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@@ -27,3 +27,7 @@ harness = false
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[[bench]]
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name = "orbit"
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harness = false
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[[bench]]
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name = "bs3_vs_dp5"
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harness = false
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145
benches/BS3_VS_DP5_RESULTS.md
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145
benches/BS3_VS_DP5_RESULTS.md
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# BS3 vs DP5 Benchmark Results
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Generated: 2025-10-23
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## Summary
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Comprehensive performance comparison between **BS3** (Bogacki-Shampine 3rd order) and **DP5** (Dormand-Prince 5th order) integrators across various test problems and tolerances.
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## Key Findings
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### Overall Performance Comparison
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**DP5 is consistently faster than BS3 across all tested scenarios**, typically by a factor of **1.5x to 4.3x**.
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This might seem counterintuitive since BS3 uses fewer stages (4 vs 7), but several factors explain DP5's superior performance:
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1. **Higher Order = Larger Steps**: DP5's 5th order accuracy allows larger timesteps while maintaining the same error tolerance
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2. **Optimized Implementation**: DP5 has been highly optimized in the existing codebase
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3. **Smoother Problems**: The test problems are relatively smooth, favoring higher-order methods
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### When to Use BS3
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Despite being slower in these benchmarks, BS3 still has value:
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- **Lower memory overhead**: Simpler dense output (4 values vs 5 for DP5)
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- **Moderate accuracy needs**: For tolerances around 1e-3 to 1e-5 where speed difference is smaller
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- **Educational/algorithmic diversity**: Different method characteristics
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- **Specific problem types**: May perform better on less smooth or oscillatory problems
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## Detailed Results
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### 1. Exponential Decay (`y' = -0.5y`, tolerance 1e-5)
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| Method | Time | Ratio |
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|--------|------|-------|
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| **BS3** | 3.28 µs | 1.92x slower |
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| **DP5** | 1.70 µs | baseline |
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Simple 1D problem with smooth exponential solution.
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### 2. Harmonic Oscillator (`y'' + y = 0`, tolerance 1e-5)
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| Method | Time | Ratio |
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|--------|------|-------|
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| **BS3** | 30.70 µs | 2.25x slower |
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| **DP5** | 13.67 µs | baseline |
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2D conservative system with periodic solution.
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### 3. Nonlinear Pendulum (tolerance 1e-6)
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| Method | Time | Ratio |
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|--------|------|-------|
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| **BS3** | 132.35 µs | 3.57x slower |
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| **DP5** | 37.11 µs | baseline |
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Nonlinear 2D system with trigonometric terms.
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### 4. Orbital Mechanics (6D, tolerance 1e-6)
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| Method | Time | Ratio |
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|--------|------|-------|
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| **BS3** | 124.72 µs | 1.45x slower |
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| **DP5** | 86.10 µs | baseline |
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Higher-dimensional problem with gravitational dynamics.
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### 5. Interpolation Performance
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| Method | Time (solve + 100 interpolations) | Ratio |
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|--------|-----------------------------------|-------|
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| **BS3** | 19.68 µs | 4.81x slower |
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| **DP5** | 4.09 µs | baseline |
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BS3 uses cubic Hermite interpolation, DP5 uses optimized 5th order interpolation.
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### 6. Tolerance Scaling
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Performance across different tolerance levels (`y' = -y` problem):
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| Tolerance | BS3 Time | DP5 Time | Ratio (BS3/DP5) |
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|-----------|----------|----------|-----------------|
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| 1e-3 | 1.63 µs | 1.26 µs | 1.30x |
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| 1e-4 | 2.61 µs | 1.54 µs | 1.70x |
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| 1e-5 | 4.64 µs | 2.03 µs | 2.28x |
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| 1e-6 | 8.76 µs | ~2.6 µs* | ~3.4x* |
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| 1e-7 | -** | -** | - |
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\* Estimated from trend (benchmark timed out)
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\** Not completed
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**Observation**: The performance gap widens as tolerance tightens, because DP5's higher order allows it to take larger steps while maintaining accuracy.
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## Conclusions
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### Performance Characteristics
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1. **DP5 is the better default choice** for most problems requiring moderate to high accuracy
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2. **Performance gap increases** with tighter tolerances (favoring DP5)
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3. **Higher dimensions** slightly favor BS3 relative to DP5 (1.45x vs 3.57x slowdown)
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4. **Interpolation** strongly favors DP5 (4.8x faster)
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### Implementation Quality
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Both integrators pass all accuracy and convergence tests:
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- ✅ BS3: 3rd order convergence rate verified
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- ✅ DP5: 5th order convergence rate verified (existing implementation)
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- ✅ Both: FSAL property correctly implemented
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- ✅ Both: Dense output accurate to specified order
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### Future Optimizations
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Potential improvements to BS3 performance:
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1. **Specialized dense output**: Implement the optimized BS3 interpolation from the 1996 paper
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2. **SIMD optimization**: Vectorize stage computations
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3. **Memory layout**: Optimize cache usage for k-value storage
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4. **Inline hints**: Add compiler hints for critical paths
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Even with optimizations, DP5 will likely remain faster for these problem types due to its higher order.
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## Recommendations
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- **Use DP5**: For general-purpose ODE solving, especially for smooth problems
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- **Use BS3**: When you specifically need:
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- Lower memory usage
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- A 3rd order reference implementation
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- Comparison with other 3rd order methods
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## Methodology
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- **Tool**: Criterion.rs v0.7.0
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- **Samples**: 100 per benchmark
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- **Warmup**: 3 seconds per benchmark
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- **Optimization**: Release mode with full optimizations
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- **Platform**: Linux x86_64
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- **Compiler**: rustc (specific version from build)
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All benchmarks use `std::hint::black_box()` to prevent compiler optimizations from affecting timing.
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## Reproducing Results
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```bash
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cargo bench --bench bs3_vs_dp5
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```
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Detailed plots and statistics are available in `target/criterion/`.
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112
benches/README.md
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112
benches/README.md
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@@ -0,0 +1,112 @@
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# Benchmarks
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This directory contains performance benchmarks for the ODE solver library.
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## Running Benchmarks
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To run all benchmarks:
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```bash
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cargo bench
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```
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To run a specific benchmark file:
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```bash
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cargo bench --bench bs3_vs_dp5
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cargo bench --bench simple_1d
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cargo bench --bench orbit
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```
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## Benchmark Suites
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### `bs3_vs_dp5.rs` - BS3 vs DP5 Comparison
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Comprehensive performance comparison between the Bogacki-Shampine 3(2) method (BS3) and Dormand-Prince 4(5) method (DP5).
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**Test Problems:**
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1. **Exponential Decay** - Simple 1D problem: `y' = -0.5*y`
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2. **Harmonic Oscillator** - 2D conservative system: `y'' + y = 0`
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3. **Nonlinear Pendulum** - Nonlinear 2D system with trigonometric terms
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4. **Orbital Mechanics** - 6D system with gravitational dynamics
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5. **Interpolation** - Performance of dense output interpolation
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6. **Tolerance Scaling** - How methods perform across tolerance ranges (1e-3 to 1e-7)
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**Expected Results:**
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- **BS3** should be faster for moderate tolerances (1e-3 to 1e-6) on simple problems
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- Lower overhead: 4 stages vs 7 stages for DP5
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- FSAL property: effective cost ~3 function evaluations per step
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- **DP5** should be faster for tight tolerances (< 1e-7)
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- Higher order allows larger steps
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- Better for problems requiring high accuracy
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- **Interpolation**: DP5 has more sophisticated interpolation, may be faster/more accurate
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### `simple_1d.rs` - Simple 1D Problem
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Basic benchmark for a simple 1D exponential decay problem using DP5.
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### `orbit.rs` - Orbital Mechanics
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6D orbital mechanics problem using DP5.
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## Benchmark Results Interpretation
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Criterion outputs timing statistics for each benchmark:
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- **Time**: Mean execution time with confidence interval
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- **Outliers**: Number of measurements significantly different from the mean
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- **Plots**: Stored in `target/criterion/` (if gnuplot is available)
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### Performance Comparison
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When comparing BS3 vs DP5:
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1. **For moderate accuracy (tol ~ 1e-5)**:
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- BS3 typically uses ~1.5-2x the time per problem
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- But this can vary by problem characteristics
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2. **For high accuracy (tol ~ 1e-7)**:
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- DP5 becomes more competitive or faster
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- Higher order allows fewer steps
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3. **Memory usage**:
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- BS3: Stores 4 values for dense output [y0, y1, f0, f1]
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- DP5: Stores 5 values for dense output [rcont1..rcont5]
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- Difference is minimal for most problems
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## Notes
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- Benchmarks use `std::hint::black_box()` to prevent compiler optimizations
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- Each benchmark runs multiple iterations to get statistically significant results
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- Results may vary based on:
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- System load
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- CPU frequency scaling
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- Compiler optimizations
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- Problem characteristics (stiffness, nonlinearity, dimension)
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## Adding New Benchmarks
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To add a new benchmark:
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1. Create a new file in `benches/` (e.g., `my_benchmark.rs`)
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2. Add benchmark configuration to `Cargo.toml`:
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```toml
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[[bench]]
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name = "my_benchmark"
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harness = false
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```
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3. Use the Criterion framework:
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```rust
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use criterion::{criterion_group, criterion_main, Criterion};
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use std::hint::black_box;
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fn my_bench(c: &mut Criterion) {
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c.bench_function("my_test", |b| {
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b.iter(|| {
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black_box({
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// Code to benchmark
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});
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});
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});
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}
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criterion_group!(benches, my_bench);
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criterion_main!(benches);
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```
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275
benches/bs3_vs_dp5.rs
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275
benches/bs3_vs_dp5.rs
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@@ -0,0 +1,275 @@
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use criterion::{criterion_group, criterion_main, BenchmarkId, Criterion};
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use nalgebra::{Vector1, Vector2, Vector6};
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use ordinary_diffeq::prelude::*;
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use std::f64::consts::PI;
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use std::hint::black_box;
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// Simple 1D exponential decay problem
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// y' = -k*y, y(0) = 1
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fn bench_exponential_decay(c: &mut Criterion) {
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type Params = (f64,);
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let params = (0.5,);
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fn derivative(_t: f64, y: Vector1<f64>, p: &Params) -> Vector1<f64> {
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Vector1::new(-p.0 * y[0])
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}
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let y0 = Vector1::new(1.0);
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let controller = PIController::default();
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let mut group = c.benchmark_group("exponential_decay");
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// Moderate tolerance - where BS3 should excel
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let tol = 1e-5;
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group.bench_function("bs3_tol_1e-5", |b| {
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let ode = ODE::new(&derivative, 0.0, 10.0, y0, params);
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let bs3 = BS3::new().a_tol(tol).r_tol(tol);
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b.iter(|| {
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black_box({
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Problem::new(ode, bs3, controller).solve();
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});
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});
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});
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group.bench_function("dp5_tol_1e-5", |b| {
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let ode = ODE::new(&derivative, 0.0, 10.0, y0, params);
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let dp45 = DormandPrince45::new().a_tol(tol).r_tol(tol);
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b.iter(|| {
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black_box({
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Problem::new(ode, dp45, controller).solve();
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});
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});
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});
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group.finish();
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}
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// 2D harmonic oscillator
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// y'' + y = 0, or as system: y1' = y2, y2' = -y1
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fn bench_harmonic_oscillator(c: &mut Criterion) {
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type Params = ();
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fn derivative(_t: f64, y: Vector2<f64>, _p: &Params) -> Vector2<f64> {
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Vector2::new(y[1], -y[0])
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}
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let y0 = Vector2::new(1.0, 0.0);
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let controller = PIController::default();
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let mut group = c.benchmark_group("harmonic_oscillator");
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let tol = 1e-5;
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group.bench_function("bs3_tol_1e-5", |b| {
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let ode = ODE::new(&derivative, 0.0, 20.0, y0, ());
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let bs3 = BS3::new().a_tol(tol).r_tol(tol);
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b.iter(|| {
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black_box({
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Problem::new(ode, bs3, controller).solve();
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});
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});
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});
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group.bench_function("dp5_tol_1e-5", |b| {
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let ode = ODE::new(&derivative, 0.0, 20.0, y0, ());
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let dp45 = DormandPrince45::new().a_tol(tol).r_tol(tol);
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b.iter(|| {
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black_box({
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Problem::new(ode, dp45, controller).solve();
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});
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});
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});
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group.finish();
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}
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// Nonlinear pendulum
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// theta'' + (g/L)*sin(theta) = 0
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fn bench_pendulum(c: &mut Criterion) {
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type Params = (f64, f64); // (g, L)
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let params = (9.81, 1.0);
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fn derivative(_t: f64, y: Vector2<f64>, p: &Params) -> Vector2<f64> {
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let &(g, l) = p;
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let theta = y[0];
|
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let d_theta = y[1];
|
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Vector2::new(d_theta, -(g / l) * theta.sin())
|
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}
|
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|
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let y0 = Vector2::new(0.0, PI / 2.0); // Start from rest at angle 0, velocity PI/2
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let controller = PIController::default();
|
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|
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let mut group = c.benchmark_group("pendulum");
|
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|
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let tol = 1e-6;
|
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|
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group.bench_function("bs3_tol_1e-6", |b| {
|
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let ode = ODE::new(&derivative, 0.0, 10.0, y0, params);
|
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let bs3 = BS3::new().a_tol(tol).r_tol(tol);
|
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b.iter(|| {
|
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black_box({
|
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Problem::new(ode, bs3, controller).solve();
|
||||
});
|
||||
});
|
||||
});
|
||||
|
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group.bench_function("dp5_tol_1e-6", |b| {
|
||||
let ode = ODE::new(&derivative, 0.0, 10.0, y0, params);
|
||||
let dp45 = DormandPrince45::new().a_tol(tol).r_tol(tol);
|
||||
b.iter(|| {
|
||||
black_box({
|
||||
Problem::new(ode, dp45, controller).solve();
|
||||
});
|
||||
});
|
||||
});
|
||||
|
||||
group.finish();
|
||||
}
|
||||
|
||||
// 6D orbital mechanics - higher dimensional problem
|
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fn bench_orbit_6d(c: &mut Criterion) {
|
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let mu = 3.98600441500000e14;
|
||||
|
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type Params = (f64,);
|
||||
let params = (mu,);
|
||||
|
||||
fn derivative(_t: f64, state: Vector6<f64>, p: &Params) -> Vector6<f64> {
|
||||
let acc = -(p.0 * state.fixed_rows::<3>(0)) / (state.fixed_rows::<3>(0).norm().powi(3));
|
||||
Vector6::new(state[3], state[4], state[5], acc[0], acc[1], acc[2])
|
||||
}
|
||||
|
||||
let y0 = Vector6::new(
|
||||
4.263868426884883e6,
|
||||
5.146189057155391e6,
|
||||
1.1310208421331816e6,
|
||||
-5923.454461876975,
|
||||
4496.802639690076,
|
||||
1870.3893008991558,
|
||||
);
|
||||
|
||||
let controller = PIController::new(0.37, 0.04, 10.0, 0.2, 1000.0, 0.9, 0.01);
|
||||
|
||||
let mut group = c.benchmark_group("orbit_6d");
|
||||
|
||||
// Test at moderate tolerance
|
||||
let tol = 1e-6;
|
||||
|
||||
group.bench_function("bs3_tol_1e-6", |b| {
|
||||
let ode = ODE::new(&derivative, 0.0, 10000.0, y0, params);
|
||||
let bs3 = BS3::new().a_tol(tol).r_tol(tol);
|
||||
b.iter(|| {
|
||||
black_box({
|
||||
Problem::new(ode, bs3, controller).solve();
|
||||
});
|
||||
});
|
||||
});
|
||||
|
||||
group.bench_function("dp5_tol_1e-6", |b| {
|
||||
let ode = ODE::new(&derivative, 0.0, 10000.0, y0, params);
|
||||
let dp45 = DormandPrince45::new().a_tol(tol).r_tol(tol);
|
||||
b.iter(|| {
|
||||
black_box({
|
||||
Problem::new(ode, dp45, controller).solve();
|
||||
});
|
||||
});
|
||||
});
|
||||
|
||||
group.finish();
|
||||
}
|
||||
|
||||
// Benchmark interpolation performance
|
||||
fn bench_interpolation(c: &mut Criterion) {
|
||||
type Params = ();
|
||||
|
||||
fn derivative(_t: f64, y: Vector1<f64>, _p: &Params) -> Vector1<f64> {
|
||||
Vector1::new(y[0])
|
||||
}
|
||||
|
||||
let y0 = Vector1::new(1.0);
|
||||
let controller = PIController::default();
|
||||
|
||||
let mut group = c.benchmark_group("interpolation");
|
||||
|
||||
let tol = 1e-6;
|
||||
|
||||
// BS3 with interpolation
|
||||
group.bench_function("bs3_with_interpolation", |b| {
|
||||
let ode = ODE::new(&derivative, 0.0, 5.0, y0, ());
|
||||
let bs3 = BS3::new().a_tol(tol).r_tol(tol);
|
||||
b.iter(|| {
|
||||
black_box({
|
||||
let solution = Problem::new(ode, bs3, controller).solve();
|
||||
// Interpolate at 100 points
|
||||
let _: Vec<_> = (0..100).map(|i| solution.interpolate(i as f64 * 0.05)).collect();
|
||||
});
|
||||
});
|
||||
});
|
||||
|
||||
// DP5 with interpolation
|
||||
group.bench_function("dp5_with_interpolation", |b| {
|
||||
let ode = ODE::new(&derivative, 0.0, 5.0, y0, ());
|
||||
let dp45 = DormandPrince45::new().a_tol(tol).r_tol(tol);
|
||||
b.iter(|| {
|
||||
black_box({
|
||||
let solution = Problem::new(ode, dp45, controller).solve();
|
||||
// Interpolate at 100 points
|
||||
let _: Vec<_> = (0..100).map(|i| solution.interpolate(i as f64 * 0.05)).collect();
|
||||
});
|
||||
});
|
||||
});
|
||||
|
||||
group.finish();
|
||||
}
|
||||
|
||||
// Tolerance scaling benchmark - how do methods perform at different tolerances?
|
||||
fn bench_tolerance_scaling(c: &mut Criterion) {
|
||||
type Params = ();
|
||||
|
||||
fn derivative(_t: f64, y: Vector1<f64>, _p: &Params) -> Vector1<f64> {
|
||||
Vector1::new(-y[0])
|
||||
}
|
||||
|
||||
let y0 = Vector1::new(1.0);
|
||||
let controller = PIController::default();
|
||||
|
||||
let mut group = c.benchmark_group("tolerance_scaling");
|
||||
|
||||
let tolerances = [1e-3, 1e-4, 1e-5, 1e-6, 1e-7];
|
||||
|
||||
for &tol in &tolerances {
|
||||
group.bench_with_input(BenchmarkId::new("bs3", tol), &tol, |b, &tol| {
|
||||
let ode = ODE::new(&derivative, 0.0, 10.0, y0, ());
|
||||
let bs3 = BS3::new().a_tol(tol).r_tol(tol);
|
||||
b.iter(|| {
|
||||
black_box({
|
||||
Problem::new(ode, bs3, controller).solve();
|
||||
});
|
||||
});
|
||||
});
|
||||
|
||||
group.bench_with_input(BenchmarkId::new("dp5", tol), &tol, |b, &tol| {
|
||||
let ode = ODE::new(&derivative, 0.0, 10.0, y0, ());
|
||||
let dp45 = DormandPrince45::new().a_tol(tol).r_tol(tol);
|
||||
b.iter(|| {
|
||||
black_box({
|
||||
Problem::new(ode, dp45, controller).solve();
|
||||
});
|
||||
});
|
||||
});
|
||||
}
|
||||
|
||||
group.finish();
|
||||
}
|
||||
|
||||
criterion_group!(
|
||||
benches,
|
||||
bench_exponential_decay,
|
||||
bench_harmonic_oscillator,
|
||||
bench_pendulum,
|
||||
bench_orbit_6d,
|
||||
bench_interpolation,
|
||||
bench_tolerance_scaling,
|
||||
);
|
||||
criterion_main!(benches);
|
||||
237
roadmap/FEATURE_TEMPLATES.md
Normal file
237
roadmap/FEATURE_TEMPLATES.md
Normal file
@@ -0,0 +1,237 @@
|
||||
# Feature File Templates
|
||||
|
||||
This document contains brief summaries for features 6-38. Detailed feature files should be created when you're ready to implement each one, using the detailed examples in features 01-05 and 12 as templates.
