> Result<Vec<Sample>> {
        // Implement problem-specific heuristics
        // Use domain knowledge for initialization
        // Apply custom local search operators
    }
}
```

### Hybrid Algorithms

Combine quantum and classical approaches:

```rust
let hybrid = HybridSampler::new()
    .with_quantum_percent(0.2)  // 20% quantum samples
    .with_classical_refiner(LocalSearchRefiner::new())
    .with_feedback_loop(true);  // Use quantum results to guide classical
```

### Machine Learning Integration

Use ML for parameter prediction:

```rust
let ml_tuner = MLParameterTuner::new()
    .with_model("parameter_predictor.onnx")
    .with_features(ProblemFeatures::extract(&qubo));

let predicted_params = ml_tuner.predict_parameters()?;
```