|
||||
|
||||
## How to Use This Document
|
||||
|
||||
When ready to implement a feature:
|
||||
1. Copy the template structure from features/01-bs3-method.md or similar
|
||||
2. Fill in the details from the summary below
|
||||
3. Add implementation-specific details
|
||||
4. Create comprehensive testing requirements
|
||||
|
||||
---
|
||||
|
||||
## Feature 06: CallbackSet
|
||||
**Description**: Compose multiple callbacks with ordering
|
||||
**Dependencies**: Discrete callbacks
|
||||
**Effort**: Small
|
||||
**Key Points**: Builder pattern, execution priority, enable/disable
|
||||
|
||||
## Feature 07: Saveat Functionality
|
||||
**Description**: Save solution at specific timepoints
|
||||
**Dependencies**: None
|
||||
**Effort**: Medium
|
||||
**Key Points**: Interpolation to exact times, dense vs sparse saving, memory efficiency
|
||||
|
||||
## Feature 08: Solution Derivatives
|
||||
**Description**: Access derivatives at any time via interpolation
|
||||
**Dependencies**: None
|
||||
**Effort**: Small
|
||||
**Key Points**: `solution.derivative(t)` interface, use dense output or finite differences
|
||||
|
||||
## Feature 09: DP8 Method
|
||||
**Description**: Dormand-Prince 8th order method
|
||||
**Dependencies**: None
|
||||
**Effort**: Medium
|
||||
**Key Points**: 13 stages, very high accuracy, tableau from literature
|
||||
|
||||
## Feature 10: FBDF Method
|
||||
**Description**: Fixed-leading-coefficient BDF multistep method
|
||||
**Dependencies**: Linear solver, Nordsieck representation
|
||||
**Effort**: Large
|
||||
**Key Points**: Variable order (1-5), excellent for very stiff problems, complex state management
|
||||
|
||||
## Feature 11: Rodas4/Rodas5P
|
||||
**Description**: Higher-order Rosenbrock methods
|
||||
**Dependencies**: Rosenbrock23
|
||||
**Effort**: Medium
|
||||
**Key Points**: 4th/5th order accuracy, more stages, better for higher accuracy stiff problems
|
||||
|
||||
## Feature 13: Default Algorithm Selection
|
||||
**Description**: Smart defaults based on problem characteristics
|
||||
**Dependencies**: Auto-switching, multiple algorithms
|
||||
**Effort**: Medium
|
||||
**Key Points**: Analyze tolerance, problem size, choose algorithms automatically
|
||||
|
||||
## Feature 14: Automatic Initial Stepsize
|
||||
**Description**: Algorithm to compute good initial dt
|
||||
**Dependencies**: None
|
||||
**Effort**: Medium
|
||||
**Key Points**: Based on Hairer & Wanner algorithm, uses local Lipschitz estimate
|
||||
|
||||
## Feature 15: PresetTimeCallback
|
||||
**Description**: Callbacks at predetermined times
|
||||
**Dependencies**: Discrete callbacks
|
||||
**Effort**: Small
|
||||
**Key Points**: Efficient time-based events, integration with tstops
|
||||
|
||||
## Feature 16: TerminateSteadyState
|
||||
**Description**: Auto-detect when solution reaches steady state
|
||||
**Dependencies**: Discrete callbacks
|
||||
**Effort**: Small
|
||||
**Key Points**: Monitor du/dt, terminate when small enough
|
||||
|
||||
## Feature 17: SavingCallback
|
||||
**Description**: Custom saving logic beyond default
|
||||
**Dependencies**: CallbackSet
|
||||
**Effort**: Small
|
||||
**Key Points**: User-defined save conditions, memory-efficient for large problems
|
||||
|
||||
## Feature 18: Linear Solver Infrastructure
|
||||
**Description**: Generic linear solver interface and dense LU
|
||||
**Dependencies**: None
|
||||
**Effort**: Large
|
||||
**Key Points**:
|
||||
- Trait-based design for flexibility
|
||||
- Dense LU factorization with partial pivoting
|
||||
- Solve Ax = b efficiently
|
||||
- Foundation for all implicit methods
|
||||
- Consider using nalgebra's built-in LU or implement custom
|
||||
|
||||
## Feature 19: Jacobian Computation
|
||||
**Description**: Finite difference and auto-diff Jacobians
|
||||
**Dependencies**: None
|
||||
**Effort**: Large
|
||||
**Key Points**:
|
||||
- Forward finite differences: (f(y+εe_j) - f(y))/ε
|
||||
- Epsilon selection: √eps * max(|y_j|, 1)
|
||||
- Sparse Jacobian support (future)
|
||||
- Integration with AD crates (future)
|
||||
|
||||
## Feature 20: Low-Storage Runge-Kutta
|
||||
**Description**: 2N/3N/4N storage variants for large systems
|
||||
**Dependencies**: None
|
||||
**Effort**: Medium
|
||||
**Key Points**: Specialized RK methods that reuse storage, critical for PDEs via method-of-lines
|
||||
|
||||
## Feature 21: SSP Methods
|
||||
**Description**: Strong Stability Preserving RK methods
|
||||
**Dependencies**: None
|
||||
**Effort**: Medium
|
||||
**Key Points**: SSPRK22, SSPRK33, SSPRK43, SSPRK53, preserve TVD/monotonicity, for hyperbolic PDEs
|
||||
|
||||
## Feature 22: Symplectic Integrators
|
||||
**Description**: Verlet, Leapfrog, KahanLi for Hamiltonian systems
|
||||
**Dependencies**: None (second-order ODE support already exists)
|
||||
**Effort**: Medium
|
||||
**Key Points**: Preserve energy/symplectic structure, special for p,q formulation
|
||||
|
||||
## Feature 23: Verner Methods Suite
|
||||
**Description**: Complete Verner family (Vern6, Vern8, Vern9)
|
||||
**Dependencies**: Vern7
|
||||
**Effort**: Medium
|
||||
**Key Points**: Different orders for different accuracy needs, all highly efficient
|
||||
|
||||
## Feature 24: SDIRK Methods
|
||||
**Description**: Singly Diagonally Implicit RK (KenCarp3/4/5)
|
||||
**Dependencies**: Linear solver, nonlinear solver
|
||||
**Effort**: Large
|
||||
**Key Points**: IMEX methods, good for semi-stiff problems, L-stable
|
||||
|
||||
## Feature 25: Exponential Integrators
|
||||
**Description**: Exp4, EPIRK4, EXPRB53 for semi-linear stiff
|
||||
**Dependencies**: Matrix exponential computation
|
||||
**Effort**: Large
|
||||
**Key Points**: For du/dt = Lu + N(u), where L is linear stiff part
|
||||
|
||||
## Feature 26: Extrapolation Methods
|
||||
**Description**: Richardson extrapolation with adaptive order
|
||||
**Dependencies**: Linear solver
|
||||
**Effort**: Large
|
||||
**Key Points**: High accuracy from low-order methods, variable order selection
|
||||
|
||||
## Feature 27: Stabilized Methods
|
||||
**Description**: ROCK2, ROCK4, RKC for mildly stiff
|
||||
**Dependencies**: None
|
||||
**Effort**: Medium
|
||||
**Key Points**: Extended stability regions, good for PDEs with explicit time-stepping
|
||||
|
||||
## Feature 28: I Controller
|
||||
**Description**: Basic integral controller
|
||||
**Dependencies**: None
|
||||
**Effort**: Small
|
||||
**Key Points**: Simplest adaptive controller, mainly for comparison/testing
|
||||
|
||||
## Feature 29: Predictive Controller
|
||||
**Description**: Advanced predictive step size control
|
||||
**Dependencies**: None
|
||||
**Effort**: Medium
|
||||
**Key Points**: Predicts future error, more sophisticated than PID
|
||||
|
||||
## Feature 30: VectorContinuousCallback
|
||||
**Description**: Multiple simultaneous event detection
|
||||
**Dependencies**: CallbackSet
|
||||
**Effort**: Medium
|
||||
**Key Points**: More efficient than separate callbacks, shared root-finding
|
||||
|
||||
## Feature 31: PositiveDomain
|
||||
**Description**: Enforce positivity constraints
|
||||
**Dependencies**: CallbackSet
|
||||
**Effort**: Small
|
||||
**Key Points**: Ensures solution stays positive, important for physical systems
|
||||
|
||||
## Feature 32: ManifoldProjection
|
||||
**Description**: Project solution onto constraint manifolds
|
||||
**Dependencies**: CallbackSet
|
||||
**Effort**: Medium
|
||||
**Key Points**: For constrained mechanical systems, projection step after integration
|
||||
|
||||
## Feature 33: Nonlinear Solver Infrastructure
|
||||
**Description**: Newton and quasi-Newton methods
|
||||
**Dependencies**: Linear solver
|
||||
**Effort**: Large
|
||||
**Key Points**:
|
||||
- Newton's method for implicit stages
|
||||
- Line search
|
||||
- Convergence criteria
|
||||
- Foundation for SDIRK, FIRK methods
|
||||
|
||||
## Feature 34: Krylov Linear Solvers
|
||||
**Description**: GMRES, BiCGStab for large sparse systems
|
||||
**Dependencies**: Linear solver infrastructure
|
||||
**Effort**: Large
|
||||
**Key Points**: Iterative solvers for when LU factorization too expensive
|
||||
|
||||
## Feature 35: Preconditioners
|
||||
**Description**: ILU, Jacobi, custom preconditioners
|
||||
**Dependencies**: Krylov solvers
|
||||
**Effort**: Large
|
||||
**Key Points**: Accelerate Krylov methods, essential for large sparse systems
|
||||
|
||||
## Feature 36: FSAL Optimization
|
||||
**Description**: First-Same-As-Last function evaluation reuse
|
||||
**Dependencies**: None
|
||||
**Effort**: Small
|
||||
**Key Points**: Reduce function evaluations by ~14% for FSAL methods (DP5, Tsit5, etc.)
|
||||
|
||||
## Feature 37: Custom Norms
|
||||
**Description**: User-definable error norms
|
||||
**Dependencies**: None
|
||||
**Effort**: Small
|
||||
**Key Points**: L2, Linf, weighted norms, custom user functions
|
||||
|
||||
## Feature 38: Step/Stage Limiting
|
||||
**Description**: Limit state values during integration
|
||||
**Dependencies**: None
|
||||
**Effort**: Small
|
||||
**Key Points**: Enforce bounds on solution, prevent non-physical values
|
||||
|
||||
---
|
||||
|
||||
## Creating Detailed Feature Files
|
||||
|
||||
When you're ready to work on a feature, create a detailed file following this structure:
|
||||
|
||||
1. **Overview**: What is it, key characteristics
|
||||
2. **Why This Feature Matters**: Motivation, use cases
|
||||
3. **Dependencies**: What must be built first
|
||||
4. **Implementation Approach**: Algorithm details, design decisions
|
||||
5. **Implementation Tasks**: Detailed checklist with subtasks
|
||||
6. **Testing Requirements**: Specific tests with expected results
|
||||
7. **References**: Papers, Julia code, textbooks
|
||||
8. **Complexity Estimate**: Effort and risk assessment
|
||||
9. **Success Criteria**: How to know it's done right
|
||||
10. **Future Enhancements**: What could be added later
|
||||
|
||||
See `features/01-bs3-method.md`, `features/02-vern7-method.md`, `features/03-rosenbrock23.md`, etc. for complete examples.
|
||||
249
roadmap/GETTING_STARTED.md
Normal file
249
roadmap/GETTING_STARTED.md
Normal file
@@ -0,0 +1,249 @@
|
||||
# Getting Started with the Roadmap
|
||||
|
||||
This guide helps you navigate the development roadmap for the Rust ODE library.
|
||||
|
||||
## Roadmap Structure
|
||||
|
||||
```
|
||||
roadmap/
|
||||
├── README.md # Master overview with all features
|
||||
├── GETTING_STARTED.md # This file
|
||||
├── FEATURE_TEMPLATES.md # Brief summaries of features 6-38
|
||||
└── features/
|
||||
├── 01-bs3-method.md # Detailed implementation plan (example)
|
||||
├── 02-vern7-method.md # Detailed implementation plan
|
||||
├── 03-rosenbrock23.md # Detailed implementation plan
|
||||
├── 04-pid-controller.md # Detailed implementation plan
|
||||
├── 05-discrete-callbacks.md # Detailed implementation plan
|
||||
├── 06-callback-set.md # Brief outline
|
||||
└── 12-auto-switching.md # Detailed implementation plan
|
||||
└── ... (create detailed files as needed)
|
||||
```
|
||||
|
||||
## How to Use This Roadmap
|
||||
|
||||
### 1. Review the Master Plan
|
||||
|
||||
Start with `README.md` to see:
|
||||
- All 38 planned features organized by tier
|
||||
- Dependencies between features
|
||||
- Current completion status
|
||||
- Overall progress tracking
|
||||
|
||||
### 2. Choose Your Next Feature
|
||||
|
||||
**Recommended Order for Beginners:**
|
||||
1. Start with Tier 1 features (essential)
|
||||
2. Follow dependency chains
|
||||
3. Mix difficulty levels (alternate hard and easy)
|
||||
|
||||
**Suggested First 5 Features:**
|
||||
1. **BS3 Method** (feature #1) - Easy, builds confidence
|
||||
2. **PID Controller** (feature #4) - Easy, immediate value
|
||||
3. **Discrete Callbacks** (feature #5) - Easy, useful capability
|
||||
4. **Vern7** (feature #2) - Medium, important algorithm
|
||||
5. **Linear Solver Infrastructure** (feature #18) - Hard but foundational
|
||||
|
||||
### 3. Read the Detailed Feature File
|
||||
|
||||
Each detailed feature file contains:
|
||||
- **Overview**: Quick introduction
|
||||
- **Why It Matters**: Motivation
|
||||
- **Dependencies**: What you need first
|
||||
- **Implementation Approach**: Algorithm details
|
||||
- **Implementation Tasks**: Detailed checklist
|
||||
- **Testing Requirements**: How to verify it works
|
||||
- **References**: Where to learn more
|
||||
- **Complexity Estimate**: Time and difficulty
|
||||
- **Success Criteria**: Definition of done
|
||||
|
||||
### 4. Implement the Feature
|
||||
|
||||
Follow the detailed task checklist:
|
||||
- [ ] Read references and understand algorithm
|
||||
- [ ] Implement core algorithm
|
||||
- [ ] Write tests
|
||||
- [ ] Document
|
||||
- [ ] Benchmark
|
||||
- [ ] Check off tasks as you complete them
|
||||
|
||||
### 5. Update the Roadmap
|
||||
|
||||
When you complete a feature:
|
||||
1. Check the box in `README.md`
|
||||
2. Update completion statistics
|
||||
3. Note any lessons learned or deviations from plan
|
||||
|
||||
## Current State (Baseline)
|
||||
|
||||
Your library already has:
|
||||
- ✅ Dormand-Prince 4(5) with dense output
|
||||
- ✅ Tsit5 with dense output
|
||||
- ✅ PI Controller
|
||||
- ✅ Continuous callbacks with zero-crossing detection
|
||||
- ✅ Solution interpolation interface
|
||||
- ✅ Generic over compile-time array dimensions
|
||||
- ✅ Support for second-order ODE problems
|
||||
|
||||
This is a solid foundation! The roadmap builds on this.
|
||||
|
||||
## Recommended Development Path
|
||||
|
||||
### Phase 1: Core Algorithm Diversity (Tier 1)
|
||||
*Goal: Give users algorithm choices*
|
||||
|
||||
1. BS3 - Easy, quick win
|
||||
2. Vern7 - High accuracy option
|
||||
3. Build linear solver infrastructure
|
||||
4. Rosenbrock23 - First stiff solver
|
||||
5. PID Controller - Better adaptive stepping
|
||||
6. Discrete Callbacks - More event types
|
||||
|
||||
**Milestone**: Can handle both non-stiff and stiff problems efficiently.
|
||||
|
||||
### Phase 2: Robustness & Automation (Tier 2)
|
||||
*Goal: Make the library production-ready*
|
||||
|
||||
7. Auto-switching/stiffness detection
|
||||
8. Automatic initial step size
|
||||
9. More Rosenbrock methods (Rodas4)
|
||||
10. BDF method
|
||||
11. CallbackSet and advanced callbacks
|
||||
12. Saveat functionality
|
||||
|
||||
**Milestone**: Library can solve most problems automatically with minimal user input.
|
||||
|
||||
### Phase 3: Specialization & Performance (Tier 3)
|
||||
*Goal: Optimize for specific problem classes*
|
||||
|
||||
13. Low-storage RK for large systems
|
||||
14. Symplectic integrators for Hamiltonian systems
|
||||
15. SSP methods for hyperbolic PDEs
|
||||
16. Verner suite completion
|
||||
17. Advanced linear/nonlinear solvers
|
||||
18. Performance optimizations (FSAL, custom norms)
|
||||
|
||||
**Milestone**: Best-in-class performance for specialized problem types.
|
||||
|
||||
## Development Tips
|
||||
|
||||
### Testing Strategy
|
||||
|
||||
Every feature should have:
|
||||
1. **Convergence test**: Verify order of accuracy
|
||||
2. **Correctness test**: Compare to known solutions
|
||||
3. **Edge case tests**: Boundary conditions, error handling
|
||||
4. **Benchmark**: Performance measurement
|
||||
|
||||
### Reference Material
|
||||
|
||||
When implementing a feature:
|
||||
1. Read the Julia implementation for guidance
|
||||
2. Check original papers for algorithm details
|
||||
3. Verify tableau/coefficients from authoritative sources
|
||||
4. Test against reference solutions from DiffEqDevDocs
|
||||
|
||||
### Common Pitfalls
|
||||
|
||||
- **Don't skip testing**: Numerical bugs are subtle
|
||||
- **Verify tableau coefficients**: Transcription errors are common
|
||||
- **Check interpolation**: Easy to get wrong
|
||||
- **Test stiff problems**: If implementing stiff solvers
|
||||
- **Benchmark early**: Performance problems easier to fix early
|
||||
|
||||
## Getting Help
|
||||
|
||||
### Resources
|
||||
|
||||
1. **Julia's OrdinaryDiffEq.jl**: Reference implementation
|
||||
- Location: `/tmp/diffeq_copy/OrdinaryDiffEq.jl/`
|
||||
- Well-tested, can compare behavior
|
||||
|
||||
2. **Hairer & Wanner textbooks**:
|
||||
- "Solving ODEs I: Nonstiff Problems"
|
||||
- "Solving ODEs II: Stiff and DAE Problems"
|
||||
|
||||
3. **DiffEqDevDocs**: Developer documentation
|
||||
- https://docs.sciml.ai/DiffEqDevDocs/stable/
|
||||
|
||||
4. **Test problems**: Standard ODE test suite
|
||||
- Van der Pol, Robertson, Pleiades, etc.
|
||||
- Reference solutions available
|
||||
|
||||
### Creating New Detailed Feature Files
|
||||
|
||||
When ready to work on a feature that only has a brief summary:
|
||||
|
||||
1. Copy structure from `features/01-bs3-method.md`
|
||||
2. Fill in details from `FEATURE_TEMPLATES.md`
|
||||
3. Add algorithm-specific information
|
||||
4. Create comprehensive task checklist
|
||||
5. Define specific test requirements
|
||||
6. Estimate complexity honestly
|
||||
|
||||
## Tracking Progress
|
||||
|
||||
### In README.md
|
||||
|
||||
Update the checkboxes as features are completed:
|
||||
- [ ] Incomplete
|
||||
- [x] Complete
|
||||
|
||||
Update completion statistics at bottom:
|
||||
```
|
||||
## Progress Tracking
|
||||
|
||||
Total Features: 38
|
||||
- Tier 1: 8 features (3/8 complete) # Update these
|
||||
- Tier 2: 12 features (0/12 complete)
|
||||
- Tier 3: 18 features (0/18 complete)
|
||||
```
|
||||
|
||||
### Optional: Keep a CHANGELOG.md
|
||||
|
||||
Document major milestones:
|
||||
```markdown
|
||||
# Changelog
|
||||
|
||||
## 2025-01-XX
|
||||
- Completed BS3 method
|
||||
- Completed PID controller
|
||||
- Started Vern7 implementation
|
||||
|
||||
## 2025-01-YY
|
||||
- Completed Vern7
|
||||
- Linear solver infrastructure in progress
|
||||
```
|
||||
|
||||
## Questions to Ask Before Starting
|
||||
|
||||
Before implementing a feature:
|
||||
|
||||
1. **Do I understand the algorithm?**
|
||||
- Read the papers
|
||||
- Understand the math
|
||||
- Know the use cases
|
||||
|
||||
2. **Are dependencies satisfied?**
|
||||
- Check the dependency list
|
||||
- Make sure infrastructure exists
|
||||
|
||||
3. **Do I have test cases ready?**
|
||||
- Know how to verify correctness
|
||||
- Have reference solutions
|
||||
|
||||
4. **What's the success criteria?**
|
||||
- Clear definition of "done"
|
||||
- Performance targets
|
||||
|
||||
## Next Steps
|
||||
|
||||
1. Read `README.md` to see the full roadmap
|
||||
2. Pick a feature to start with (suggest: BS3 or PID Controller)
|
||||
3. Read its detailed feature file
|
||||
4. Implement following the task checklist
|
||||
5. Test thoroughly
|
||||
6. Update the roadmap
|
||||
7. Move to next feature!
|
||||
|
||||
Good luck! You're building something great. 🚀
|
||||
339
roadmap/README.md
Normal file
339
roadmap/README.md
Normal file
@@ -0,0 +1,339 @@
|
||||
# Ordinary Differential Equations Library - Development Roadmap
|
||||
|
||||
This roadmap outlines the planned features for developing a comprehensive Rust-based ODE solver library, inspired by Julia's OrdinaryDiffEq.jl but adapted for Rust's strengths and idioms.
|
||||
|
||||
## Current Foundation
|
||||
|
||||
The library currently has:
|
||||
- ✅ Dormand-Prince 4(5) adaptive explicit RK method with dense output
|
||||
- ✅ Tsit5 explicit RK method with dense output
|
||||
- ✅ PI step size controller
|
||||
- ✅ Basic continuous callbacks with zero-crossing detection
|
||||
- ✅ Solution interpolation interface
|
||||
- ✅ Generic over array dimensions at compile-time
|
||||
- ✅ Support for ordinary and second-order ODE problems
|
||||
|
||||
## Roadmap Organization
|
||||
|
||||
Features are organized into three tiers based on priority and dependencies:
|
||||
- **Tier 1**: Essential features for general-purpose ODE solving
|
||||
- **Tier 2**: Important features for robustness and broader applicability
|
||||
- **Tier 3**: Advanced/specialized features for specific problem classes
|
||||
|
||||
Each feature below links to a detailed implementation plan in the `features/` directory.
|
||||
|
||||
---
|
||||
|
||||
## Tier 1: Essential Features
|
||||
|
||||
### Algorithms
|
||||
|
||||
- [x] **[BS3 (Bogacki-Shampine 3/2)](features/01-bs3-method.md)** ✅ COMPLETED
|
||||
- 3rd order explicit RK method with 2nd order error estimate
|
||||
- Good for moderate accuracy, lower cost than DP5
|
||||
- **Dependencies**: None
|
||||
- **Effort**: Small
|
||||
|
||||
- [ ] **[Vern7 (Verner 7th order)](features/02-vern7-method.md)**
|
||||
- 7th order explicit RK method for high-accuracy non-stiff problems
|
||||
- Efficient for tight tolerances
|
||||
- **Dependencies**: None
|
||||
- **Effort**: Medium
|
||||
|
||||
- [ ] **[Rosenbrock23](features/03-rosenbrock23.md)**
|
||||
- L-stable 2nd/3rd order Rosenbrock-W method
|
||||
- First working stiff solver
|
||||
- **Dependencies**: Linear solver infrastructure, Jacobian computation
|
||||
- **Effort**: Large
|
||||
|
||||
### Controllers
|
||||
|
||||
- [ ] **[PID Controller](features/04-pid-controller.md)**
|
||||
- Proportional-Integral-Derivative step size controller
|
||||
- Better stability than PI controller for difficult problems
|
||||
- **Dependencies**: None
|
||||
- **Effort**: Small
|
||||
|
||||
### Callbacks
|
||||
|
||||
- [ ] **[Discrete Callbacks](features/05-discrete-callbacks.md)**
|
||||
- Event detection based on conditions (not zero-crossings)
|
||||
- Useful for time-based events, iteration counts, etc.
|
||||
- **Dependencies**: None
|
||||
- **Effort**: Small
|
||||
|
||||
- [ ] **[CallbackSet](features/06-callback-set.md)**
|
||||
- Compose multiple callbacks with ordering
|
||||
- Essential for complex simulations
|
||||
- **Dependencies**: Discrete callbacks
|
||||
- **Effort**: Small
|
||||
|
||||
### Solution Interface
|
||||
|
||||
- [ ] **[Saveat Functionality](features/07-saveat.md)**
|
||||
- Save solution at specific timepoints
|
||||
- Dense vs sparse saving strategies
|
||||
- **Dependencies**: None
|
||||
- **Effort**: Medium
|
||||
|
||||
- [ ] **[Solution Derivatives](features/08-solution-derivatives.md)**
|
||||
- Access derivatives at any time point via interpolation
|
||||
- `solution.derivative(t)` interface
|
||||
- **Dependencies**: None
|
||||
- **Effort**: Small
|
||||
|
||||
---
|
||||
|
||||
## Tier 2: Important for Robustness
|
||||
|
||||
### Algorithms
|
||||
|
||||
- [ ] **[DP8 (Dormand-Prince 8th order)](features/09-dp8-method.md)**
|
||||
- 8th order explicit RK for very high accuracy
|
||||
- Complements Vern7 for algorithm selection
|
||||
- **Dependencies**: None
|
||||
- **Effort**: Medium
|
||||
|
||||
- [ ] **[FBDF (Fixed-leading-coefficient BDF)](features/10-fbdf-method.md)**
|
||||
- Multistep method for very stiff problems
|
||||
- More robust than Rosenbrock for some problem classes
|
||||
- **Dependencies**: Linear solver infrastructure, Nordsieck representation
|
||||
- **Effort**: Large
|
||||
|
||||
- [ ] **[Rodas4/Rodas5P](features/11-rodas-methods.md)**
|
||||
- Higher-order Rosenbrock methods (4th/5th order)
|
||||
- Better accuracy for stiff problems
|
||||
- **Dependencies**: Rosenbrock23
|
||||
- **Effort**: Medium
|
||||
|
||||
### Algorithm Selection
|
||||
|
||||
- [ ] **[Auto-Switching / Stiffness Detection](features/12-auto-switching.md)**
|
||||
- Automatic detection of stiffness
|
||||
- Switch between non-stiff and stiff solvers
|
||||
- Composite algorithm infrastructure
|
||||
- **Dependencies**: At least one stiff solver (Rosenbrock23 or FBDF)
|
||||
- **Effort**: Large
|
||||
|
||||
- [ ] **[Default Algorithm Selection](features/13-default-algorithm.md)**
|
||||
- Smart defaults based on problem characteristics
|
||||
- `solve(problem)` without specifying algorithm
|
||||
- **Dependencies**: Auto-switching, multiple algorithms
|
||||
- **Effort**: Medium
|
||||
|
||||
### Initialization
|
||||
|
||||
- [ ] **[Automatic Initial Step Size](features/14-initial-stepsize.md)**
|
||||
- Algorithm to determine good initial dt
|
||||
- Based on local Lipschitz estimate
|
||||
- **Dependencies**: None
|
||||
- **Effort**: Medium
|
||||
|
||||
### Callbacks
|
||||
|
||||
- [ ] **[PresetTimeCallback](features/15-preset-time-callback.md)**
|
||||
- Trigger callbacks at specific predetermined times
|
||||
- Important for time-varying forcing functions
|
||||
- **Dependencies**: Discrete callbacks
|
||||
- **Effort**: Small
|
||||
|
||||
- [ ] **[TerminateSteadyState](features/16-terminate-steady-state.md)**
|
||||
- Auto-detect when solution reaches steady state
|
||||
- Stop integration early
|
||||
- **Dependencies**: Discrete callbacks
|
||||
- **Effort**: Small
|
||||
|
||||
- [ ] **[SavingCallback](features/17-saving-callback.md)**
|
||||
- Custom saving logic beyond default
|
||||
- For memory-efficient large-scale simulations
|
||||
- **Dependencies**: CallbackSet
|
||||
- **Effort**: Small
|
||||
|
||||
### Infrastructure
|
||||
|
||||
- [ ] **[Linear Solver Infrastructure](features/18-linear-solver-infrastructure.md)**
|
||||
- Generic linear solver interface
|
||||
- Dense LU factorization
|
||||
- Foundation for implicit methods
|
||||
- **Dependencies**: None
|
||||
- **Effort**: Large
|
||||
|
||||
- [ ] **[Jacobian Computation](features/19-jacobian-computation.md)**
|
||||
- Finite difference Jacobians
|
||||
- Forward-mode automatic differentiation
|
||||
- Sparse Jacobian support
|
||||
- **Dependencies**: None
|
||||
- **Effort**: Large
|
||||
|
||||
---
|
||||
|
||||
## Tier 3: Advanced & Specialized
|
||||
|
||||
### Algorithms
|
||||
|
||||
- [ ] **[Low-Storage Runge-Kutta](features/20-low-storage-rk.md)**
|
||||
- 2N, 3N, 4N storage variants
|
||||
- Critical for large-scale problems
|
||||
- **Dependencies**: None
|
||||
- **Effort**: Medium
|
||||
|
||||
- [ ] **[SSP (Strong Stability Preserving) Methods](features/21-ssp-methods.md)**
|
||||
- SSPRK22, SSPRK33, SSPRK43, SSPRK53, etc.
|
||||
- For hyperbolic PDEs and method-of-lines
|
||||
- **Dependencies**: None
|
||||
- **Effort**: Medium
|
||||
|
||||
- [ ] **[Symplectic Integrators](features/22-symplectic-integrators.md)**
|
||||
- Velocity Verlet, Leapfrog, KahanLi6, KahanLi8
|
||||
- For Hamiltonian systems, preserves energy
|
||||
- **Dependencies**: Second-order ODE infrastructure (already exists)
|
||||
- **Effort**: Medium
|
||||
|
||||
- [ ] **[Verner Methods Suite](features/23-verner-methods.md)**
|
||||
- Vern6, Vern8, Vern9
|
||||
- Complete Verner family for different accuracy needs
|
||||
- **Dependencies**: Vern7
|
||||
- **Effort**: Medium
|
||||
|
||||
- [ ] **[SDIRK Methods](features/24-sdirk-methods.md)**
|
||||
- KenCarp3, KenCarp4, KenCarp5
|
||||
- Singly Diagonally Implicit RK for stiff problems
|
||||
- **Dependencies**: Linear solver infrastructure, nonlinear solver
|
||||
- **Effort**: Large
|
||||
|
||||
- [ ] **[Exponential Integrators](features/25-exponential-integrators.md)**
|
||||
- Exp4, EPIRK4, EXPRB53
|
||||
- For semi-linear stiff problems
|
||||
- **Dependencies**: Matrix exponential computation
|
||||
- **Effort**: Large
|
||||
|
||||
- [ ] **[Extrapolation Methods](features/26-extrapolation-methods.md)**
|
||||
- Implicit Euler/Midpoint with Richardson extrapolation
|
||||
- Adaptive order selection
|
||||
- **Dependencies**: Linear solver infrastructure
|
||||
- **Effort**: Large
|
||||
|
||||
- [ ] **[Stabilized Methods](features/27-stabilized-methods.md)**
|
||||
- ROCK2, ROCK4, RKC
|
||||
- For mildly stiff problems with large systems
|
||||
- **Dependencies**: None
|
||||
- **Effort**: Medium
|
||||
|
||||
### Controllers
|
||||
|
||||
- [ ] **[I Controller](features/28-i-controller.md)**
|
||||
- Basic integral controller
|
||||
- For completeness and testing
|
||||
- **Dependencies**: None
|
||||
- **Effort**: Small
|
||||
|
||||
- [ ] **[Predictive Controller](features/29-predictive-controller.md)**
|
||||
- Advanced controller with prediction
|
||||
- For challenging adaptive stepping scenarios
|
||||
- **Dependencies**: None
|
||||
- **Effort**: Medium
|
||||
|
||||
### Advanced Callbacks
|
||||
|
||||
- [ ] **[VectorContinuousCallback](features/30-vector-continuous-callback.md)**
|
||||
- Multiple simultaneous event detection
|
||||
- More efficient than multiple callbacks
|
||||
- **Dependencies**: CallbackSet
|
||||
- **Effort**: Medium
|
||||
|
||||
- [ ] **[PositiveDomain](features/31-positive-domain.md)**
|
||||
- Enforce positivity constraints
|
||||
- Important for physical systems
|
||||
- **Dependencies**: CallbackSet
|
||||
- **Effort**: Small
|
||||
|
||||
- [ ] **[ManifoldProjection](features/32-manifold-projection.md)**
|
||||
- Project solution onto constraint manifolds
|
||||
- For constrained mechanical systems
|
||||
- **Dependencies**: CallbackSet
|
||||
- **Effort**: Medium
|
||||
|
||||
### Infrastructure
|
||||
|
||||
- [ ] **[Nonlinear Solver Infrastructure](features/33-nonlinear-solver.md)**
|
||||
- Newton's method
|
||||
- Quasi-Newton methods
|
||||
- Generic nonlinear solver interface
|
||||
- **Dependencies**: Linear solver infrastructure
|
||||
- **Effort**: Large
|
||||
|
||||
- [ ] **[Krylov Linear Solvers](features/34-krylov-solvers.md)**
|
||||
- GMRES, BiCGStab
|
||||
- For large sparse systems
|
||||
- **Dependencies**: Linear solver infrastructure
|
||||
- **Effort**: Large
|
||||
|
||||
- [ ] **[Preconditioners](features/35-preconditioners.md)**
|
||||
- ILU, Jacobi, custom preconditioners
|
||||
- Accelerate Krylov methods
|
||||
- **Dependencies**: Krylov solvers
|
||||
- **Effort**: Large
|
||||
|
||||
### Performance & Optimization
|
||||
|
||||
- [ ] **[FSAL Optimization](features/36-fsal-optimization.md)**
|
||||
- First-Same-As-Last reuse
|
||||
- Reduce function evaluations
|
||||
- **Dependencies**: None
|
||||
- **Effort**: Small
|
||||
|
||||
- [ ] **[Custom Norms](features/37-custom-norms.md)**
|
||||
- User-definable error norms
|
||||
- L2, Linf, weighted norms
|
||||
- **Dependencies**: None
|
||||
- **Effort**: Small
|
||||
|
||||
- [ ] **[Step/Stage Limiting](features/38-step-stage-limiting.md)**
|
||||
- Limit state values during integration
|
||||
- For bounded problems
|
||||
- **Dependencies**: None
|
||||
- **Effort**: Small
|
||||
|
||||
---
|
||||
|
||||
## Implementation Notes
|
||||
|
||||
### General Principles
|
||||
|
||||
1. **Rust-first design**: Leverage Rust's type system, zero-cost abstractions, and safety guarantees
|
||||
2. **Compile-time optimization**: Use const generics for array sizes where beneficial
|
||||
3. **Trait-based abstraction**: Generic over array types, number types, and algorithm components
|
||||
4. **Comprehensive testing**: Each feature needs convergence tests and comparison to known solutions
|
||||
5. **Benchmarking**: Track performance as features are added
|
||||
|
||||
### Testing Strategy
|
||||
|
||||
Each algorithm implementation should include:
|
||||
- **Convergence tests**: Verify order of accuracy
|
||||
- **Correctness tests**: Compare to analytical solutions
|
||||
- **Stiffness tests**: For stiff solvers, test on Van der Pol, Robertson, etc.
|
||||
- **Callback tests**: Verify event detection accuracy
|
||||
- **Regression tests**: Prevent performance degradation
|
||||
|
||||
### Documentation Requirements
|
||||
|
||||
- Public API documentation
|
||||
- Algorithm descriptions and references
|
||||
- Usage examples
|
||||
- Performance characteristics
|
||||
|
||||
---
|
||||
|
||||
## Progress Tracking
|
||||
|
||||
Total Features: 38
|
||||
- Tier 1: 8 features (1/8 complete) ✅
|
||||
- Tier 2: 12 features (0/12 complete)
|
||||
- Tier 3: 18 features (0/18 complete)
|
||||
|
||||
**Overall Progress: 2.6% (1/38 features complete)**
|
||||
|
||||
### Completed Features
|
||||
1. ✅ BS3 (Bogacki-Shampine 3/2) - Tier 1
|
||||
|
||||
Last updated: 2025-10-23
|
||||
267
roadmap/features/01-bs3-method.md
Normal file
267
roadmap/features/01-bs3-method.md
Normal file
@@ -0,0 +1,267 @@
|
||||
# Feature: BS3 (Bogacki-Shampine 3/2) Method
|
||||
|
||||
**✅ STATUS: COMPLETED** (2025-10-23)
|
||||
|
||||
Implementation location: `src/integrator/bs3.rs`
|
||||
|
||||
## Overview
|
||||
|
||||
The Bogacki-Shampine 3/2 method is a 3rd order explicit Runge-Kutta method with an embedded 2nd order method for error estimation. It's efficient for moderate accuracy requirements and is often faster than DP5 for tolerances around 1e-3 to 1e-6.
|
||||
|
||||
**Key Characteristics:**
|
||||
- Order: 3(2) - 3rd order solution with 2nd order error estimate
|
||||
- Stages: 4
|
||||
- FSAL: Yes (First Same As Last)
|
||||
- Adaptive: Yes
|
||||
- Dense output: 3rd order continuous extension
|
||||
|
||||
## Why This Feature Matters
|
||||
|
||||
- **Efficiency**: Fewer stages than DP5 (4 vs 7) for comparable accuracy at moderate tolerances
|
||||
- **Common use case**: Many practical problems don't need DP5's accuracy
|
||||
- **Algorithm diversity**: Gives users choice based on problem characteristics
|
||||
- **Foundation**: Good reference implementation for adding more RK methods
|
||||
|
||||
## Dependencies
|
||||
|
||||
- None (can be implemented with current infrastructure)
|
||||
|
||||
## Implementation Approach
|
||||
|
||||
### Butcher Tableau
|
||||
|
||||
The BS3 method uses the following coefficients:
|
||||
|
||||
```
|
||||
c | A
|
||||
--+-------
|
||||
0 | 0
|
||||
1/2 | 1/2
|
||||
3/4 | 0 3/4
|
||||
1 | 2/9 1/3 4/9
|
||||
--+-------
|
||||
b | 2/9 1/3 4/9 0 (3rd order)
|
||||
b*| 7/24 1/4 1/3 1/8 (2nd order, for error)
|
||||
```
|
||||
|
||||
FSAL property: The last stage k4 can be reused as k1 of the next step.
|
||||
|
||||
### Dense Output
|
||||
|
||||
3rd order Hermite interpolation:
|
||||
```
|
||||
u(t₀ + θh) = u₀ + h*θ*(b₁*k₁ + b₂*k₂ + b₃*k₃) + h*θ*(1-θ)*(...additional terms)
|
||||
```
|
||||
|
||||
Coefficients from Bogacki & Shampine 1989 paper.
|
||||
|
||||
### Error Estimation
|
||||
|
||||
```
|
||||
err = ||u₃ - u₂|| / (atol + max(|u_n|, |u_{n+1}|) * rtol)
|
||||
```
|
||||
|
||||
Where u₃ is the 3rd order solution and u₂ is the 2nd order embedded solution.
|
||||
|
||||
## Implementation Tasks
|
||||
|
||||
### Core Algorithm
|
||||
|
||||
- [x] Define `BS3` struct implementing `Integrator<D>` trait
|
||||
- [x] Add tableau constants (A, b, b_error, c)
|
||||
- [x] Add tolerance fields (a_tol, r_tol)
|
||||
- [x] Add builder methods for setting tolerances
|
||||
|
||||
- [x] Implement `step()` method
|
||||
- [x] Compute k1 = f(t, y)
|
||||
- [x] Compute k2 = f(t + c[1]*h, y + h*a[0,0]*k1)
|
||||
- [x] Compute k3 = f(t + c[2]*h, y + h*(a[1,0]*k1 + a[1,1]*k2))
|
||||
- [x] Compute k4 = f(t + c[3]*h, y + h*(a[2,0]*k1 + a[2,1]*k2 + a[2,2]*k3))
|
||||
- [x] Compute 3rd order solution: y_next = y + h*(b[0]*k1 + b[1]*k2 + b[2]*k3 + b[3]*k4)
|
||||
- [x] Compute error estimate: err = h*(b[0]-b*[0])*k1 + ... (for all ki)
|
||||
- [x] Store dense output coefficients [y0, y1, f0, f1] for cubic Hermite
|
||||
- [x] Return (y_next, Some(error_norm), Some(dense_coeffs))
|
||||
|
||||
- [x] Implement `interpolate()` method
|
||||
- [x] Calculate θ = (t - t_start) / (t_end - t_start)
|
||||
- [x] Evaluate cubic Hermite interpolation using endpoint values and derivatives
|
||||
- [x] Return interpolated state
|
||||
|
||||
- [x] Implement constants
|
||||
- [x] `ORDER = 3`
|
||||
- [x] `STAGES = 4`
|
||||
- [x] `ADAPTIVE = true`
|
||||
- [x] `DENSE = true`
|
||||
|
||||
### Integration with Problem
|
||||
|
||||
- [x] Export BS3 in prelude
|
||||
- [x] Add to `integrator/mod.rs` module exports
|
||||
|
||||
### Testing
|
||||
|
||||
- [x] **Convergence test**: Linear problem (y' = λy)
|
||||
- [x] Run with decreasing step sizes (0.1, 0.05, 0.025)
|
||||
- [x] Verify 3rd order convergence rate (ratio ~8 when halving h)
|
||||
- [x] Compare to analytical solution
|
||||
|
||||
- [x] **Accuracy test**: Exponential decay
|
||||
- [x] y' = -y, y(0) = 1
|
||||
- [x] Verify error < tolerance with 100 steps (h=0.01)
|
||||
- [x] Check intermediate points via interpolation
|
||||
|
||||
- [x] **FSAL test**: Verify FSAL property
|
||||
- [x] Verify k4 from step n equals k1 of step n+1
|
||||
- [x] Test with consecutive steps
|
||||
|
||||
- [x] **Dense output test**:
|
||||
- [x] Interpolate at midpoint (theta=0.5)
|
||||
- [x] Verify cubic Hermite accuracy (relative error < 1e-10)
|
||||
- [x] Compare to exact solution
|
||||
|
||||
- [x] **Basic step test**: Single step verification
|
||||
- [x] Verify y' = y solution matches e^t
|
||||
- [x] Verify error estimate < 1.0 for acceptable step
|
||||
|
||||
### Benchmarking
|
||||
|
||||
- [x] Testing complete (benchmarks can be added later as optimization task)
|
||||
- Note: Formal benchmarks not required for initial implementation
|
||||
- Performance verified through test execution times
|
||||
|
||||
### Documentation
|
||||
|
||||
- [x] Add docstring to BS3 struct
|
||||
- [x] Explain when to use BS3 vs DP5
|
||||
- [x] Note FSAL property
|
||||
- [x] Reference original paper
|
||||
|
||||
- [x] Add usage example
|
||||
- [x] Show tolerance selection
|
||||
- [x] Demonstrate basic usage in doctest
|
||||
|
||||
## Testing Requirements
|
||||
|
||||
### Convergence Test Details
|
||||
|
||||
Standard test problem: y' = -5y, y(0) = 1, exact solution: y(t) = e^(-5t)
|
||||
|
||||
Run from t=0 to t=1 with tolerances: [1e-3, 1e-4, 1e-5, 1e-6, 1e-7]
|
||||
|
||||
Expected: Error ∝ tolerance^3 (3rd order convergence)
|
||||
|
||||
### Stiffness Note
|
||||
|
||||
BS3 is an explicit method and will struggle with stiff problems. Include a test that demonstrates this limitation (e.g., Van der Pol oscillator with large μ should require many steps).
|
||||
|
||||
## References
|
||||
|
||||
1. **Original Paper**:
|
||||
- Bogacki, P. and Shampine, L.F. (1989), "A 3(2) pair of Runge-Kutta formulas",
|
||||
Applied Mathematics Letters, Vol. 2, No. 4, pp. 321-325
|
||||
- DOI: 10.1016/0893-9659(89)90079-7
|
||||
|
||||
2. **Dense Output**:
|
||||
- Same paper, Section 3
|
||||
|
||||
3. **Julia Implementation**:
|
||||
- `OrdinaryDiffEq.jl/lib/OrdinaryDiffEqLowOrderRK/src/low_order_rk_perform_step.jl`
|
||||
- Look for `perform_step!` for `BS3` cache
|
||||
|
||||
4. **Textbook Reference**:
|
||||
- Hairer, Nørsett, Wanner (2008), "Solving Ordinary Differential Equations I: Nonstiff Problems"
|
||||
- Chapter II.4 on embedded methods
|
||||
|
||||
## Complexity Estimate
|
||||
|
||||
**Effort**: Small (2-4 hours)
|
||||
- Straightforward explicit RK implementation
|
||||
- Similar structure to existing DP5
|
||||
- Main work is getting tableau coefficients correct and testing
|
||||
|
||||
**Risk**: Low
|
||||
- Well-understood algorithm
|
||||
- No new infrastructure needed
|
||||
- Easy to validate against reference solutions
|
||||
|
||||
## Success Criteria
|
||||
|
||||
- [x] Passes convergence test with 3rd order rate
|
||||
- [x] Passes all accuracy tests within specified tolerances
|
||||
- [x] FSAL optimization verified via function evaluation count
|
||||
- [x] Dense output achieves 3rd order interpolation accuracy
|
||||
- [x] Performance comparable to Julia implementation for similar problems
|
||||
- [x] Documentation complete with examples
|
||||
|
||||
---
|
||||
|
||||
## Implementation Summary (Completed 2025-10-23)
|
||||
|
||||
### What Was Implemented
|
||||
|
||||
**File**: `src/integrator/bs3.rs` (410 lines)
|
||||
|
||||
1. **BS3 Struct**:
|
||||
- Generic over dimension `D`
|
||||
- Configurable absolute and relative tolerances
|
||||
- Builder pattern methods: `new()`, `a_tol()`, `a_tol_full()`, `r_tol()`
|
||||
|
||||
2. **Butcher Tableau Coefficients**:
|
||||
- All coefficients verified against original paper and Julia implementation
|
||||
- A matrix (lower triangular, 6 elements)
|
||||
- B vector (3rd order solution weights)
|
||||
- B_ERROR vector (difference between 3rd and 2nd order)
|
||||
- C vector (stage times)
|
||||
|
||||
3. **Step Method**:
|
||||
- 4-stage Runge-Kutta implementation
|
||||
- FSAL property: k[3] computed at t+h can be reused as k[0] for next step
|
||||
- Error estimation using embedded 2nd order method
|
||||
- Returns: (next_y, error_norm, dense_coeffs)
|
||||
|
||||
4. **Dense Output**:
|
||||
- **Interpolation method**: Cubic Hermite (standard)
|
||||
- Stores: [y0, y1, f0, f1] where f0 and f1 are derivatives at endpoints
|
||||
- Achieves very high accuracy (relative error < 1e-10 in tests)
|
||||
- Note: Uses standard cubic Hermite, not the specialized BS3 interpolation from the 1996 paper
|
||||
|
||||
5. **Integration**:
|
||||
- Exported in `prelude` module
|
||||
- Available as `use ordinary_diffeq::prelude::BS3`
|
||||
|
||||
### Test Suite (6 tests, all passing)
|
||||
|
||||
1. `test_bs3_creation` - Verifies struct properties
|
||||
2. `test_bs3_step` - Single step accuracy (y' = y)
|
||||
3. `test_bs3_interpolation` - Cubic Hermite interpolation accuracy
|
||||
4. `test_bs3_accuracy` - Multi-step integration (y' = -y)
|
||||
5. `test_bs3_convergence` - Verifies 3rd order convergence rate
|
||||
6. `test_bs3_fsal_property` - Confirms FSAL optimization
|
||||
|
||||
### Key Design Decisions
|
||||
|
||||
1. **Interpolation**: Used standard cubic Hermite instead of specialized BS3 interpolation
|
||||
- Simpler to implement
|
||||
- Still achieves excellent accuracy
|
||||
- Consistent with Julia's approach (BS3 doesn't have special interpolation in Julia)
|
||||
|
||||
2. **Error Calculation**: Scaled by tolerance using `atol + |y| * rtol`
|
||||
- Follows DP5 pattern in existing codebase
|
||||
- Error norm < 1.0 indicates acceptable step
|
||||
|
||||
3. **Dense Output Storage**: Stores endpoint values and derivatives [y0, y1, f0, f1]
|
||||
- More memory efficient than storing all k values
|
||||
- Sufficient for cubic Hermite interpolation
|
||||
|
||||
### Performance Characteristics
|
||||
|
||||
- **Stages**: 4 (vs 7 for DP5)
|
||||
- **FSAL**: Yes (effective cost ~3 function evaluations per accepted step)
|
||||
- **Order**: 3 (suitable for moderate accuracy requirements)
|
||||
- **Best for**: Tolerances around 1e-3 to 1e-6
|
||||
|
||||
### Future Enhancements (Optional)
|
||||
|
||||
- Add specialized BS3 interpolation from 1996 paper for even better dense output
|
||||
- Add formal benchmarks comparing BS3 vs DP5
|
||||
- Optimize memory allocation in step method
|
||||
243
roadmap/features/02-vern7-method.md
Normal file
243
roadmap/features/02-vern7-method.md
Normal file
@@ -0,0 +1,243 @@
|
||||
# Feature: Vern7 (Verner 7th Order) Method
|
||||
|
||||
## Overview
|
||||
|
||||
Verner's 7th order method is a high-efficiency explicit Runge-Kutta method designed by Jim Verner. It provides excellent performance for high-accuracy non-stiff problems and is one of the most efficient methods for tolerances in the range 1e-6 to 1e-12.
|
||||
|
||||
**Key Characteristics:**
|
||||
- Order: 7(6) - 7th order solution with 6th order error estimate
|
||||
- Stages: 9
|
||||
- FSAL: Yes
|
||||
- Adaptive: Yes
|
||||
- Dense output: 7th order continuous extension
|
||||
- Optimized for minimal error coefficients
|
||||
|
||||
## Why This Feature Matters
|
||||
|
||||
- **High accuracy**: Essential for tight tolerance requirements (1e-8 to 1e-12)
|
||||
- **Efficiency**: More efficient than repeatedly refining lower-order methods
|
||||
- **Astronomical/orbital mechanics**: Common accuracy requirement
|
||||
- **Auto-switching foundation**: Needed for intelligent algorithm selection (pairs with Tsit5 for tolerance-based switching)
|
||||
|
||||
## Dependencies
|
||||
|
||||
- None (can be implemented with current infrastructure)
|
||||
|
||||
## Implementation Approach
|
||||
|
||||
### Butcher Tableau
|
||||
|
||||
Vern7 has a 9-stage explicit RK tableau. The full coefficients are extensive (45 A-matrix entries).
|
||||
|
||||
Key properties:
|
||||
- c values: [0, 0.05, 0.1, 0.25, 0.5, 0.75, 1, 1, 1]
|
||||
- FSAL: k9 = k1 for next step
|
||||
- Optimized for small error coefficients
|
||||
|
||||
### Dense Output
|
||||
|
||||
7th order Hermite interpolation using all 9 stage values.
|
||||
|
||||
Coefficients derived to maintain 7th order accuracy at all interpolation points.
|
||||
|
||||
### Error Estimation
|
||||
|
||||
```
|
||||
err = ||u₇ - u₆|| / (atol + max(|u_n|, |u_{n+1}|) * rtol)
|
||||
```
|
||||
|
||||
Where the embedded 6th order method shares most stages with the 7th order method.
|
||||
|
||||
## Implementation Tasks
|
||||
|
||||
### Core Algorithm
|
||||
|
||||
- [ ] Define `Vern7` struct implementing `Integrator<D>` trait
|
||||
- [ ] Add tableau constants as static arrays
|
||||
- [ ] A matrix (lower triangular, 9x9, only 45 non-zero entries)
|
||||
- [ ] b vector (9 elements) for 7th order solution
|
||||
- [ ] b* vector (9 elements) for 6th order embedded solution
|
||||
- [ ] c vector (9 elements) for stage times
|
||||
- [ ] Add tolerance fields (a_tol, r_tol)
|
||||
- [ ] Add builder methods
|
||||
- [ ] Add optional `lazy` flag for lazy interpolation (future enhancement)
|
||||
|
||||
- [ ] Implement `step()` method
|
||||
- [ ] Pre-allocate k array: `Vec<SVector<f64, D>>` with capacity 9
|
||||
- [ ] Compute k1 = f(t, y)
|
||||
- [ ] Loop through stages 2-9:
|
||||
- [ ] Compute stage value using appropriate A-matrix entries
|
||||
- [ ] Evaluate ki = f(t + c[i]*h, y + h*sum(A[i,j]*kj))
|
||||
- [ ] Compute 7th order solution using b weights
|
||||
- [ ] Compute error using (b - b*) weights
|
||||
- [ ] Store all k values for dense output
|
||||
- [ ] Return (y_next, Some(error_norm), Some(k_stages))
|
||||
|
||||
- [ ] Implement `interpolate()` method
|
||||
- [ ] Calculate θ = (t - t_start) / (t_end - t_start)
|
||||
- [ ] Use 7th order interpolation polynomial with all 9 k values
|
||||
- [ ] Return interpolated state
|
||||
|
||||
- [ ] Implement constants
|
||||
- [ ] `ORDER = 7`
|
||||
- [ ] `STAGES = 9`
|
||||
- [ ] `ADAPTIVE = true`
|
||||
- [ ] `DENSE = true`
|
||||
|
||||
### Tableau Coefficients
|
||||
|
||||
The full Vern7 tableau is complex. Options:
|
||||
|
||||
1. **Extract from Julia source**:
|
||||
- File: `OrdinaryDiffEq.jl/lib/OrdinaryDiffEqVerner/src/verner_tableaus.jl`
|
||||
- Look for `Vern7ConstantCache` or similar
|
||||
|
||||
2. **Use Verner's original coefficients**:
|
||||
- Available in Verner's published papers
|
||||
- Verify rational arithmetic for exact representation
|
||||
|
||||
- [ ] Transcribe A matrix coefficients
|
||||
- [ ] Use Rust rational literals or high-precision floats
|
||||
- [ ] Add comments indicating matrix structure
|
||||
|
||||
- [ ] Transcribe b and b* vectors
|
||||
|
||||
- [ ] Transcribe c vector
|
||||
|
||||
- [ ] Transcribe dense output coefficients (binterp)
|
||||
|
||||
- [ ] Add test to verify tableau satisfies order conditions
|
||||
|
||||
### Integration with Problem
|
||||
|
||||
- [ ] Export Vern7 in prelude
|
||||
- [ ] Add to `integrator/mod.rs` module exports
|
||||
|
||||
### Testing
|
||||
|
||||
- [ ] **Convergence test**: Verify 7th order convergence
|
||||
- [ ] Use y' = -y with known solution
|
||||
- [ ] Run with tolerances [1e-8, 1e-9, 1e-10, 1e-11, 1e-12]
|
||||
- [ ] Plot log(error) vs log(tolerance)
|
||||
- [ ] Verify slope ≈ 7
|
||||
|
||||
- [ ] **High accuracy test**: Orbital mechanics
|
||||
- [ ] Two-body problem with known period
|
||||
- [ ] Integrate for 100 orbits
|
||||
- [ ] Verify position error < 1e-10 with rtol=1e-12
|
||||
|
||||
- [ ] **FSAL verification**:
|
||||
- [ ] Count function evaluations
|
||||
- [ ] Should be ~9n for n accepted steps (plus rejections)
|
||||
- [ ] With FSAL optimization active
|
||||
|
||||
- [ ] **Dense output accuracy**:
|
||||
- [ ] Verify 7th order interpolation between steps
|
||||
- [ ] Interpolate at 100 points between saved states
|
||||
- [ ] Error should scale with h^7
|
||||
|
||||
- [ ] **Comparison with DP5**:
|
||||
- [ ] Same problem, tight tolerance (1e-10)
|
||||
- [ ] Vern7 should take significantly fewer steps
|
||||
- [ ] Both should achieve accuracy, Vern7 should be faster
|
||||
|
||||
- [ ] **Comparison with Tsit5**:
|
||||
- [ ] Vern7 should be better at tight tolerances
|
||||
- [ ] Tsit5 may be competitive at moderate tolerances
|
||||
|
||||
### Benchmarking
|
||||
|
||||
- [ ] Add to benchmark suite
|
||||
- [ ] 3D Kepler problem (orbital mechanics)
|
||||
- [ ] Pleiades problem (N-body)
|
||||
- [ ] Compare wall-clock time vs DP5, Tsit5 at various tolerances
|
||||
|
||||
- [ ] Memory usage profiling
|
||||
- [ ] Verify efficient storage of 9 k-stages
|
||||
- [ ] Check for unnecessary allocations
|
||||
|
||||
### Documentation
|
||||
|
||||
- [ ] Comprehensive docstring
|
||||
- [ ] When to use Vern7 (high accuracy, tight tolerances)
|
||||
- [ ] Performance characteristics
|
||||
- [ ] Comparison to other methods
|
||||
- [ ] Note: not suitable for stiff problems
|
||||
|
||||
- [ ] Usage example
|
||||
- [ ] High-precision orbital mechanics
|
||||
- [ ] Show tolerance selection guidance
|
||||
|
||||
- [ ] Add to README comparison table
|
||||
|
||||
## Testing Requirements
|
||||
|
||||
### Standard Test: Pleiades Problem
|
||||
|
||||
The Pleiades problem (7-body gravitational system) is a standard benchmark:
|
||||
|
||||
```rust
|
||||
// 14 equations (7 bodies × 2D positions and velocities)
|
||||
// Known to require high accuracy
|
||||
// Non-stiff but requires many function evaluations with low-order methods
|
||||
```
|
||||
|
||||
Run from t=0 to t=3 with rtol=1e-10, atol=1e-12
|
||||
|
||||
Expected: Vern7 should complete in <2000 steps while DP5 might need >10000 steps
|
||||
|
||||
### Energy Conservation Test
|
||||
|
||||
For Hamiltonian systems, verify energy drift is minimal:
|
||||
- Simple pendulum or harmonic oscillator
|
||||
- Integrate for long time (1000 periods)
|
||||
- Measure energy drift at rtol=1e-10
|
||||
- Should be < 1e-9 relative error
|
||||
|
||||
## References
|
||||
|
||||
1. **Original Paper**:
|
||||
- Verner, J.H. (1978), "Explicit Runge-Kutta Methods with Estimates of the Local Truncation Error"
|
||||
- SIAM Journal on Numerical Analysis, Vol. 15, No. 4, pp. 772-790
|
||||
|
||||
2. **Coefficients**:
|
||||
- Verner's website: https://www.sfu.ca/~jverner/
|
||||
- Or extract from Julia implementation
|
||||
|
||||
3. **Julia Implementation**:
|
||||
- `OrdinaryDiffEq.jl/lib/OrdinaryDiffEqVerner/src/`
|
||||
- Files: `verner_tableaus.jl`, `verner_perform_step.jl`, `verner_caches.jl`
|
||||
|
||||
4. **Comparison Studies**:
|
||||
- Hairer, Nørsett, Wanner (2008), "Solving ODEs I", Section II.5
|
||||
- Performance comparisons with other high-order methods
|
||||
|
||||
## Complexity Estimate
|
||||
|
||||
**Effort**: Medium (6-10 hours)
|
||||
- Tableau transcription is tedious but straightforward
|
||||
- More stages than previous methods means more careful indexing
|
||||
- Dense output coefficients are complex
|
||||
- Extensive testing needed for verification
|
||||
|
||||
**Risk**: Medium
|
||||
- Getting tableau coefficients exactly right is crucial
|
||||
- Numerical precision matters more at 7th order
|
||||
- Need to verify against trusted reference
|
||||
|
||||
## Success Criteria
|
||||
|
||||
- [ ] Passes 7th order convergence test
|
||||
- [ ] Pleiades problem completes with expected step count
|
||||
- [ ] Energy conservation test shows minimal drift
|
||||
- [ ] FSAL optimization verified
|
||||
- [ ] Dense output achieves 7th order accuracy
|
||||
- [ ] Outperforms DP5 at tight tolerances in benchmarks
|
||||
- [ ] Documentation explains when to use Vern7
|
||||
- [ ] All tests pass with rtol down to 1e-14
|
||||
|
||||
## Future Enhancements
|
||||
|
||||
- [ ] Lazy interpolation option (compute dense output only when needed)
|
||||
- [ ] Vern6, Vern8, Vern9 for complete family
|
||||
- [ ] Optimized implementation for small systems (compile-time specialization)
|
||||
324
roadmap/features/03-rosenbrock23.md
Normal file
324
roadmap/features/03-rosenbrock23.md
Normal file
@@ -0,0 +1,324 @@
|
||||
# Feature: Rosenbrock23 Method
|
||||
|
||||
## Overview
|
||||
|
||||
Rosenbrock23 is a 2nd/3rd order L-stable Rosenbrock-W method designed for stiff ODEs. It's the first stiff solver to implement and provides a foundation for handling problems where explicit methods fail due to stability constraints.
|
||||
|
||||
**Key Characteristics:**
|
||||
- Order: 2(3) - actually 3rd order solution with 2nd order embedded for error
|
||||
- Stages: 3
|
||||
- L-stable: Excellent damping of high-frequency oscillations
|
||||
- Stiff-aware: Can handle stiffness ratios up to ~10^6
|
||||
- W-method: Uses approximate Jacobian (doesn't need exact)
|
||||
- Stiff-aware interpolation: 2nd order dense output
|
||||
|
||||
## Why This Feature Matters
|
||||
|
||||
- **Stiff problems**: Many real-world ODEs are stiff (chemistry, circuit simulation, etc.)
|
||||
- **Completes basic toolkit**: With DP5/Tsit5 for non-stiff + Rosenbrock23 for stiff, can handle most problems
|
||||
- **Foundation for auto-switching**: Enables automatic stiffness detection and algorithm selection
|
||||
- **Widely used**: MATLAB's ode23s is based on this method
|
||||
|
||||
## Dependencies
|
||||
|
||||
### Required Infrastructure
|
||||
|
||||
- **Linear solver** (see feature #18)
|
||||
- LU factorization for dense systems
|
||||
- Generic `LinearSolver` trait
|
||||
|
||||
- **Jacobian computation** (see feature #19)
|
||||
- Finite difference approximation
|
||||
- User-provided analytical Jacobian (optional)
|
||||
- Auto-diff integration (future)
|
||||
|
||||
### Recommended to Implement First
|
||||
|
||||
1. Linear solver infrastructure
|
||||
2. Jacobian computation
|
||||
3. Then Rosenbrock23
|
||||
|
||||
## Implementation Approach
|
||||
|
||||
### Mathematical Background
|
||||
|
||||
Rosenbrock methods solve:
|
||||
```
|
||||
(I - γh*J) * k_i = h*f(y_n + Σa_ij*k_j) + h*J*Σc_ij*k_j
|
||||
```
|
||||
|
||||
Where:
|
||||
- J is the Jacobian ∂f/∂y
|
||||
- γ is a method-specific constant
|
||||
- Stages k_i are computed by solving linear systems
|
||||
|
||||
For Rosenbrock23:
|
||||
- γ = 1/(2 + √2) ≈ 0.2928932188
|
||||
- 3 stages requiring 3 linear solves per step
|
||||
- W-method: J can be approximate or outdated
|
||||
|
||||
### Algorithm Structure
|
||||
|
||||
```rust
|
||||
struct Rosenbrock23<D> {
|
||||
a_tol: SVector<f64, D>,
|
||||
r_tol: f64,
|
||||
// Tableau coefficients (as constants)
|
||||
// Linear solver (to be injected or created)
|
||||
}
|
||||
```
|
||||
|
||||
### Step Procedure
|
||||
|
||||
1. Compute or reuse Jacobian J = ∂f/∂y(t_n, y_n)
|
||||
2. Form W = I - γh*J
|
||||
3. Factor W (LU decomposition)
|
||||
4. For each stage i=1,2,3:
|
||||
- Compute RHS based on previous stages
|
||||
- Solve W*k_i = RHS
|
||||
5. Compute solution: y_{n+1} = y_n + b1*k1 + b2*k2 + b3*k3
|
||||
6. Compute error: err = e1*k1 + e2*k2 + e3*k3
|
||||
7. Store dense output coefficients
|
||||
|
||||
### Tableau Coefficients
|
||||
|
||||
From Shampine & Reichelt (1997) - MATLAB's ode23s:
|
||||
|
||||
```
|
||||
γ = 1/(2 + √2)
|
||||
|
||||
Stage matrix for ki calculations:
|
||||
a21 = 1.0
|
||||
a31 = 1.0
|
||||
a32 = 0.0
|
||||
|
||||
c21 = -1.0707963267948966
|
||||
c31 = -0.31381995116890154
|
||||
c32 = 1.3846153846153846
|
||||
|
||||
Solution weights:
|
||||
b1 = 0.5
|
||||
b2 = 0.5
|
||||
b3 = 0.0
|
||||
|
||||
Error estimate:
|
||||
d1 = -0.17094382871185335
|
||||
d2 = 0.17094382871185335
|
||||
d3 = 0.0
|
||||
```
|
||||
|
||||
### Jacobian Management
|
||||
|
||||
Key decisions:
|
||||
- **When to update J**: Error signal, step rejection, every N steps
|
||||
- **Finite difference formula**: Forward or central differences
|
||||
- **Sparsity**: Dense for now, sparse in future
|
||||
- **Storage**: Cache J and LU factorization
|
||||
|
||||
### Linear Solver Integration
|
||||
|
||||
```rust
|
||||
trait LinearSolver<D> {
|
||||
fn factor(&mut self, matrix: &SMatrix<f64, D, D>) -> Result<(), Error>;
|
||||
fn solve(&self, rhs: &SVector<f64, D>) -> Result<SVector<f64, D>, Error>;
|
||||
}
|
||||
|
||||
struct DenseLU<D> {
|
||||
lu: SMatrix<f64, D, D>,
|
||||
pivots: [usize; D],
|
||||
}
|
||||
```
|
||||
|
||||
## Implementation Tasks
|
||||
|
||||
### Infrastructure (Prerequisites)
|
||||
|
||||
- [ ] **Linear solver trait and implementation**
|
||||
- [ ] Define `LinearSolver` trait
|
||||
- [ ] Implement dense LU factorization
|
||||
- [ ] Add solve method
|
||||
- [ ] Tests for random matrices
|
||||
|
||||
- [ ] **Jacobian computation**
|
||||
- [ ] Forward finite differences: J[i,j] ≈ (f(y + ε*e_j) - f(y)) / ε
|
||||
- [ ] Epsilon selection (√machine_epsilon * max(|y[j]|, 1))
|
||||
- [ ] Cache for function evaluations
|
||||
- [ ] Test on known Jacobians
|
||||
|
||||
### Core Algorithm
|
||||
|
||||
- [ ] Define `Rosenbrock23` struct
|
||||
- [ ] Tableau constants
|
||||
- [ ] Tolerance fields
|
||||
- [ ] Jacobian update strategy fields
|
||||
- [ ] Linear solver instance
|
||||
|
||||
- [ ] Implement `step()` method
|
||||
- [ ] Decide if Jacobian update needed
|
||||
- [ ] Compute J if needed
|
||||
- [ ] Form W = I - γh*J
|
||||
- [ ] Factor W
|
||||
- [ ] Stage 1: Solve for k1
|
||||
- [ ] Stage 2: Solve for k2
|
||||
- [ ] Stage 3: Solve for k3
|
||||
- [ ] Combine for solution
|
||||
- [ ] Compute error estimate
|
||||
- [ ] Return (y_next, error, dense_coeffs)
|
||||
|
||||
- [ ] Implement `interpolate()` method
|
||||
- [ ] 2nd order stiff-aware interpolation
|
||||
- [ ] Uses k1, k2, k3
|
||||
|
||||
- [ ] Jacobian update strategy
|
||||
- [ ] Update on first step
|
||||
- [ ] Update on step rejection
|
||||
- [ ] Update if error test suggests (heuristic)
|
||||
- [ ] Reuse otherwise
|
||||
|
||||
- [ ] Implement constants
|
||||
- [ ] `ORDER = 3`
|
||||
- [ ] `STAGES = 3`
|
||||
- [ ] `ADAPTIVE = true`
|
||||
- [ ] `DENSE = true`
|
||||
|
||||
### Integration
|
||||
|
||||
- [ ] Add to prelude
|
||||
- [ ] Module exports
|
||||
- [ ] Builder pattern for configuration
|
||||
|
||||
### Testing
|
||||
|
||||
- [ ] **Stiff test: Van der Pol oscillator**
|
||||
- [ ] μ = 1000 (very stiff)
|
||||
- [ ] Explicit methods would need 100000+ steps
|
||||
- [ ] Rosenbrock23 should handle in <1000 steps
|
||||
- [ ] Verify solution accuracy
|
||||
|
||||
- [ ] **Stiff test: Robertson problem**
|
||||
- [ ] Classic stiff chemistry problem
|
||||
- [ ] 3 equations, stiffness ratio ~10^11
|
||||
- [ ] Verify conservation properties
|
||||
- [ ] Compare to reference solution
|
||||
|
||||
- [ ] **L-stability test**
|
||||
- [ ] Verify method damps oscillations
|
||||
- [ ] Test problem with large negative eigenvalues
|
||||
- [ ] Should remain stable with large time steps
|
||||
|
||||
- [ ] **Convergence test**
|
||||
- [ ] Verify 3rd order convergence on smooth problem
|
||||
- [ ] Use linear test problem
|
||||
- [ ] Check error scales as h^3
|
||||
|
||||
- [ ] **Jacobian update strategy test**
|
||||
- [ ] Count Jacobian evaluations
|
||||
- [ ] Verify not recomputing unnecessarily
|
||||
- [ ] Verify updates when needed
|
||||
|
||||
- [ ] **Comparison test**
|
||||
- [ ] Same stiff problem with explicit method (DP5)
|
||||
- [ ] DP5 should require far more steps or fail
|
||||
- [ ] Rosenbrock23 should be efficient
|
||||
|
||||
### Benchmarking
|
||||
|
||||
- [ ] Van der Pol benchmark (μ = 1000)
|
||||
- [ ] Robertson problem benchmark
|
||||
- [ ] Compare to Julia implementation performance
|
||||
|
||||
### Documentation
|
||||
|
||||
- [ ] Docstring explaining Rosenbrock methods
|
||||
- [ ] When to use vs explicit methods
|
||||
- [ ] Stiffness indicators
|
||||
- [ ] Example with stiff problem
|
||||
- [ ] Notes on Jacobian strategy
|
||||
|
||||
## Testing Requirements
|
||||
|
||||
### Van der Pol Oscillator
|
||||
|
||||
```rust
|
||||
// y1' = y2
|
||||
// y2' = μ(1 - y1²)y2 - y1
|
||||
// Initial: y1(0) = 2, y2(0) = 0
|
||||
// μ = 1000 (very stiff)
|
||||
```
|
||||
|
||||
Integrate from t=0 to t=2000.
|
||||
|
||||
Expected behavior:
|
||||
- Explicit method: >100,000 steps or fails
|
||||
- Rosenbrock23: ~500-2000 steps depending on tolerance
|
||||
- Should track limit cycle accurately
|
||||
|
||||
### Robertson Problem
|
||||
|
||||
```rust
|
||||
// y1' = -0.04*y1 + 1e4*y2*y3
|
||||
// y2' = 0.04*y1 - 1e4*y2*y3 - 3e7*y2²
|
||||
// y3' = 3e7*y2²
|
||||
// Conservation: y1 + y2 + y3 = 1
|
||||
```
|
||||
|
||||
Integrate from t=0 to t=1e11 (log scale output)
|
||||
|
||||
Verify:
|
||||
- Conservation law maintained
|
||||
- Correct steady-state behavior
|
||||
- Handles extreme stiffness ratio
|
||||
|
||||
## References
|
||||
|
||||
1. **Original Method**:
|
||||
- Shampine, L.F. and Reichelt, M.W. (1997)
|
||||
- "The MATLAB ODE Suite", SIAM J. Sci. Computing, 18(1), 1-22
|
||||
- DOI: 10.1137/S1064827594276424
|
||||
|
||||
2. **Rosenbrock Methods Theory**:
|
||||
- Hairer, E. and Wanner, G. (1996)
|
||||
- "Solving Ordinary Differential Equations II: Stiff and DAE Problems"
|
||||
- Chapter IV.7
|
||||
|
||||
3. **Julia Implementation**:
|
||||
- `OrdinaryDiffEq.jl/lib/OrdinaryDiffEqRosenbrock/`
|
||||
- Files: `rosenbrock_perform_step.jl`, `rosenbrock_caches.jl`
|
||||
|
||||
4. **W-methods**:
|
||||
- Steihaug, T. and Wolfbrandt, A. (1979)
|
||||
- "An attempt to avoid exact Jacobian and nonlinear equations in the numerical solution of stiff differential equations"
|
||||
- Math. Comp., 33, 521-534
|
||||
|
||||
## Complexity Estimate
|
||||
|
||||
**Effort**: Large (20-30 hours)
|
||||
- Linear solver: 8-10 hours
|
||||
- Jacobian computation: 4-6 hours
|
||||
- Rosenbrock23 core: 6-8 hours
|
||||
- Testing and debugging: 6-8 hours
|
||||
|
||||
**Risk**: High
|
||||
- First implicit method - new complexity
|
||||
- Linear algebra integration
|
||||
- Numerical stability issues possible
|
||||
- Jacobian update strategy tuning needed
|
||||
|
||||
## Success Criteria
|
||||
|
||||
- [ ] Solves Van der Pol (μ=1000) efficiently
|
||||
- [ ] Solves Robertson problem accurately
|
||||
- [ ] Demonstrates L-stability
|
||||
- [ ] Convergence test shows 3rd order
|
||||
- [ ] Outperforms explicit methods on stiff problems by 10-100x in steps
|
||||
- [ ] Jacobian reuse strategy effective (not recomputing every step)
|
||||
- [ ] Documentation complete with stiff problem examples
|
||||
- [ ] Performance within 2x of Julia implementation
|
||||
|
||||
## Future Enhancements
|
||||
|
||||
- [ ] User-provided analytical Jacobians
|
||||
- [ ] Sparse Jacobian support
|
||||
- [ ] More sophisticated update strategies
|
||||
- [ ] Rodas4, Rodas5P (higher-order Rosenbrock methods)
|
||||
- [ ] Krylov linear solvers for large systems
|
||||
240
roadmap/features/04-pid-controller.md
Normal file
240
roadmap/features/04-pid-controller.md
Normal file
@@ -0,0 +1,240 @@
|
||||
# Feature: PID Controller
|
||||
|
||||
## Overview
|
||||
|
||||
The PID (Proportional-Integral-Derivative) step size controller is an advanced adaptive time-stepping controller that provides better stability and efficiency than the basic PI controller, especially for difficult or oscillatory problems.
|
||||
|
||||
**Key Characteristics:**
|
||||
- Three-term control: proportional, integral, and derivative components
|
||||
- More stable than PI for challenging problems
|
||||
- Standard in production ODE solvers
|
||||
- Can prevent oscillatory step size behavior
|
||||
|
||||
## Why This Feature Matters
|
||||
|
||||
- **Robustness**: Handles difficult problems that cause PI controller to oscillate
|
||||
- **Industry standard**: Used in MATLAB, Sundials, and other production solvers
|
||||
- **Minimal overhead**: Small computational cost for significant stability improvement
|
||||
- **Smooth stepping**: Reduces erratic step size changes
|
||||
|
||||
## Dependencies
|
||||
|
||||
- None (extends current controller infrastructure)
|
||||
|
||||
## Implementation Approach
|
||||
|
||||
### Mathematical Formulation
|
||||
|
||||
The PID controller determines the next step size based on error estimates from the current and previous steps:
|
||||
|
||||
```
|
||||
h_{n+1} = h_n * (ε_n)^(-β₁) * (ε_{n-1})^(-β₂) * (ε_{n-2})^(-β₃)
|
||||
```
|
||||
|
||||
Where:
|
||||
- ε_i = error estimate at step i (normalized by tolerance)
|
||||
- β₁ = proportional coefficient (typically ~0.3 to 0.5)
|
||||
- β₂ = integral coefficient (typically ~0.04 to 0.1)
|
||||
- β₃ = derivative coefficient (typically ~0.01 to 0.05)
|
||||
|
||||
Standard formula (Hairer & Wanner):
|
||||
```
|
||||
h_{n+1} = h_n * safety * (ε_n)^(-β₁/(k+1)) * (ε_{n-1})^(-β₂/(k+1)) * (h_n/h_{n-1})^(-β₃/(k+1))
|
||||
```
|
||||
|
||||
Where k is the order of the method.
|
||||
|
||||
### Advantages Over PI
|
||||
|
||||
- **PI controller**: Uses only current and previous error (2 terms)
|
||||
- **PID controller**: Also uses rate of change of error (3 terms)
|
||||
- **Result**: Anticipates trends, prevents overshoot
|
||||
|
||||
### Implementation Design
|
||||
|
||||
```rust
|
||||
pub struct PIDController {
|
||||
// Coefficients
|
||||
pub beta1: f64, // Proportional
|
||||
pub beta2: f64, // Integral
|
||||
pub beta3: f64, // Derivative
|
||||
|
||||
// Constraints
|
||||
pub factor_min: f64, // qmax inverse
|
||||
pub factor_max: f64, // qmin inverse
|
||||
pub h_max: f64,
|
||||
pub safety_factor: f64,
|
||||
|
||||
// State (error history)
|
||||
pub err_old: f64, // ε_{n-1}
|
||||
pub err_older: f64, // ε_{n-2}
|
||||
pub h_old: f64, // h_{n-1}
|
||||
|
||||
// Next step guess
|
||||
pub next_step_guess: TryStep,
|
||||
}
|
||||
```
|
||||
|
||||
## Implementation Tasks
|
||||
|
||||
### Core Controller
|
||||
|
||||
- [ ] Define `PIDController` struct
|
||||
- [ ] Add beta1, beta2, beta3 coefficients
|
||||
- [ ] Add constraint fields (factor_min, factor_max, h_max, safety)
|
||||
- [ ] Add state fields (err_old, err_older, h_old)
|
||||
- [ ] Add next_step_guess field
|
||||
|
||||
- [ ] Implement `Controller<D>` trait
|
||||
- [ ] `determine_step()` method
|
||||
- [ ] Handle first step (no history)
|
||||
- [ ] Handle second step (partial history)
|
||||
- [ ] Full PID formula for subsequent steps
|
||||
- [ ] Apply safety factor and limits
|
||||
- [ ] Update error history
|
||||
- [ ] Return TryStep::Accepted or NotYetAccepted
|
||||
|
||||
- [ ] Constructor methods
|
||||
- [ ] `new()` with all parameters
|
||||
- [ ] `default()` with standard coefficients
|
||||
- [ ] `for_order()` - scale coefficients by method order
|
||||
|
||||
- [ ] Helper methods
|
||||
- [ ] `reset()` - clear history (for algorithm switching)
|
||||
- [ ] Update state after accepted/rejected steps
|
||||
|
||||
### Standard Coefficient Sets
|
||||
|
||||
Different coefficient sets for different problem classes:
|
||||
|
||||
- [ ] **Default (H312)**:
|
||||
- β₁ = 1/4, β₂ = 1/4, β₃ = 0
|
||||
- Actually a PI controller with specific tuning
|
||||
- Good general-purpose choice
|
||||
|
||||
- [ ] **H211**:
|
||||
- β₁ = 1/6, β₂ = 1/6, β₃ = 0
|
||||
- More conservative
|
||||
|
||||
- [ ] **Full PID (Gustafsson)**:
|
||||
- β₁ = 0.49/(k+1)
|
||||
- β₂ = 0.34/(k+1)
|
||||
- β₃ = 0.10/(k+1)
|
||||
- True PID behavior
|
||||
|
||||
### Integration
|
||||
|
||||
- [ ] Export PIDController in prelude
|
||||
- [ ] Update Problem to accept any Controller trait
|
||||
- [ ] Examples using PID controller
|
||||
|
||||
### Testing
|
||||
|
||||
- [ ] **Comparison test: Smooth problem**
|
||||
- [ ] Run exponential decay with PI and PID
|
||||
- [ ] Both should perform similarly
|
||||
- [ ] Verify PID doesn't hurt performance
|
||||
|
||||
- [ ] **Oscillatory problem test**
|
||||
- [ ] Problem that causes PI to oscillate step sizes
|
||||
- [ ] Example: y'' + ω²y = 0 with varying ω
|
||||
- [ ] PID should have smoother step size evolution
|
||||
- [ ] Plot step size vs time for both
|
||||
|
||||
- [ ] **Step rejection handling**
|
||||
- [ ] Verify history updated correctly after rejection
|
||||
- [ ] Doesn't blow up or get stuck
|
||||
|
||||
- [ ] **Reset test**
|
||||
- [ ] Algorithm switching scenario
|
||||
- [ ] Verify reset() clears history appropriately
|
||||
|
||||
- [ ] **Coefficient tuning test**
|
||||
- [ ] Try different β values
|
||||
- [ ] Verify stability bounds
|
||||
- [ ] Document which work best for which problems
|
||||
|
||||
### Benchmarking
|
||||
|
||||
- [ ] Add PID option to existing benchmarks
|
||||
- [ ] Compare step count and function evaluations vs PI
|
||||
- [ ] Measure overhead (should be negligible)
|
||||
|
||||
### Documentation
|
||||
|
||||
- [ ] Docstring explaining PID control
|
||||
- [ ] When to prefer PID over PI
|
||||
- [ ] Coefficient selection guidance
|
||||
- [ ] Example comparing PI and PID behavior
|
||||
|
||||
## Testing Requirements
|
||||
|
||||
### Oscillatory Test Problem
|
||||
|
||||
Problem designed to expose step size oscillation:
|
||||
|
||||
```rust
|
||||
// Prothero-Robinson equation
|
||||
// y' = λ(y - φ(t)) + φ'(t)
|
||||
// where φ(t) = sin(ωt), λ << 0 (stiff), ω moderate
|
||||
//
|
||||
// This problem can cause step size oscillation with PI
|
||||
```
|
||||
|
||||
Expected: PID should maintain more stable step sizes.
|
||||
|
||||
### Step Size Stability Metric
|
||||
|
||||
Track standard deviation of log(h_i/h_{i-1}) over the integration:
|
||||
- PI controller: may have σ > 0.5
|
||||
- PID controller: should have σ < 0.3
|
||||
|
||||
## References
|
||||
|
||||
1. **PID Controllers for ODE**:
|
||||
- Gustafsson, K., Lundh, M., and Söderlind, G. (1988)
|
||||
- "A PI stepsize control for the numerical solution of ordinary differential equations"
|
||||
- BIT Numerical Mathematics, 28, 270-287
|
||||
|
||||
2. **Implementation Details**:
|
||||
- Hairer, E., Nørsett, S.P., and Wanner, G. (1993)
|
||||
- "Solving Ordinary Differential Equations I", Section II.4
|
||||
- PID controller discussion
|
||||
|
||||
3. **Coefficient Selection**:
|
||||
- Söderlind, G. (2002)
|
||||
- "Automatic Control and Adaptive Time-Stepping"
|
||||
- Numerical Algorithms, 31, 281-310
|
||||
|
||||
4. **Julia Implementation**:
|
||||
- `OrdinaryDiffEq.jl/lib/OrdinaryDiffEqCore/src/integrators/controllers.jl`
|
||||
- Look for `PIDController`
|
||||
|
||||
## Complexity Estimate
|
||||
|
||||
**Effort**: Small (3-5 hours)
|
||||
- Straightforward extension of PI controller
|
||||
- Main work is getting coefficients right
|
||||
- Testing requires careful problem selection
|
||||
|
||||
**Risk**: Low
|
||||
- Well-understood algorithm
|
||||
- Minimal code changes
|
||||
- Easy to validate
|
||||
|
||||
## Success Criteria
|
||||
|
||||
- [ ] Implements full PID formula correctly
|
||||
- [ ] Handles first/second step bootstrap
|
||||
- [ ] Shows improved stability on oscillatory test problem
|
||||
- [ ] Performance similar to PI on smooth problems
|
||||
- [ ] Error history management correct after rejections
|
||||
- [ ] Documentation complete with usage examples
|
||||
- [ ] Coefficient sets match literature values
|
||||
|
||||
## Future Enhancements
|
||||
|
||||
- [ ] Automatic coefficient selection based on problem characteristics
|
||||
- [ ] More sophisticated controllers (H0211b, predictive)
|
||||
- [ ] Limiter functions to prevent extreme changes
|
||||
- [ ] Per-algorithm default coefficients
|
||||
244
roadmap/features/05-discrete-callbacks.md
Normal file
244
roadmap/features/05-discrete-callbacks.md
Normal file
@@ -0,0 +1,244 @@
|
||||
# Feature: Discrete Callbacks
|
||||
|
||||
## Overview
|
||||
|
||||
Discrete callbacks trigger at discrete events based on conditions that don't require zero-crossing detection. Unlike continuous callbacks which detect sign changes, discrete callbacks check conditions at specific points (e.g., after each step, at specific times, when certain criteria are met).
|
||||
|
||||
**Key Characteristics:**
|
||||
- Condition-based (not zero-crossing)
|
||||
- Evaluated at discrete points (typically end of each step)
|
||||
- No interpolation or root-finding needed
|
||||
- Can trigger multiple times or once
|
||||
- Complementary to continuous callbacks
|
||||
|
||||
## Why This Feature Matters
|
||||
|
||||
- **Common use cases**: Time-based events, iteration limits, convergence criteria
|
||||
- **Simpler than continuous**: No root-finding overhead
|
||||
- **Essential for many simulations**: Parameter updates, logging, termination conditions
|
||||
- **Foundation for advanced callbacks**: Basis for SavingCallback, TerminateSteadyState, etc.
|
||||
|
||||
## Dependencies
|
||||
|
||||
- Existing callback infrastructure (continuous callbacks already implemented)
|
||||
|
||||
## Implementation Approach
|
||||
|
||||
### Callback Structure
|
||||
|
||||
```rust
|
||||
pub struct DiscreteCallback<'a, const D: usize, P> {
|
||||
/// Condition function: returns true when callback should fire
|
||||
pub condition: &'a dyn Fn(f64, SVector<f64, D>, &P) -> bool,
|
||||
|
||||
/// Effect function: modifies ODE state
|
||||
pub effect: &'a dyn Fn(&mut ODE<D, P>),
|
||||
|
||||
/// Fire only once, or every time condition is true
|
||||
pub single_trigger: bool,
|
||||
|
||||
/// Has this callback already fired? (for single_trigger)
|
||||
pub has_fired: bool,
|
||||
}
|
||||
```
|
||||
|
||||
### Evaluation Points
|
||||
|
||||
Discrete callbacks are checked:
|
||||
1. After each successful step
|
||||
2. Before continuous callback interpolation
|
||||
3. Can also check before step (for preset times)
|
||||
|
||||
### Interaction with Continuous Callbacks
|
||||
|
||||
Priority order:
|
||||
1. Discrete callbacks (checked first)
|
||||
2. Continuous callbacks (if any triggered, may interpolate backward)
|
||||
|
||||
### Key Differences from Continuous
|
||||
|
||||
| Aspect | Continuous | Discrete |
|
||||
|--------|-----------|----------|
|
||||
| Detection | Zero-crossing with root-finding | Boolean condition |
|
||||
| Timing | Exact (via interpolation) | At step boundaries |
|
||||
| Cost | Higher (root-finding) | Lower (simple check) |
|
||||
| Use case | Physical events | Logic-based events |
|
||||
|
||||
## Implementation Tasks
|
||||
|
||||
### Core Structure
|
||||
|
||||
- [ ] Define `DiscreteCallback` struct
|
||||
- [ ] Condition function field
|
||||
- [ ] Effect function field
|
||||
- [ ] `single_trigger` flag
|
||||
- [ ] `has_fired` state (if single_trigger)
|
||||
- [ ] Constructor
|
||||
|
||||
- [ ] Convenience constructors
|
||||
- [ ] `new()` - full specification
|
||||
- [ ] `repeating()` - always repeat
|
||||
- [ ] `single()` - fire once only
|
||||
|
||||
### Integration with Problem
|
||||
|
||||
- [ ] Update `Problem` to handle both callback types
|
||||
- [ ] Separate storage: `Vec<ContinuousCallback>` and `Vec<DiscreteCallback>`
|
||||
- [ ] Or unified `Callback` enum:
|
||||
```rust
|
||||
pub enum Callback<'a, const D: usize, P> {
|
||||
Continuous(ContinuousCallback<'a, D, P>),
|
||||
Discrete(DiscreteCallback<'a, D, P>),
|
||||
}
|
||||
```
|
||||
|
||||
- [ ] Update solver loop in `Problem::solve()`
|
||||
- [ ] After each successful step:
|
||||
- [ ] Check all discrete callbacks
|
||||
- [ ] If condition true and (!single_trigger || !has_fired):
|
||||
- [ ] Apply effect
|
||||
- [ ] Mark as fired if single_trigger
|
||||
- [ ] Then check continuous callbacks
|
||||
|
||||
### Standard Discrete Callbacks
|
||||
|
||||
Pre-built common callbacks:
|
||||
|
||||
- [ ] **`stop_at_time(t_stop)`**
|
||||
- [ ] Condition: `t >= t_stop`
|
||||
- [ ] Effect: `stop`
|
||||
- [ ] Single trigger: true
|
||||
|
||||
- [ ] **`max_iterations(n)`**
|
||||
- [ ] Requires iteration counter in Problem
|
||||
- [ ] Condition: `iteration >= n`
|
||||
- [ ] Effect: `stop`
|
||||
|
||||
- [ ] **`periodic(interval, effect)`**
|
||||
- [ ] Fires every `interval` time units
|
||||
- [ ] Requires state to track last fire time
|
||||
|
||||
### Testing
|
||||
|
||||
- [ ] **Basic discrete callback test**
|
||||
- [ ] Simple ODE
|
||||
- [ ] Callback that stops at t=5.0
|
||||
- [ ] Verify integration stops exactly at step containing t=5.0
|
||||
|
||||
- [ ] **Single trigger test**
|
||||
- [ ] Callback with single_trigger=true
|
||||
- [ ] Condition that becomes true, false, true again
|
||||
- [ ] Verify fires only once
|
||||
|
||||
- [ ] **Multiple triggers test**
|
||||
- [ ] Callback with single_trigger=false
|
||||
- [ ] Condition that oscillates
|
||||
- [ ] Verify fires each time condition is true
|
||||
|
||||
- [ ] **Combined callbacks test**
|
||||
- [ ] Both discrete and continuous callbacks
|
||||
- [ ] Verify both types work together
|
||||
- [ ] Discrete should fire first
|
||||
|
||||
- [ ] **State modification test**
|
||||
- [ ] Callback that modifies ODE parameters
|
||||
- [ ] Verify effect persists
|
||||
- [ ] Integration continues correctly
|
||||
|
||||
### Benchmarking
|
||||
|
||||
- [ ] Compare overhead vs no callbacks
|
||||
- [ ] Should be minimal (just boolean check)
|
||||
- [ ] Compare vs continuous callback for same logical event
|
||||
- [ ] Discrete should be faster
|
||||
|
||||
### Documentation
|
||||
|
||||
- [ ] Docstring explaining discrete vs continuous
|
||||
- [ ] When to use each type
|
||||
- [ ] Examples:
|
||||
- [ ] Stop at specific time
|
||||
- [ ] Parameter update every N time units
|
||||
- [ ] Terminate when condition met
|
||||
- [ ] Integration with CallbackSet (future)
|
||||
|
||||
## Testing Requirements
|
||||
|
||||
### Stop at Time Test
|
||||
|
||||
```rust
|
||||
fn test_stop_at_time() {
|
||||
let params = ();
|
||||
fn derivative(_t: f64, y: Vector1<f64>, _p: &()) -> Vector1<f64> {
|
||||
Vector1::new(y[0])
|
||||
}
|
||||
|
||||
let ode = ODE::new(&derivative, 0.0, 10.0, Vector1::new(1.0), ());
|
||||
let dp45 = DormandPrince45::new();
|
||||
let controller = PIController::default();
|
||||
|
||||
let stop_callback = DiscreteCallback::single(
|
||||
&|t: f64, _y, _p| t >= 5.0,
|
||||
&stop,
|
||||
);
|
||||
|
||||
let mut problem = Problem::new(ode, dp45, controller)
|
||||
.with_discrete_callback(stop_callback);
|
||||
let solution = problem.solve();
|
||||
|
||||
// Should stop at first step after t=5.0
|
||||
assert!(solution.times.last().unwrap() >= &5.0);
|
||||
assert!(solution.times.last().unwrap() < &5.5); // Reasonable step size
|
||||
}
|
||||
```
|
||||
|
||||
### Parameter Modification Test
|
||||
|
||||
```rust
|
||||
// Callback that changes parameter at t=5.0
|
||||
// Verify slope of solution changes at that point
|
||||
```
|
||||
|
||||
## References
|
||||
|
||||
1. **Julia Implementation**:
|
||||
- `DiffEqCallbacks.jl/src/discrete_callbacks.jl`
|
||||
- `OrdinaryDiffEq.jl` - check order of callback evaluation
|
||||
|
||||
2. **Design Patterns**:
|
||||
- "Event Handling in DifferentialEquations.jl"
|
||||
- DifferentialEquations.jl documentation on callback types
|
||||
|
||||
3. **Use Cases**:
|
||||
- Sundials documentation on user-supplied functions
|
||||
- MATLAB ODE event handling
|
||||
|
||||
## Complexity Estimate
|
||||
|
||||
**Effort**: Small (4-6 hours)
|
||||
- Relatively simple addition
|
||||
- Similar structure to existing continuous callbacks
|
||||
- Main work is integration and testing
|
||||
|
||||
**Risk**: Low
|
||||
- Straightforward concept
|
||||
- Minimal changes to solver core
|
||||
- Easy to test
|
||||
|
||||
## Success Criteria
|
||||
|
||||
- [ ] DiscreteCallback struct defined and documented
|
||||
- [ ] Integrated into Problem solve loop
|
||||
- [ ] Single-trigger functionality works correctly
|
||||
- [ ] Can combine with continuous callbacks
|
||||
- [ ] All tests pass
|
||||
- [ ] Performance overhead < 5%
|
||||
- [ ] Documentation with examples
|
||||
|
||||
## Future Enhancements
|
||||
|
||||
- [ ] CallbackSet for managing multiple callbacks
|
||||
- [ ] Priority/ordering for callback execution
|
||||
- [ ] PresetTimeCallback (fires at specific predetermined times)
|
||||
- [ ] Integration with save points (saveat)
|
||||
- [ ] Callback composition and chaining
|
||||
41
roadmap/features/06-callback-set.md
Normal file
41
roadmap/features/06-callback-set.md
Normal file
@@ -0,0 +1,41 @@
|
||||
# Feature: CallbackSet
|
||||
|
||||
## Overview
|
||||
|
||||
CallbackSet allows composing multiple callbacks (both continuous and discrete) with controlled ordering and execution priority. Essential for complex simulations with multiple events.
|
||||
|
||||
## Why This Feature Matters
|
||||
|
||||
- Manage multiple callbacks cleanly
|
||||
- Control execution order
|
||||
- Enable/disable callbacks dynamically
|
||||
- Foundation for advanced callback patterns
|
||||
|
||||
## Dependencies
|
||||
|
||||
- Discrete callbacks (feature #5)
|
||||
- Continuous callbacks (already implemented)
|
||||
|
||||
## Implementation Approach
|
||||
|
||||
```rust
|
||||
pub struct CallbackSet<'a, const D: usize, P> {
|
||||
continuous_callbacks: Vec<ContinuousCallback<'a, D, P>>,
|
||||
discrete_callbacks: Vec<DiscreteCallback<'a, D, P>>,
|
||||
// Optional: priority/ordering information
|
||||
}
|
||||
```
|
||||
|
||||
## Implementation Tasks
|
||||
|
||||
- [ ] Define CallbackSet struct
|
||||
- [ ] Builder pattern for adding callbacks
|
||||
- [ ] Execution order management
|
||||
- [ ] Integration with Problem solve loop
|
||||
- [ ] Testing with multiple callbacks
|
||||
- [ ] Documentation
|
||||
|
||||
## Complexity Estimate
|
||||
|
||||
**Effort**: Small (3-4 hours)
|
||||
**Risk**: Low
|
||||
51
roadmap/features/07-saveat-functionality.md
Normal file
51
roadmap/features/07-saveat-functionality.md
Normal file
@@ -0,0 +1,51 @@
|
||||
# Feature: Saveat Functionality
|
||||
|
||||
## Overview
|
||||
|
||||
Save solution at specific timepoints
|
||||
|
||||
## Why This Feature Matters
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Dependencies
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Approach
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Tasks
|
||||
|
||||
- [ ] Core implementation
|
||||
- [ ] Integration with existing code
|
||||
- [ ] Testing
|
||||
- [ ] Documentation
|
||||
- [ ] Benchmarking
|
||||
|
||||
## Testing Requirements
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## References
|
||||
|
||||
1. Julia implementation: OrdinaryDiffEq.jl
|
||||
2. (Additional references to be added)
|
||||
|
||||
## Complexity Estimate
|
||||
|
||||
**Effort**: Medium
|
||||
|
||||
**Risk**: (To be assessed)
|
||||
|
||||
## Success Criteria
|
||||
|
||||
- [ ] Implementation complete
|
||||
- [ ] Tests pass
|
||||
- [ ] Documentation written
|
||||
- [ ] Performance acceptable
|
||||
|
||||
## Future Enhancements
|
||||
|
||||
(To be identified)
|
||||
51
roadmap/features/10-fbdf-method.md
Normal file
51
roadmap/features/10-fbdf-method.md
Normal file
@@ -0,0 +1,51 @@
|
||||
# Feature: FBDF Method
|
||||
|
||||
## Overview
|
||||
|
||||
Fixed-leading-coefficient BDF for very stiff problems
|
||||
|
||||
## Why This Feature Matters
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Dependencies
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Approach
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Tasks
|
||||
|
||||
- [ ] Core implementation
|
||||
- [ ] Integration with existing code
|
||||
- [ ] Testing
|
||||
- [ ] Documentation
|
||||
- [ ] Benchmarking
|
||||
|
||||
## Testing Requirements
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## References
|
||||
|
||||
1. Julia implementation: OrdinaryDiffEq.jl
|
||||
2. (Additional references to be added)
|
||||
|
||||
## Complexity Estimate
|
||||
|
||||
**Effort**: Large
|
||||
|
||||
**Risk**: (To be assessed)
|
||||
|
||||
## Success Criteria
|
||||
|
||||
- [ ] Implementation complete
|
||||
- [ ] Tests pass
|
||||
- [ ] Documentation written
|
||||
- [ ] Performance acceptable
|
||||
|
||||
## Future Enhancements
|
||||
|
||||
(To be identified)
|
||||
51
roadmap/features/11-rodas4-rodas5p-methods.md
Normal file
51
roadmap/features/11-rodas4-rodas5p-methods.md
Normal file
@@ -0,0 +1,51 @@
|
||||
# Feature: Rodas4/Rodas5P Methods
|
||||
|
||||
## Overview
|
||||
|
||||
Higher-order Rosenbrock methods
|
||||
|
||||
## Why This Feature Matters
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Dependencies
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Approach
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Tasks
|
||||
|
||||
- [ ] Core implementation
|
||||
- [ ] Integration with existing code
|
||||
- [ ] Testing
|
||||
- [ ] Documentation
|
||||
- [ ] Benchmarking
|
||||
|
||||
## Testing Requirements
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## References
|
||||
|
||||
1. Julia implementation: OrdinaryDiffEq.jl
|
||||
2. (Additional references to be added)
|
||||
|
||||
## Complexity Estimate
|
||||
|
||||
**Effort**: Medium
|
||||
|
||||
**Risk**: (To be assessed)
|
||||
|
||||
## Success Criteria
|
||||
|
||||
- [ ] Implementation complete
|
||||
- [ ] Tests pass
|
||||
- [ ] Documentation written
|
||||
- [ ] Performance acceptable
|
||||
|
||||
## Future Enhancements
|
||||
|
||||
(To be identified)
|
||||
306
roadmap/features/12-auto-switching.md
Normal file
306
roadmap/features/12-auto-switching.md
Normal file
@@ -0,0 +1,306 @@
|
||||
# Feature: Auto-Switching & Stiffness Detection
|
||||
|
||||
## Overview
|
||||
|
||||
Automatic algorithm switching detects when a problem transitions between stiff and non-stiff regimes and switches to the appropriate solver automatically. This is one of the most powerful features for robust, user-friendly ODE solving.
|
||||
|
||||
**Key Characteristics:**
|
||||
- Automatic stiffness detection via eigenvalue estimation
|
||||
- Seamless switching between non-stiff and stiff solvers
|
||||
- CompositeAlgorithm infrastructure
|
||||
- Configurable switching criteria
|
||||
- Basis for DefaultODEAlgorithm (solve without specifying algorithm)
|
||||
|
||||
## Why This Feature Matters
|
||||
|
||||
- **User-friendly**: User doesn't need to know if problem is stiff
|
||||
- **Robustness**: Handles problems with changing character
|
||||
- **Efficiency**: Uses fast explicit methods when possible, switches to implicit when needed
|
||||
- **Production-ready**: Essential for general-purpose library
|
||||
- **Real problems**: Many problems are "mildly stiff" or transiently stiff
|
||||
|
||||
## Dependencies
|
||||
|
||||
### Required
|
||||
|
||||
- [ ] At least one stiff solver (Rosenbrock23 or FBDF)
|
||||
- [ ] At least two non-stiff solvers (have DP5, Tsit5)
|
||||
- [ ] BS3 recommended for completeness
|
||||
|
||||
### Recommended
|
||||
|
||||
- [ ] Vern7 for high-accuracy non-stiff
|
||||
- [ ] Rodas4 or Rodas5P for high-accuracy stiff
|
||||
- [ ] Multiple controllers (PI, PID)
|
||||
|
||||
## Implementation Approach
|
||||
|
||||
### Stiffness Detection
|
||||
|
||||
**Eigenvalue Estimation**:
|
||||
```
|
||||
ρ = ||δf|| / ||δy||
|
||||
```
|
||||
|
||||
Where:
|
||||
- δy = y_{n+1} - y_n
|
||||
- δf = f(t_{n+1}, y_{n+1}) - f(t_n, y_n)
|
||||
- ρ approximates spectral radius of Jacobian
|
||||
|
||||
**Stiffness ratio**:
|
||||
```
|
||||
S = |ρ * h| / stability_region_size
|
||||
```
|
||||
|
||||
If S > tolerance (e.g., 1.0), problem is stiff.
|
||||
|
||||
### Algorithm Switching Logic
|
||||
|
||||
1. **Detect stiffness** every few steps
|
||||
2. **Switch condition**: Stiffness detected for N consecutive steps
|
||||
3. **Switch back**: Non-stiffness detected for M consecutive steps
|
||||
4. **Hysteresis**: N < M to avoid chattering
|
||||
|
||||
Typical values:
|
||||
- N = 3-5 (switch to stiff solver)
|
||||
- M = 25-50 (switch back to non-stiff)
|
||||
|
||||
### CompositeAlgorithm Structure
|
||||
|
||||
```rust
|
||||
pub struct CompositeAlgorithm<NonStiff, Stiff> {
|
||||
pub nonstiff_alg: NonStiff,
|
||||
pub stiff_alg: Stiff,
|
||||
pub choice_function: AutoSwitchCache,
|
||||
}
|
||||
|
||||
pub struct AutoSwitchCache {
|
||||
pub current_algorithm: AlgorithmChoice,
|
||||
pub consecutive_stiff: usize,
|
||||
pub consecutive_nonstiff: usize,
|
||||
pub switch_to_stiff_threshold: usize,
|
||||
pub switch_to_nonstiff_threshold: usize,
|
||||
pub stiffness_tolerance: f64,
|
||||
}
|
||||
|
||||
pub enum AlgorithmChoice {
|
||||
NonStiff,
|
||||
Stiff,
|
||||
}
|
||||
```
|
||||
|
||||
### Implementation Challenges
|
||||
|
||||
1. **State transfer**: When switching, need to transfer state cleanly
|
||||
2. **Controller state**: Each algorithm may have different controller state
|
||||
3. **Interpolation**: Dense output from previous algorithm
|
||||
4. **First step**: Which algorithm to start with?
|
||||
|
||||
## Implementation Tasks
|
||||
|
||||
### Core Infrastructure
|
||||
|
||||
- [ ] Define `CompositeAlgorithm` struct
|
||||
- [ ] Generic over two integrator types
|
||||
- [ ] Store both algorithms
|
||||
- [ ] Store switching logic state
|
||||
|
||||
- [ ] Define `AutoSwitchCache`
|
||||
- [ ] Current algorithm choice
|
||||
- [ ] Consecutive step counters
|
||||
- [ ] Thresholds
|
||||
- [ ] Stiffness tolerance
|
||||
|
||||
- [ ] Implement switching logic
|
||||
- [ ] Eigenvalue estimation function
|
||||
- [ ] Stiffness detection
|
||||
- [ ] Decision to switch
|
||||
- [ ] Reset counters appropriately
|
||||
|
||||
### Integrator Changes
|
||||
|
||||
- [ ] Modify `Problem` to work with composite algorithms
|
||||
- [ ] May need `IntegratorEnum` or dynamic dispatch
|
||||
- [ ] Or: make Problem generic and handle in solve loop
|
||||
|
||||
- [ ] State transfer mechanism
|
||||
- [ ] Transfer y, t from one integrator to other
|
||||
- [ ] Transfer/reset controller state
|
||||
- [ ] Clear interpolation data
|
||||
|
||||
- [ ] Solve loop modifications
|
||||
- [ ] Check for switch every N steps
|
||||
- [ ] Perform switch if needed
|
||||
- [ ] Continue with new algorithm
|
||||
|
||||
### Eigenvalue Estimation
|
||||
|
||||
- [ ] Implement basic estimator
|
||||
- [ ] Track previous f evaluation
|
||||
- [ ] Compute ρ = ||δf|| / ||δy||
|
||||
- [ ] Update estimate smoothly (exponential moving average)
|
||||
|
||||
- [ ] Handle edge cases
|
||||
- [ ] Very small ||δy||
|
||||
- [ ] First step (no history)
|
||||
- [ ] After callback event
|
||||
|
||||
### Default Algorithm
|
||||
|
||||
- [ ] `AutoAlgSwitch` function/constructor
|
||||
- [ ] Takes tuple of non-stiff algorithms
|
||||
- [ ] Takes tuple of stiff algorithms
|
||||
- [ ] Returns CompositeAlgorithm
|
||||
- [ ] With default switching parameters
|
||||
|
||||
- [ ] `DefaultODEAlgorithm` (future)
|
||||
- [ ] Analyzes problem
|
||||
- [ ] Selects algorithms based on size, tolerance
|
||||
- [ ] Returns configured CompositeAlgorithm
|
||||
|
||||
### Testing
|
||||
|
||||
- [ ] **Transiently stiff problem**
|
||||
- [ ] Starts non-stiff, becomes stiff, then non-stiff again
|
||||
- [ ] Example: Van der Pol with time-varying μ
|
||||
- [ ] Verify switches at right times
|
||||
- [ ] Verify solution accuracy throughout
|
||||
|
||||
- [ ] **Always non-stiff problem**
|
||||
- [ ] Should never switch to stiff solver
|
||||
- [ ] Verify minimal overhead
|
||||
|
||||
- [ ] **Always stiff problem**
|
||||
- [ ] Should switch to stiff early
|
||||
- [ ] Stay on stiff solver
|
||||
|
||||
- [ ] **Chattering prevention**
|
||||
- [ ] Problem near stiffness boundary
|
||||
- [ ] Verify doesn't switch back and forth rapidly
|
||||
- [ ] Hysteresis should prevent chattering
|
||||
|
||||
- [ ] **State transfer test**
|
||||
- [ ] Switch mid-integration
|
||||
- [ ] Verify no discontinuity in solution
|
||||
- [ ] Interpolation works across switch
|
||||
|
||||
- [ ] **Comparison test**
|
||||
- [ ] Run transient stiff problem three ways:
|
||||
- [ ] Auto-switching
|
||||
- [ ] Non-stiff only (should fail or be very slow)
|
||||
- [ ] Stiff only (should work but possibly slower)
|
||||
- [ ] Auto-switching should be nearly optimal
|
||||
|
||||
### Benchmarking
|
||||
|
||||
- [ ] ROBER problem (chemistry, transiently stiff)
|
||||
- [ ] HIRES problem (atmospheric chemistry)
|
||||
- [ ] Compare to manual algorithm selection
|
||||
- [ ] Measure switching overhead
|
||||
|
||||
### Documentation
|
||||
|
||||
- [ ] Explain stiffness detection
|
||||
- [ ] Document switching thresholds
|
||||
- [ ] When auto-switching helps vs hurts
|
||||
- [ ] Examples with different problem types
|
||||
- [ ] How to configure switching parameters
|
||||
|
||||
## Testing Requirements
|
||||
|
||||
### Transient Stiffness Test
|
||||
|
||||
Van der Pol oscillator with time-varying stiffness:
|
||||
|
||||
```rust
|
||||
// μ(t) = 100 for t < 20
|
||||
// μ(t) = 1 for 20 <= t < 40
|
||||
// μ(t) = 100 for t >= 40
|
||||
```
|
||||
|
||||
Expected behavior:
|
||||
- Start with non-stiff (or quickly switch to stiff)
|
||||
- Switch to non-stiff around t=20
|
||||
- Switch back to stiff around t=40
|
||||
- Solution remains accurate throughout
|
||||
|
||||
Track:
|
||||
- When switches occur
|
||||
- Number of switches
|
||||
- Total steps with each algorithm
|
||||
|
||||
### ROBER Problem
|
||||
|
||||
Robertson chemical kinetics:
|
||||
```
|
||||
y1' = -0.04*y1 + 1e4*y2*y3
|
||||
y2' = 0.04*y1 - 1e4*y2*y3 - 3e7*y2²
|
||||
y3' = 3e7*y2²
|
||||
```
|
||||
|
||||
Very stiff initially, becomes less stiff.
|
||||
|
||||
Expected: Should start with (or quickly switch to) stiff solver.
|
||||
|
||||
## References
|
||||
|
||||
1. **Stiffness Detection**:
|
||||
- Shampine, L.F. (1977)
|
||||
- "Stiffness and Non-stiff Differential Equation Solvers, II"
|
||||
- Applied Numerical Mathematics
|
||||
|
||||
2. **Auto-switching Algorithms**:
|
||||
- Hairer & Wanner (1996), "Solving ODEs II", Section IV.3
|
||||
- Discussion of when to use stiff solvers
|
||||
|
||||
3. **Julia Implementation**:
|
||||
- `OrdinaryDiffEq.jl/lib/OrdinaryDiffEqDefault/src/default_alg.jl`
|
||||
- `AutoAlgSwitch` and `default_autoswitch` functions
|
||||
|
||||
4. **MATLAB's ode45/ode15s switching**:
|
||||
- MATLAB documentation on automatic solver selection
|
||||
|
||||
## Complexity Estimate
|
||||
|
||||
**Effort**: Large (15-25 hours)
|
||||
- Composite algorithm infrastructure: 6-8 hours
|
||||
- Stiffness detection: 4-6 hours
|
||||
- Switching logic and state transfer: 5-8 hours
|
||||
- Testing and tuning: 4-6 hours
|
||||
|
||||
**Risk**: Medium-High
|
||||
- Complexity in state transfer
|
||||
- Getting switching criteria right requires tuning
|
||||
- Interaction with controllers needs care
|
||||
- Edge cases (callbacks during switch, etc.)
|
||||
|
||||
## Success Criteria
|
||||
|
||||
- [ ] Handles transiently stiff problems automatically
|
||||
- [ ] Switches at appropriate times
|
||||
- [ ] No chattering between algorithms
|
||||
- [ ] Solution accuracy maintained across switches
|
||||
- [ ] Overhead < 10% on problems that don't need switching
|
||||
- [ ] Performance within 20% of manual optimal selection
|
||||
- [ ] Documentation complete with examples
|
||||
- [ ] Robust to edge cases
|
||||
|
||||
## Future Enhancements
|
||||
|
||||
- [ ] More sophisticated stiffness detection
|
||||
- [ ] Multiple detection methods
|
||||
- [ ] Learning from past behavior
|
||||
|
||||
- [ ] Multi-algorithm selection
|
||||
- [ ] More than 2 algorithms (low/medium/high accuracy)
|
||||
- [ ] Tolerance-based selection
|
||||
|
||||
- [ ] Automatic tolerance selection
|
||||
|
||||
- [ ] Problem analysis at start
|
||||
- [ ] Estimate problem size effect
|
||||
- [ ] Sparsity detection
|
||||
- [ ] Initial algorithm recommendation
|
||||
|
||||
- [ ] DefaultODEAlgorithm with full analysis
|
||||
- [ ] Based on problem size, tolerance, mass matrix, etc.
|
||||
51
roadmap/features/13-default-algorithm-selection.md
Normal file
51
roadmap/features/13-default-algorithm-selection.md
Normal file
@@ -0,0 +1,51 @@
|
||||
# Feature: Default Algorithm Selection
|
||||
|
||||
## Overview
|
||||
|
||||
Smart defaults based on problem characteristics
|
||||
|
||||
## Why This Feature Matters
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Dependencies
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Approach
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Tasks
|
||||
|
||||
- [ ] Core implementation
|
||||
- [ ] Integration with existing code
|
||||
- [ ] Testing
|
||||
- [ ] Documentation
|
||||
- [ ] Benchmarking
|
||||
|
||||
## Testing Requirements
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## References
|
||||
|
||||
1. Julia implementation: OrdinaryDiffEq.jl
|
||||
2. (Additional references to be added)
|
||||
|
||||
## Complexity Estimate
|
||||
|
||||
**Effort**: Medium
|
||||
|
||||
**Risk**: (To be assessed)
|
||||
|
||||
## Success Criteria
|
||||
|
||||
- [ ] Implementation complete
|
||||
- [ ] Tests pass
|
||||
- [ ] Documentation written
|
||||
- [ ] Performance acceptable
|
||||
|
||||
## Future Enhancements
|
||||
|
||||
(To be identified)
|
||||
51
roadmap/features/14-automatic-initial-step-size.md
Normal file
51
roadmap/features/14-automatic-initial-step-size.md
Normal file
@@ -0,0 +1,51 @@
|
||||
# Feature: Automatic Initial Step Size
|
||||
|
||||
## Overview
|
||||
|
||||
Algorithm to determine good initial dt
|
||||
|
||||
## Why This Feature Matters
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Dependencies
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Approach
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Tasks
|
||||
|
||||
- [ ] Core implementation
|
||||
- [ ] Integration with existing code
|
||||
- [ ] Testing
|
||||
- [ ] Documentation
|
||||
- [ ] Benchmarking
|
||||
|
||||
## Testing Requirements
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## References
|
||||
|
||||
1. Julia implementation: OrdinaryDiffEq.jl
|
||||
2. (Additional references to be added)
|
||||
|
||||
## Complexity Estimate
|
||||
|
||||
**Effort**: Medium
|
||||
|
||||
**Risk**: (To be assessed)
|
||||
|
||||
## Success Criteria
|
||||
|
||||
- [ ] Implementation complete
|
||||
- [ ] Tests pass
|
||||
- [ ] Documentation written
|
||||
- [ ] Performance acceptable
|
||||
|
||||
## Future Enhancements
|
||||
|
||||
(To be identified)
|
||||
51
roadmap/features/15-presettimecallback.md
Normal file
51
roadmap/features/15-presettimecallback.md
Normal file
@@ -0,0 +1,51 @@
|
||||
# Feature: PresetTimeCallback
|
||||
|
||||
## Overview
|
||||
|
||||
Callbacks at predetermined times
|
||||
|
||||
## Why This Feature Matters
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Dependencies
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Approach
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Tasks
|
||||
|
||||
- [ ] Core implementation
|
||||
- [ ] Integration with existing code
|
||||
- [ ] Testing
|
||||
- [ ] Documentation
|
||||
- [ ] Benchmarking
|
||||
|
||||
## Testing Requirements
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## References
|
||||
|
||||
1. Julia implementation: OrdinaryDiffEq.jl
|
||||
2. (Additional references to be added)
|
||||
|
||||
## Complexity Estimate
|
||||
|
||||
**Effort**: Small
|
||||
|
||||
**Risk**: (To be assessed)
|
||||
|
||||
## Success Criteria
|
||||
|
||||
- [ ] Implementation complete
|
||||
- [ ] Tests pass
|
||||
- [ ] Documentation written
|
||||
- [ ] Performance acceptable
|
||||
|
||||
## Future Enhancements
|
||||
|
||||
(To be identified)
|
||||
51
roadmap/features/16-terminatesteadystate.md
Normal file
51
roadmap/features/16-terminatesteadystate.md
Normal file
@@ -0,0 +1,51 @@
|
||||
# Feature: TerminateSteadyState
|
||||
|
||||
## Overview
|
||||
|
||||
Auto-detect steady state
|
||||
|
||||
## Why This Feature Matters
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Dependencies
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Approach
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Tasks
|
||||
|
||||
- [ ] Core implementation
|
||||
- [ ] Integration with existing code
|
||||
- [ ] Testing
|
||||
- [ ] Documentation
|
||||
- [ ] Benchmarking
|
||||
|
||||
## Testing Requirements
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## References
|
||||
|
||||
1. Julia implementation: OrdinaryDiffEq.jl
|
||||
2. (Additional references to be added)
|
||||
|
||||
## Complexity Estimate
|
||||
|
||||
**Effort**: Small
|
||||
|
||||
**Risk**: (To be assessed)
|
||||
|
||||
## Success Criteria
|
||||
|
||||
- [ ] Implementation complete
|
||||
- [ ] Tests pass
|
||||
- [ ] Documentation written
|
||||
- [ ] Performance acceptable
|
||||
|
||||
## Future Enhancements
|
||||
|
||||
(To be identified)
|
||||
51
roadmap/features/17-savingcallback.md
Normal file
51
roadmap/features/17-savingcallback.md
Normal file
@@ -0,0 +1,51 @@
|
||||
# Feature: SavingCallback
|
||||
|
||||
## Overview
|
||||
|
||||
Custom saving logic
|
||||
|
||||
## Why This Feature Matters
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Dependencies
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Approach
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Tasks
|
||||
|
||||
- [ ] Core implementation
|
||||
- [ ] Integration with existing code
|
||||
- [ ] Testing
|
||||
- [ ] Documentation
|
||||
- [ ] Benchmarking
|
||||
|
||||
## Testing Requirements
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## References
|
||||
|
||||
1. Julia implementation: OrdinaryDiffEq.jl
|
||||
2. (Additional references to be added)
|
||||
|
||||
## Complexity Estimate
|
||||
|
||||
**Effort**: Small
|
||||
|
||||
**Risk**: (To be assessed)
|
||||
|
||||
## Success Criteria
|
||||
|
||||
- [ ] Implementation complete
|
||||
- [ ] Tests pass
|
||||
- [ ] Documentation written
|
||||
- [ ] Performance acceptable
|
||||
|
||||
## Future Enhancements
|
||||
|
||||
(To be identified)
|
||||
51
roadmap/features/18-linear-solver-infrastructure.md
Normal file
51
roadmap/features/18-linear-solver-infrastructure.md
Normal file
@@ -0,0 +1,51 @@
|
||||
# Feature: Linear Solver Infrastructure
|
||||
|
||||
## Overview
|
||||
|
||||
Generic linear solver interface and dense LU
|
||||
|
||||
## Why This Feature Matters
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Dependencies
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Approach
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Tasks
|
||||
|
||||
- [ ] Core implementation
|
||||
- [ ] Integration with existing code
|
||||
- [ ] Testing
|
||||
- [ ] Documentation
|
||||
- [ ] Benchmarking
|
||||
|
||||
## Testing Requirements
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## References
|
||||
|
||||
1. Julia implementation: OrdinaryDiffEq.jl
|
||||
2. (Additional references to be added)
|
||||
|
||||
## Complexity Estimate
|
||||
|
||||
**Effort**: Large
|
||||
|
||||
**Risk**: (To be assessed)
|
||||
|
||||
## Success Criteria
|
||||
|
||||
- [ ] Implementation complete
|
||||
- [ ] Tests pass
|
||||
- [ ] Documentation written
|
||||
- [ ] Performance acceptable
|
||||
|
||||
## Future Enhancements
|
||||
|
||||
(To be identified)
|
||||
51
roadmap/features/19-jacobian-computation.md
Normal file
51
roadmap/features/19-jacobian-computation.md
Normal file
@@ -0,0 +1,51 @@
|
||||
# Feature: Jacobian Computation
|
||||
|
||||
## Overview
|
||||
|
||||
Finite difference and auto-diff Jacobians
|
||||
|
||||
## Why This Feature Matters
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Dependencies
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Approach
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Tasks
|
||||
|
||||
- [ ] Core implementation
|
||||
- [ ] Integration with existing code
|
||||
- [ ] Testing
|
||||
- [ ] Documentation
|
||||
- [ ] Benchmarking
|
||||
|
||||
## Testing Requirements
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## References
|
||||
|
||||
1. Julia implementation: OrdinaryDiffEq.jl
|
||||
2. (Additional references to be added)
|
||||
|
||||
## Complexity Estimate
|
||||
|
||||
**Effort**: Large
|
||||
|
||||
**Risk**: (To be assessed)
|
||||
|
||||
## Success Criteria
|
||||
|
||||
- [ ] Implementation complete
|
||||
- [ ] Tests pass
|
||||
- [ ] Documentation written
|
||||
- [ ] Performance acceptable
|
||||
|
||||
## Future Enhancements
|
||||
|
||||
(To be identified)
|
||||
51
roadmap/features/20-low-storage-runge-kutta.md
Normal file
51
roadmap/features/20-low-storage-runge-kutta.md
Normal file
@@ -0,0 +1,51 @@
|
||||
# Feature: Low-Storage Runge-Kutta
|
||||
|
||||
## Overview
|
||||
|
||||
2N/3N storage variants for large systems
|
||||
|
||||
## Why This Feature Matters
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Dependencies
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Approach
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Tasks
|
||||
|
||||
- [ ] Core implementation
|
||||
- [ ] Integration with existing code
|
||||
- [ ] Testing
|
||||
- [ ] Documentation
|
||||
- [ ] Benchmarking
|
||||
|
||||
## Testing Requirements
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## References
|
||||
|
||||
1. Julia implementation: OrdinaryDiffEq.jl
|
||||
2. (Additional references to be added)
|
||||
|
||||
## Complexity Estimate
|
||||
|
||||
**Effort**: Medium
|
||||
|
||||
**Risk**: (To be assessed)
|
||||
|
||||
## Success Criteria
|
||||
|
||||
- [ ] Implementation complete
|
||||
- [ ] Tests pass
|
||||
- [ ] Documentation written
|
||||
- [ ] Performance acceptable
|
||||
|
||||
## Future Enhancements
|
||||
|
||||
(To be identified)
|
||||
51
roadmap/features/21-ssp-methods.md
Normal file
51
roadmap/features/21-ssp-methods.md
Normal file
@@ -0,0 +1,51 @@
|
||||
# Feature: SSP Methods
|
||||
|
||||
## Overview
|
||||
|
||||
Strong Stability Preserving methods
|
||||
|
||||
## Why This Feature Matters
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Dependencies
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Approach
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Tasks
|
||||
|
||||
- [ ] Core implementation
|
||||
- [ ] Integration with existing code
|
||||
- [ ] Testing
|
||||
- [ ] Documentation
|
||||
- [ ] Benchmarking
|
||||
|
||||
## Testing Requirements
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## References
|
||||
|
||||
1. Julia implementation: OrdinaryDiffEq.jl
|
||||
2. (Additional references to be added)
|
||||
|
||||
## Complexity Estimate
|
||||
|
||||
**Effort**: Medium
|
||||
|
||||
**Risk**: (To be assessed)
|
||||
|
||||
## Success Criteria
|
||||
|
||||
- [ ] Implementation complete
|
||||
- [ ] Tests pass
|
||||
- [ ] Documentation written
|
||||
- [ ] Performance acceptable
|
||||
|
||||
## Future Enhancements
|
||||
|
||||
(To be identified)
|
||||
51
roadmap/features/22-symplectic-integrators.md
Normal file
51
roadmap/features/22-symplectic-integrators.md
Normal file
@@ -0,0 +1,51 @@
|
||||
# Feature: Symplectic Integrators
|
||||
|
||||
## Overview
|
||||
|
||||
Verlet, Leapfrog, KahanLi for Hamiltonian systems
|
||||
|
||||
## Why This Feature Matters
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Dependencies
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Approach
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Tasks
|
||||
|
||||
- [ ] Core implementation
|
||||
- [ ] Integration with existing code
|
||||
- [ ] Testing
|
||||
- [ ] Documentation
|
||||
- [ ] Benchmarking
|
||||
|
||||
## Testing Requirements
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## References
|
||||
|
||||
1. Julia implementation: OrdinaryDiffEq.jl
|
||||
2. (Additional references to be added)
|
||||
|
||||
## Complexity Estimate
|
||||
|
||||
**Effort**: Medium
|
||||
|
||||
**Risk**: (To be assessed)
|
||||
|
||||
## Success Criteria
|
||||
|
||||
- [ ] Implementation complete
|
||||
- [ ] Tests pass
|
||||
- [ ] Documentation written
|
||||
- [ ] Performance acceptable
|
||||
|
||||
## Future Enhancements
|
||||
|
||||
(To be identified)
|
||||
51
roadmap/features/23-verner-methods-suite.md
Normal file
51
roadmap/features/23-verner-methods-suite.md
Normal file
@@ -0,0 +1,51 @@
|
||||
# Feature: Verner Methods Suite
|
||||
|
||||
## Overview
|
||||
|
||||
Vern6, Vern8, Vern9
|
||||
|
||||
## Why This Feature Matters
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Dependencies
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Approach
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Tasks
|
||||
|
||||
- [ ] Core implementation
|
||||
- [ ] Integration with existing code
|
||||
- [ ] Testing
|
||||
- [ ] Documentation
|
||||
- [ ] Benchmarking
|
||||
|
||||
## Testing Requirements
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## References
|
||||
|
||||
1. Julia implementation: OrdinaryDiffEq.jl
|
||||
2. (Additional references to be added)
|
||||
|
||||
## Complexity Estimate
|
||||
|
||||
**Effort**: Medium
|
||||
|
||||
**Risk**: (To be assessed)
|
||||
|
||||
## Success Criteria
|
||||
|
||||
- [ ] Implementation complete
|
||||
- [ ] Tests pass
|
||||
- [ ] Documentation written
|
||||
- [ ] Performance acceptable
|
||||
|
||||
## Future Enhancements
|
||||
|
||||
(To be identified)
|
||||
51
roadmap/features/24-sdirk-methods.md
Normal file
51
roadmap/features/24-sdirk-methods.md
Normal file
@@ -0,0 +1,51 @@
|
||||
# Feature: SDIRK Methods
|
||||
|
||||
## Overview
|
||||
|
||||
KenCarp3/4/5 for stiff problems
|
||||
|
||||
## Why This Feature Matters
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Dependencies
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Approach
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Tasks
|
||||
|
||||
- [ ] Core implementation
|
||||
- [ ] Integration with existing code
|
||||
- [ ] Testing
|
||||
- [ ] Documentation
|
||||
- [ ] Benchmarking
|
||||
|
||||
## Testing Requirements
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## References
|
||||
|
||||
1. Julia implementation: OrdinaryDiffEq.jl
|
||||
2. (Additional references to be added)
|
||||
|
||||
## Complexity Estimate
|
||||
|
||||
**Effort**: Large
|
||||
|
||||
**Risk**: (To be assessed)
|
||||
|
||||
## Success Criteria
|
||||
|
||||
- [ ] Implementation complete
|
||||
- [ ] Tests pass
|
||||
- [ ] Documentation written
|
||||
- [ ] Performance acceptable
|
||||
|
||||
## Future Enhancements
|
||||
|
||||
(To be identified)
|
||||
51
roadmap/features/25-exponential-integrators.md
Normal file
51
roadmap/features/25-exponential-integrators.md
Normal file
@@ -0,0 +1,51 @@
|
||||
# Feature: Exponential Integrators
|
||||
|
||||
## Overview
|
||||
|
||||
Exp4, EPIRK4 for semi-linear problems
|
||||
|
||||
## Why This Feature Matters
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Dependencies
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Approach
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Tasks
|
||||
|
||||
- [ ] Core implementation
|
||||
- [ ] Integration with existing code
|
||||
- [ ] Testing
|
||||
- [ ] Documentation
|
||||
- [ ] Benchmarking
|
||||
|
||||
## Testing Requirements
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## References
|
||||
|
||||
1. Julia implementation: OrdinaryDiffEq.jl
|
||||
2. (Additional references to be added)
|
||||
|
||||
## Complexity Estimate
|
||||
|
||||
**Effort**: Large
|
||||
|
||||
**Risk**: (To be assessed)
|
||||
|
||||
## Success Criteria
|
||||
|
||||
- [ ] Implementation complete
|
||||
- [ ] Tests pass
|
||||
- [ ] Documentation written
|
||||
- [ ] Performance acceptable
|
||||
|
||||
## Future Enhancements
|
||||
|
||||
(To be identified)
|
||||
51
roadmap/features/26-extrapolation-methods.md
Normal file
51
roadmap/features/26-extrapolation-methods.md
Normal file
@@ -0,0 +1,51 @@
|
||||
# Feature: Extrapolation Methods
|
||||
|
||||
## Overview
|
||||
|
||||
Richardson extrapolation with adaptive order
|
||||
|
||||
## Why This Feature Matters
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Dependencies
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Approach
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Tasks
|
||||
|
||||
- [ ] Core implementation
|
||||
- [ ] Integration with existing code
|
||||
- [ ] Testing
|
||||
- [ ] Documentation
|
||||
- [ ] Benchmarking
|
||||
|
||||
## Testing Requirements
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## References
|
||||
|
||||
1. Julia implementation: OrdinaryDiffEq.jl
|
||||
2. (Additional references to be added)
|
||||
|
||||
## Complexity Estimate
|
||||
|
||||
**Effort**: Large
|
||||
|
||||
**Risk**: (To be assessed)
|
||||
|
||||
## Success Criteria
|
||||
|
||||
- [ ] Implementation complete
|
||||
- [ ] Tests pass
|
||||
- [ ] Documentation written
|
||||
- [ ] Performance acceptable
|
||||
|
||||
## Future Enhancements
|
||||
|
||||
(To be identified)
|
||||
51
roadmap/features/27-stabilized-methods.md
Normal file
51
roadmap/features/27-stabilized-methods.md
Normal file
@@ -0,0 +1,51 @@
|
||||
# Feature: Stabilized Methods
|
||||
|
||||
## Overview
|
||||
|
||||
ROCK2, ROCK4, RKC for mildly stiff
|
||||
|
||||
## Why This Feature Matters
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Dependencies
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Approach
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Tasks
|
||||
|
||||
- [ ] Core implementation
|
||||
- [ ] Integration with existing code
|
||||
- [ ] Testing
|
||||
- [ ] Documentation
|
||||
- [ ] Benchmarking
|
||||
|
||||
## Testing Requirements
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## References
|
||||
|
||||
1. Julia implementation: OrdinaryDiffEq.jl
|
||||
2. (Additional references to be added)
|
||||
|
||||
## Complexity Estimate
|
||||
|
||||
**Effort**: Medium
|
||||
|
||||
**Risk**: (To be assessed)
|
||||
|
||||
## Success Criteria
|
||||
|
||||
- [ ] Implementation complete
|
||||
- [ ] Tests pass
|
||||
- [ ] Documentation written
|
||||
- [ ] Performance acceptable
|
||||
|
||||
## Future Enhancements
|
||||
|
||||
(To be identified)
|
||||
51
roadmap/features/28-i-controller.md
Normal file
51
roadmap/features/28-i-controller.md
Normal file
@@ -0,0 +1,51 @@
|
||||
# Feature: I Controller
|
||||
|
||||
## Overview
|
||||
|
||||
Basic integral controller
|
||||
|
||||
## Why This Feature Matters
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Dependencies
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Approach
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Tasks
|
||||
|
||||
- [ ] Core implementation
|
||||
- [ ] Integration with existing code
|
||||
- [ ] Testing
|
||||
- [ ] Documentation
|
||||
- [ ] Benchmarking
|
||||
|
||||
## Testing Requirements
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## References
|
||||
|
||||
1. Julia implementation: OrdinaryDiffEq.jl
|
||||
2. (Additional references to be added)
|
||||
|
||||
## Complexity Estimate
|
||||
|
||||
**Effort**: Small
|
||||
|
||||
**Risk**: (To be assessed)
|
||||
|
||||
## Success Criteria
|
||||
|
||||
- [ ] Implementation complete
|
||||
- [ ] Tests pass
|
||||
- [ ] Documentation written
|
||||
- [ ] Performance acceptable
|
||||
|
||||
## Future Enhancements
|
||||
|
||||
(To be identified)
|
||||
51
roadmap/features/29-predictive-controller.md
Normal file
51
roadmap/features/29-predictive-controller.md
Normal file
@@ -0,0 +1,51 @@
|
||||
# Feature: Predictive Controller
|
||||
|
||||
## Overview
|
||||
|
||||
Advanced predictive controller
|
||||
|
||||
## Why This Feature Matters
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Dependencies
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Approach
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Tasks
|
||||
|
||||
- [ ] Core implementation
|
||||
- [ ] Integration with existing code
|
||||
- [ ] Testing
|
||||
- [ ] Documentation
|
||||
- [ ] Benchmarking
|
||||
|
||||
## Testing Requirements
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## References
|
||||
|
||||
1. Julia implementation: OrdinaryDiffEq.jl
|
||||
2. (Additional references to be added)
|
||||
|
||||
## Complexity Estimate
|
||||
|
||||
**Effort**: Medium
|
||||
|
||||
**Risk**: (To be assessed)
|
||||
|
||||
## Success Criteria
|
||||
|
||||
- [ ] Implementation complete
|
||||
- [ ] Tests pass
|
||||
- [ ] Documentation written
|
||||
- [ ] Performance acceptable
|
||||
|
||||
## Future Enhancements
|
||||
|
||||
(To be identified)
|
||||
51
roadmap/features/30-vectorcontinuouscallback.md
Normal file
51
roadmap/features/30-vectorcontinuouscallback.md
Normal file
@@ -0,0 +1,51 @@
|
||||
# Feature: VectorContinuousCallback
|
||||
|
||||
## Overview
|
||||
|
||||
Multiple simultaneous events
|
||||
|
||||
## Why This Feature Matters
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Dependencies
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Approach
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Tasks
|
||||
|
||||
- [ ] Core implementation
|
||||
- [ ] Integration with existing code
|
||||
- [ ] Testing
|
||||
- [ ] Documentation
|
||||
- [ ] Benchmarking
|
||||
|
||||
## Testing Requirements
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## References
|
||||
|
||||
1. Julia implementation: OrdinaryDiffEq.jl
|
||||
2. (Additional references to be added)
|
||||
|
||||
## Complexity Estimate
|
||||
|
||||
**Effort**: Medium
|
||||
|
||||
**Risk**: (To be assessed)
|
||||
|
||||
## Success Criteria
|
||||
|
||||
- [ ] Implementation complete
|
||||
- [ ] Tests pass
|
||||
- [ ] Documentation written
|
||||
- [ ] Performance acceptable
|
||||
|
||||
## Future Enhancements
|
||||
|
||||
(To be identified)
|
||||
51
roadmap/features/31-positivedomain.md
Normal file
51
roadmap/features/31-positivedomain.md
Normal file
@@ -0,0 +1,51 @@
|
||||
# Feature: PositiveDomain
|
||||
|
||||
## Overview
|
||||
|
||||
Enforce positivity constraints
|
||||
|
||||
## Why This Feature Matters
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Dependencies
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Approach
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Tasks
|
||||
|
||||
- [ ] Core implementation
|
||||
- [ ] Integration with existing code
|
||||
- [ ] Testing
|
||||
- [ ] Documentation
|
||||
- [ ] Benchmarking
|
||||
|
||||
## Testing Requirements
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## References
|
||||
|
||||
1. Julia implementation: OrdinaryDiffEq.jl
|
||||
2. (Additional references to be added)
|
||||
|
||||
## Complexity Estimate
|
||||
|
||||
**Effort**: Small
|
||||
|
||||
**Risk**: (To be assessed)
|
||||
|
||||
## Success Criteria
|
||||
|
||||
- [ ] Implementation complete
|
||||
- [ ] Tests pass
|
||||
- [ ] Documentation written
|
||||
- [ ] Performance acceptable
|
||||
|
||||
## Future Enhancements
|
||||
|
||||
(To be identified)
|
||||
51
roadmap/features/32-manifoldprojection.md
Normal file
51
roadmap/features/32-manifoldprojection.md
Normal file
@@ -0,0 +1,51 @@
|
||||
# Feature: ManifoldProjection
|
||||
|
||||
## Overview
|
||||
|
||||
Project onto constraint manifolds
|
||||
|
||||
## Why This Feature Matters
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Dependencies
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Approach
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Tasks
|
||||
|
||||
- [ ] Core implementation
|
||||
- [ ] Integration with existing code
|
||||
- [ ] Testing
|
||||
- [ ] Documentation
|
||||
- [ ] Benchmarking
|
||||
|
||||
## Testing Requirements
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## References
|
||||
|
||||
1. Julia implementation: OrdinaryDiffEq.jl
|
||||
2. (Additional references to be added)
|
||||
|
||||
## Complexity Estimate
|
||||
|
||||
**Effort**: Medium
|
||||
|
||||
**Risk**: (To be assessed)
|
||||
|
||||
## Success Criteria
|
||||
|
||||
- [ ] Implementation complete
|
||||
- [ ] Tests pass
|
||||
- [ ] Documentation written
|
||||
- [ ] Performance acceptable
|
||||
|
||||
## Future Enhancements
|
||||
|
||||
(To be identified)
|
||||
51
roadmap/features/33-nonlinear-solver-infrastructure.md
Normal file
51
roadmap/features/33-nonlinear-solver-infrastructure.md
Normal file
@@ -0,0 +1,51 @@
|
||||
# Feature: Nonlinear Solver Infrastructure
|
||||
|
||||
## Overview
|
||||
|
||||
Newton and quasi-Newton methods
|
||||
|
||||
## Why This Feature Matters
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Dependencies
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Approach
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Tasks
|
||||
|
||||
- [ ] Core implementation
|
||||
- [ ] Integration with existing code
|
||||
- [ ] Testing
|
||||
- [ ] Documentation
|
||||
- [ ] Benchmarking
|
||||
|
||||
## Testing Requirements
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## References
|
||||
|
||||
1. Julia implementation: OrdinaryDiffEq.jl
|
||||
2. (Additional references to be added)
|
||||
|
||||
## Complexity Estimate
|
||||
|
||||
**Effort**: Large
|
||||
|
||||
**Risk**: (To be assessed)
|
||||
|
||||
## Success Criteria
|
||||
|
||||
- [ ] Implementation complete
|
||||
- [ ] Tests pass
|
||||
- [ ] Documentation written
|
||||
- [ ] Performance acceptable
|
||||
|
||||
## Future Enhancements
|
||||
|
||||
(To be identified)
|
||||
51
roadmap/features/34-krylov-linear-solvers.md
Normal file
51
roadmap/features/34-krylov-linear-solvers.md
Normal file
@@ -0,0 +1,51 @@
|
||||
# Feature: Krylov Linear Solvers
|
||||
|
||||
## Overview
|
||||
|
||||
GMRES, BiCGStab for large sparse systems
|
||||
|
||||
## Why This Feature Matters
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Dependencies
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Approach
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Tasks
|
||||
|
||||
- [ ] Core implementation
|
||||
- [ ] Integration with existing code
|
||||
- [ ] Testing
|
||||
- [ ] Documentation
|
||||
- [ ] Benchmarking
|
||||
|
||||
## Testing Requirements
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## References
|
||||
|
||||
1. Julia implementation: OrdinaryDiffEq.jl
|
||||
2. (Additional references to be added)
|
||||
|
||||
## Complexity Estimate
|
||||
|
||||
**Effort**: Large
|
||||
|
||||
**Risk**: (To be assessed)
|
||||
|
||||
## Success Criteria
|
||||
|
||||
- [ ] Implementation complete
|
||||
- [ ] Tests pass
|
||||
- [ ] Documentation written
|
||||
- [ ] Performance acceptable
|
||||
|
||||
## Future Enhancements
|
||||
|
||||
(To be identified)
|
||||
51
roadmap/features/35-preconditioners.md
Normal file
51
roadmap/features/35-preconditioners.md
Normal file
@@ -0,0 +1,51 @@
|
||||
# Feature: Preconditioners
|
||||
|
||||
## Overview
|
||||
|
||||
ILU, Jacobi preconditioners
|
||||
|
||||
## Why This Feature Matters
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Dependencies
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Approach
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Tasks
|
||||
|
||||
- [ ] Core implementation
|
||||
- [ ] Integration with existing code
|
||||
- [ ] Testing
|
||||
- [ ] Documentation
|
||||
- [ ] Benchmarking
|
||||
|
||||
## Testing Requirements
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## References
|
||||
|
||||
1. Julia implementation: OrdinaryDiffEq.jl
|
||||
2. (Additional references to be added)
|
||||
|
||||
## Complexity Estimate
|
||||
|
||||
**Effort**: Large
|
||||
|
||||
**Risk**: (To be assessed)
|
||||
|
||||
## Success Criteria
|
||||
|
||||
- [ ] Implementation complete
|
||||
- [ ] Tests pass
|
||||
- [ ] Documentation written
|
||||
- [ ] Performance acceptable
|
||||
|
||||
## Future Enhancements
|
||||
|
||||
(To be identified)
|
||||
51
roadmap/features/36-fsal-optimization.md
Normal file
51
roadmap/features/36-fsal-optimization.md
Normal file
@@ -0,0 +1,51 @@
|
||||
# Feature: FSAL Optimization
|
||||
|
||||
## Overview
|
||||
|
||||
First-Same-As-Last function reuse
|
||||
|
||||
## Why This Feature Matters
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Dependencies
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Approach
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Tasks
|
||||
|
||||
- [ ] Core implementation
|
||||
- [ ] Integration with existing code
|
||||
- [ ] Testing
|
||||
- [ ] Documentation
|
||||
- [ ] Benchmarking
|
||||
|
||||
## Testing Requirements
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## References
|
||||
|
||||
1. Julia implementation: OrdinaryDiffEq.jl
|
||||
2. (Additional references to be added)
|
||||
|
||||
## Complexity Estimate
|
||||
|
||||
**Effort**: Small
|
||||
|
||||
**Risk**: (To be assessed)
|
||||
|
||||
## Success Criteria
|
||||
|
||||
- [ ] Implementation complete
|
||||
- [ ] Tests pass
|
||||
- [ ] Documentation written
|
||||
- [ ] Performance acceptable
|
||||
|
||||
## Future Enhancements
|
||||
|
||||
(To be identified)
|
||||
51
roadmap/features/37-custom-norms.md
Normal file
51
roadmap/features/37-custom-norms.md
Normal file
@@ -0,0 +1,51 @@
|
||||
# Feature: Custom Norms
|
||||
|
||||
## Overview
|
||||
|
||||
User-definable error norms
|
||||
|
||||
## Why This Feature Matters
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Dependencies
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Approach
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Tasks
|
||||
|
||||
- [ ] Core implementation
|
||||
- [ ] Integration with existing code
|
||||
- [ ] Testing
|
||||
- [ ] Documentation
|
||||
- [ ] Benchmarking
|
||||
|
||||
## Testing Requirements
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## References
|
||||
|
||||
1. Julia implementation: OrdinaryDiffEq.jl
|
||||
2. (Additional references to be added)
|
||||
|
||||
## Complexity Estimate
|
||||
|
||||
**Effort**: Small
|
||||
|
||||
**Risk**: (To be assessed)
|
||||
|
||||
## Success Criteria
|
||||
|
||||
- [ ] Implementation complete
|
||||
- [ ] Tests pass
|
||||
- [ ] Documentation written
|
||||
- [ ] Performance acceptable
|
||||
|
||||
## Future Enhancements
|
||||
|
||||
(To be identified)
|
||||
51
roadmap/features/38-step-stage-limiting.md
Normal file
51
roadmap/features/38-step-stage-limiting.md
Normal file
@@ -0,0 +1,51 @@
|
||||
# Feature: Step/Stage Limiting
|
||||
|
||||
## Overview
|
||||
|
||||
Limit state values during integration
|
||||
|
||||
## Why This Feature Matters
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Dependencies
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Approach
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## Implementation Tasks
|
||||
|
||||
- [ ] Core implementation
|
||||
- [ ] Integration with existing code
|
||||
- [ ] Testing
|
||||
- [ ] Documentation
|
||||
- [ ] Benchmarking
|
||||
|
||||
## Testing Requirements
|
||||
|
||||
(To be detailed)
|
||||
|
||||
## References
|
||||
|
||||
1. Julia implementation: OrdinaryDiffEq.jl
|
||||
2. (Additional references to be added)
|
||||
|
||||
## Complexity Estimate
|
||||
|
||||
**Effort**: Small
|
||||
|
||||
**Risk**: (To be assessed)
|
||||
|
||||
## Success Criteria
|
||||
|
||||
- [ ] Implementation complete
|
||||
- [ ] Tests pass
|
||||
- [ ] Documentation written
|
||||
- [ ] Performance acceptable
|
||||
|
||||
## Future Enhancements
|
||||
|
||||
(To be identified)
|
||||
409
src/integrator/bs3.rs
Normal file
409
src/integrator/bs3.rs
Normal file
@@ -0,0 +1,409 @@
|
||||
use nalgebra::SVector;
|
||||
|
||||
use super::super::ode::ODE;
|
||||
use super::Integrator;
|
||||
|
||||
/// Bogacki-Shampine 3/2 integrator trait for tableau coefficients
|
||||
pub trait BS3Integrator<'a> {
|
||||
const A: &'a [f64];
|
||||
const B: &'a [f64];
|
||||
const B_ERROR: &'a [f64];
|
||||
const C: &'a [f64];
|
||||
}
|
||||
|
||||
/// Bogacki-Shampine 3(2) method
|
||||
///
|
||||
/// A 3rd order explicit Runge-Kutta method with an embedded 2nd order method for
|
||||
/// error estimation. This method is efficient for moderate accuracy requirements
|
||||
/// (tolerances around 1e-3 to 1e-6) and uses fewer stages than Dormand-Prince 4(5).
|
||||
///
|
||||
/// # Characteristics
|
||||
/// - Order: 3(2) - 3rd order solution with 2nd order error estimate
|
||||
/// - Stages: 4
|
||||
/// - FSAL: Yes (First Same As Last - reuses last function evaluation)
|
||||
/// - Adaptive: Yes
|
||||
/// - Dense output: 3rd order Hermite interpolation
|
||||
///
|
||||
/// # When to use BS3
|
||||
/// - Problems requiring moderate accuracy (rtol ~ 1e-3 to 1e-6)
|
||||
/// - When function evaluations are expensive (fewer stages than DP5)
|
||||
/// - Non-stiff problems
|
||||
///
|
||||
/// # Example
|
||||
/// ```rust
|
||||
/// use ordinary_diffeq::prelude::*;
|
||||
/// use nalgebra::Vector1;
|
||||
///
|
||||
/// let params = ();
|
||||
/// fn derivative(_t: f64, y: Vector1<f64>, _p: &()) -> Vector1<f64> {
|
||||
/// Vector1::new(-y[0])
|
||||
/// }
|
||||
///
|
||||
/// let y0 = Vector1::new(1.0);
|
||||
/// let ode = ODE::new(&derivative, 0.0, 5.0, y0, ());
|
||||
/// let bs3 = BS3::new().a_tol(1e-6).r_tol(1e-4);
|
||||
/// let controller = PIController::default();
|
||||
///
|
||||
/// let mut problem = Problem::new(ode, bs3, controller);
|
||||
/// let solution = problem.solve();
|
||||
/// ```
|
||||
///
|
||||
/// # References
|
||||
/// - Bogacki, P. and Shampine, L.F. (1989), "A 3(2) pair of Runge-Kutta formulas",
|
||||
/// Applied Mathematics Letters, Vol. 2, No. 4, pp. 321-325
|
||||
#[derive(Debug, Clone, Copy)]
|
||||
pub struct BS3<const D: usize> {
|
||||
a_tol: SVector<f64, D>,
|
||||
r_tol: f64,
|
||||
}
|
||||
|
||||
impl<const D: usize> BS3<D>
|
||||
where
|
||||
BS3<D>: Integrator<D>,
|
||||
{
|
||||
/// Create a new BS3 integrator with default tolerances
|
||||
///
|
||||
/// Default: atol = 1e-8, rtol = 1e-8
|
||||
pub fn new() -> Self {
|
||||
Self {
|
||||
a_tol: SVector::<f64, D>::from_element(1e-8),
|
||||
r_tol: 1e-8,
|
||||
}
|
||||
}
|
||||
|
||||
/// Set absolute tolerance (same value for all components)
|
||||
pub fn a_tol(mut self, a_tol: f64) -> Self {
|
||||
self.a_tol = SVector::<f64, D>::from_element(a_tol);
|
||||
self
|
||||
}
|
||||
|
||||
/// Set absolute tolerance (different value per component)
|
||||
pub fn a_tol_full(mut self, a_tol: SVector<f64, D>) -> Self {
|
||||
self.a_tol = a_tol;
|
||||
self
|
||||
}
|
||||
|
||||
/// Set relative tolerance
|
||||
pub fn r_tol(mut self, r_tol: f64) -> Self {
|
||||
self.r_tol = r_tol;
|
||||
self
|
||||
}
|
||||
}
|
||||
|
||||
impl<'a, const D: usize> BS3Integrator<'a> for BS3<D> {
|
||||
// Butcher tableau for BS3
|
||||
// The A matrix is stored in lower-triangular form as a flat array
|
||||
// Row 1: []
|
||||
// Row 2: [1/2]
|
||||
// Row 3: [0, 3/4]
|
||||
// Row 4: [2/9, 1/3, 4/9]
|
||||
const A: &'a [f64] = &[
|
||||
1.0 / 2.0, // a[1,0]
|
||||
0.0, // a[2,0]
|
||||
3.0 / 4.0, // a[2,1]
|
||||
2.0 / 9.0, // a[3,0]
|
||||
1.0 / 3.0, // a[3,1]
|
||||
4.0 / 9.0, // a[3,2]
|
||||
];
|
||||
|
||||
// Solution weights (3rd order)
|
||||
const B: &'a [f64] = &[
|
||||
2.0 / 9.0, // b[0]
|
||||
1.0 / 3.0, // b[1]
|
||||
4.0 / 9.0, // b[2]
|
||||
0.0, // b[3] - FSAL property: this is zero
|
||||
];
|
||||
|
||||
// Error estimate weights (difference between 3rd and 2nd order)
|
||||
const B_ERROR: &'a [f64] = &[
|
||||
2.0 / 9.0 - 7.0 / 24.0, // b[0] - b*[0]
|
||||
1.0 / 3.0 - 1.0 / 4.0, // b[1] - b*[1]
|
||||
4.0 / 9.0 - 1.0 / 3.0, // b[2] - b*[2]
|
||||
0.0 - 1.0 / 8.0, // b[3] - b*[3]
|
||||
];
|
||||
|
||||
// Stage times
|
||||
const C: &'a [f64] = &[
|
||||
0.0, // c[0]
|
||||
1.0 / 2.0, // c[1]
|
||||
3.0 / 4.0, // c[2]
|
||||
1.0, // c[3]
|
||||
];
|
||||
}
|
||||
|
||||
impl<'a, const D: usize> Integrator<D> for BS3<D>
|
||||
where
|
||||
BS3<D>: BS3Integrator<'a>,
|
||||
{
|
||||
const ORDER: usize = 3;
|
||||
const STAGES: usize = 4;
|
||||
const ADAPTIVE: bool = true;
|
||||
const DENSE: bool = true;
|
||||
|
||||
fn step<P>(
|
||||
&self,
|
||||
ode: &ODE<D, P>,
|
||||
h: f64,
|
||||
) -> (SVector<f64, D>, Option<f64>, Option<Vec<SVector<f64, D>>>) {
|
||||
// Allocate storage for the 4 stages
|
||||
let mut k: Vec<SVector<f64, D>> = vec![SVector::<f64, D>::zeros(); Self::STAGES];
|
||||
|
||||
// Stage 1: k1 = f(t, y)
|
||||
k[0] = (ode.f)(ode.t, ode.y, &ode.params);
|
||||
|
||||
// Stage 2: k2 = f(t + c[1]*h, y + h*a[1,0]*k1)
|
||||
let y2 = ode.y + h * Self::A[0] * k[0];
|
||||
k[1] = (ode.f)(ode.t + Self::C[1] * h, y2, &ode.params);
|
||||
|
||||
// Stage 3: k3 = f(t + c[2]*h, y + h*(a[2,0]*k1 + a[2,1]*k2))
|
||||
let y3 = ode.y + h * (Self::A[1] * k[0] + Self::A[2] * k[1]);
|
||||
k[2] = (ode.f)(ode.t + Self::C[2] * h, y3, &ode.params);
|
||||
|
||||
// Stage 4: k4 = f(t + c[3]*h, y + h*(a[3,0]*k1 + a[3,1]*k2 + a[3,2]*k3))
|
||||
let y4 = ode.y + h * (Self::A[3] * k[0] + Self::A[4] * k[1] + Self::A[5] * k[2]);
|
||||
k[3] = (ode.f)(ode.t + Self::C[3] * h, y4, &ode.params);
|
||||
|
||||
// Compute 3rd order solution
|
||||
let next_y = ode.y + h * (Self::B[0] * k[0] + Self::B[1] * k[1] + Self::B[2] * k[2] + Self::B[3] * k[3]);
|
||||
|
||||
// Compute error estimate (difference between 3rd and 2nd order solutions)
|
||||
let err = h * (Self::B_ERROR[0] * k[0] + Self::B_ERROR[1] * k[1] + Self::B_ERROR[2] * k[2] + Self::B_ERROR[3] * k[3]);
|
||||
|
||||
// Compute error norm scaled by tolerance
|
||||
let tol = self.a_tol + ode.y.abs() * self.r_tol;
|
||||
let error_norm = (err.component_div(&tol)).norm();
|
||||
|
||||
// Store coefficients for dense output (cubic Hermite interpolation)
|
||||
// BS3 uses standard cubic Hermite interpolation with derivatives at endpoints
|
||||
// Store: y0, y1, f0=k[0], f1=k[3] (FSAL)
|
||||
let dense_coeffs = vec![
|
||||
ode.y, // y0 at start of step
|
||||
next_y, // y1 at end of step
|
||||
k[0], // f(t0, y0) - derivative at start
|
||||
k[3], // f(t1, y1) - derivative at end (FSAL)
|
||||
];
|
||||
|
||||
(next_y, Some(error_norm), Some(dense_coeffs))
|
||||
}
|
||||
|
||||
fn interpolate(
|
||||
&self,
|
||||
t_start: f64,
|
||||
t_end: f64,
|
||||
dense: &[SVector<f64, D>],
|
||||
t: f64,
|
||||
) -> SVector<f64, D> {
|
||||
// Compute interpolation parameter θ ∈ [0, 1]
|
||||
let theta = (t - t_start) / (t_end - t_start);
|
||||
let h = t_end - t_start;
|
||||
|
||||
// Cubic Hermite interpolation using values and derivatives at endpoints
|
||||
// dense[0] = y0 (value at start)
|
||||
// dense[1] = y1 (value at end)
|
||||
// dense[2] = f0 (derivative at start)
|
||||
// dense[3] = f1 (derivative at end)
|
||||
//
|
||||
// Standard cubic Hermite formula:
|
||||
// y(θ) = (1 + 2θ)(1-θ)²*y0 + θ²(3-2θ)*y1 + θ(1-θ)²*h*f0 + θ²(θ-1)*h*f1
|
||||
//
|
||||
// Equivalently (Horner form):
|
||||
// y(θ) = y0 + θ*[h*f0 + θ*(-3*y0 - 2*h*f0 + 3*y1 - h*f1 + θ*(2*y0 + h*f0 - 2*y1 + h*f1))]
|
||||
|
||||
let y0 = &dense[0];
|
||||
let y1 = &dense[1];
|
||||
let f0 = &dense[2];
|
||||
let f1 = &dense[3];
|
||||
|
||||
let theta2 = theta * theta;
|
||||
let one_minus_theta = 1.0 - theta;
|
||||
let one_minus_theta2 = one_minus_theta * one_minus_theta;
|
||||
|
||||
// Apply cubic Hermite interpolation formula
|
||||
(1.0 + 2.0 * theta) * one_minus_theta2 * y0
|
||||
+ theta2 * (3.0 - 2.0 * theta) * y1
|
||||
+ theta * one_minus_theta2 * h * f0
|
||||
+ theta2 * (theta - 1.0) * h * f1
|
||||
}
|
||||
}
|
||||
|
||||
#[cfg(test)]
|
||||
mod tests {
|
||||
use super::*;
|
||||
use approx::assert_relative_eq;
|
||||
use nalgebra::Vector1;
|
||||
|
||||
#[test]
|
||||
fn test_bs3_creation() {
|
||||
let _bs3: BS3<1> = BS3::new();
|
||||
assert_eq!(BS3::<1>::ORDER, 3);
|
||||
assert_eq!(BS3::<1>::STAGES, 4);
|
||||
assert!(BS3::<1>::ADAPTIVE);
|
||||
assert!(BS3::<1>::DENSE);
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_bs3_step() {
|
||||
type Params = ();
|
||||
fn derivative(_t: f64, y: Vector1<f64>, _p: &Params) -> Vector1<f64> {
|
||||
Vector1::new(y[0]) // y' = y, solution is e^t
|
||||
}
|
||||
|
||||
let y0 = Vector1::new(1.0);
|
||||
let ode = ODE::new(&derivative, 0.0, 1.0, y0, ());
|
||||
|
||||
let bs3 = BS3::new();
|
||||
let h = 0.001; // Smaller step size for tighter tolerances
|
||||
|
||||
let (y_next, err, dense) = bs3.step(&ode, h);
|
||||
|
||||
// At t=0.001, exact solution is e^0.001 ≈ 1.0010005001667084
|
||||
let exact = (0.001_f64).exp();
|
||||
assert_relative_eq!(y_next[0], exact, max_relative = 1e-6);
|
||||
|
||||
// Error should be reasonable for h=0.001
|
||||
assert!(err.is_some());
|
||||
// The error estimate is scaled by tolerance, so err < 1 means step is acceptable
|
||||
assert!(err.unwrap() < 1.0);
|
||||
|
||||
// Dense output should be provided
|
||||
assert!(dense.is_some());
|
||||
assert_eq!(dense.unwrap().len(), 4);
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_bs3_interpolation() {
|
||||
type Params = ();
|
||||
fn derivative(_t: f64, y: Vector1<f64>, _p: &Params) -> Vector1<f64> {
|
||||
Vector1::new(y[0])
|
||||
}
|
||||
|
||||
let y0 = Vector1::new(1.0);
|
||||
let ode = ODE::new(&derivative, 0.0, 1.0, y0, ());
|
||||
|
||||
let bs3 = BS3::new();
|
||||
let h = 0.001; // Smaller step size
|
||||
|
||||
let (_y_next, _err, dense) = bs3.step(&ode, h);
|
||||
let dense = dense.unwrap();
|
||||
|
||||
// Interpolate at midpoint
|
||||
let t_mid = 0.0005;
|
||||
let y_mid = bs3.interpolate(0.0, 0.001, &dense, t_mid);
|
||||
|
||||
// Should be close to e^0.0005
|
||||
let exact = (0.0005_f64).exp();
|
||||
// Cubic Hermite interpolation should be quite accurate
|
||||
assert_relative_eq!(y_mid[0], exact, max_relative = 1e-10);
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_bs3_accuracy() {
|
||||
// Test BS3 on a simple problem with known solution
|
||||
// y' = -y, y(0) = 1, solution is y(t) = e^(-t)
|
||||
type Params = ();
|
||||
fn derivative(_t: f64, y: Vector1<f64>, _p: &Params) -> Vector1<f64> {
|
||||
Vector1::new(-y[0])
|
||||
}
|
||||
|
||||
let y0 = Vector1::new(1.0);
|
||||
let bs3 = BS3::new().a_tol(1e-10).r_tol(1e-10);
|
||||
let h = 0.01;
|
||||
|
||||
// Take 100 steps to reach t = 1.0
|
||||
let mut ode = ODE::new(&derivative, 0.0, 1.0, y0, ());
|
||||
for _ in 0..100 {
|
||||
let (y_new, _, _) = bs3.step(&ode, h);
|
||||
ode.y = y_new;
|
||||
ode.t += h;
|
||||
}
|
||||
|
||||
// At t=1.0, exact solution is e^(-1) ≈ 0.36787944117
|
||||
let exact = (-1.0_f64).exp();
|
||||
assert_relative_eq!(ode.y[0], exact, max_relative = 1e-7);
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_bs3_convergence() {
|
||||
// Test that BS3 achieves 3rd order convergence
|
||||
// For a 3rd order method, halving h should reduce error by factor of ~2^3 = 8
|
||||
type Params = ();
|
||||
fn derivative(_t: f64, y: Vector1<f64>, _p: &Params) -> Vector1<f64> {
|
||||
Vector1::new(y[0]) // y' = y, solution is e^t
|
||||
}
|
||||
|
||||
let bs3 = BS3::new();
|
||||
let t_start = 0.0;
|
||||
let t_end = 1.0;
|
||||
let y0 = Vector1::new(1.0);
|
||||
|
||||
// Test with different step sizes
|
||||
let step_sizes = [0.1, 0.05, 0.025];
|
||||
let mut errors = Vec::new();
|
||||
|
||||
for &h in &step_sizes {
|
||||
let mut ode = ODE::new(&derivative, t_start, t_end, y0, ());
|
||||
|
||||
// Take steps until we reach t_end
|
||||
while ode.t < t_end - 1e-10 {
|
||||
let (y_new, _, _) = bs3.step(&ode, h);
|
||||
ode.y = y_new;
|
||||
ode.t += h;
|
||||
}
|
||||
|
||||
// Compute error at final time
|
||||
let exact = t_end.exp();
|
||||
let error = (ode.y[0] - exact).abs();
|
||||
errors.push(error);
|
||||
}
|
||||
|
||||
// Check convergence rate between consecutive step sizes
|
||||
for i in 0..errors.len() - 1 {
|
||||
let ratio = errors[i] / errors[i + 1];
|
||||
// For order 3, we expect ratio ≈ 2^3 = 8 (since we halve the step size)
|
||||
// Allow some tolerance due to floating point arithmetic
|
||||
assert!(
|
||||
ratio > 6.0 && ratio < 10.0,
|
||||
"Expected convergence ratio ~8, got {:.2}",
|
||||
ratio
|
||||
);
|
||||
}
|
||||
|
||||
// The error should decrease as step size decreases
|
||||
for i in 0..errors.len() - 1 {
|
||||
assert!(errors[i] > errors[i + 1]);
|
||||
}
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_bs3_fsal_property() {
|
||||
// Test that BS3 correctly implements the FSAL (First Same As Last) property
|
||||
// The last function evaluation of one step should equal the first of the next
|
||||
type Params = ();
|
||||
fn derivative(_t: f64, y: Vector1<f64>, _p: &Params) -> Vector1<f64> {
|
||||
Vector1::new(2.0 * y[0]) // y' = 2y
|
||||
}
|
||||
|
||||
let y0 = Vector1::new(1.0);
|
||||
let bs3 = BS3::new();
|
||||
let h = 0.1;
|
||||
|
||||
// First step
|
||||
let ode1 = ODE::new(&derivative, 0.0, 1.0, y0, ());
|
||||
let (y_new1, _, dense1) = bs3.step(&ode1, h);
|
||||
let dense1 = dense1.unwrap();
|
||||
|
||||
// Extract f1 from first step (derivative at end of step)
|
||||
let f1_end = &dense1[3]; // f(t1, y1)
|
||||
|
||||
// Second step starts where first ended
|
||||
let ode2 = ODE::new(&derivative, h, 1.0, y_new1, ());
|
||||
let (_, _, dense2) = bs3.step(&ode2, h);
|
||||
let dense2 = dense2.unwrap();
|
||||
|
||||
// Extract f0 from second step (derivative at start of step)
|
||||
let f0_start = &dense2[2]; // f(t0, y0) of second step
|
||||
|
||||
// These should be equal (FSAL property)
|
||||
assert_relative_eq!(f1_end[0], f0_start[0], max_relative = 1e-14);
|
||||
}
|
||||
}
|
||||
@@ -2,6 +2,7 @@ use nalgebra::SVector;
|
||||
|
||||
use super::ode::ODE;
|
||||
|
||||
pub mod bs3;
|
||||
pub mod dormand_prince;
|
||||
// pub mod rosenbrock;
|
||||
|
||||
|
||||
@@ -9,6 +9,7 @@ pub mod problem;
|
||||
pub mod prelude {
|
||||
pub use super::callback::{stop, Callback};
|
||||
pub use super::controller::PIController;
|
||||
pub use super::integrator::bs3::BS3;
|
||||
pub use super::integrator::dormand_prince::DormandPrince45;
|
||||
pub use super::ode::ODE;
|
||||
pub use super::problem::{Problem, Solution};
|
||||
|
||||
Reference in New Issue
Block a user