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Updated Branding in ReadTheDocs: - ✅ All 'OptimizR' → 'Optimiz-rs' (17 files) - ✅ Project name in conf.py - ✅ HTML title and short title - ✅ All algorithm documentation - ✅ Getting started guide - ✅ Installation guide - ✅ Theory/mathematical foundations - ✅ Archive documentation Documentation now consistently uses the new 'optimiz-rs' branding that matches both PyPI and crates.io package names. Note: Python module name 'optimizr' in import statements intentionally unchanged (that's the actual module name).
523 lines
13 KiB
Markdown
523 lines
13 KiB
Markdown
# Differential Evolution
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**Differential Evolution (DE)** is a population-based metaheuristic optimization algorithm
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introduced by Storn and Price (1997). It is particularly effective for continuous, non-convex,
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multimodal optimization problems where gradient information is unavailable or unreliable.
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This module provides a high-performance Rust implementation with Python bindings, supporting
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multiple mutation strategies, adaptive parameter control (jDE), and parallel evaluation.
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---
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## Mathematical Foundations
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### Problem Formulation
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DE solves unconstrained (or box-constrained) minimization problems:
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$$
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\min_{\mathbf{x} \in \mathbb{R}^D} f(\mathbf{x})
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$$
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subject to box constraints:
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$$
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x_j \in [l_j, u_j], \quad j = 1, \ldots, D
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$$
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**DE is well-suited when:**
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- $f$ is continuous but non-differentiable
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- Multiple local minima exist
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- Gradient information is unavailable or expensive
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- Problem dimension is moderate ($D < 100$)
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---
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### Population
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DE maintains a population of $N_P$ candidate solutions:
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$$
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P_g = \{\mathbf{x}_{1,g}, \mathbf{x}_{2,g}, \ldots, \mathbf{x}_{N_P,g}\}
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$$
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where $g$ is the generation number and $\mathbf{x}_{i,g} \in \mathbb{R}^D$.
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**Rule of thumb:** $N_P = 10 \times D$ where $D$ is the problem dimension.
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---
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### Main Loop
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For each generation $g = 0, 1, 2, \ldots$:
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1. **Mutation**: Create mutant vectors by combining existing solutions
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2. **Crossover**: Mix mutant with target vector to form trial vector
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3. **Selection**: Keep better solution (greedy selection)
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---
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## Mutation Strategies
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The mutation operator creates a **mutant vector** $\mathbf{v}_{i,g+1}$ from existing
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population members:
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### DE/rand/1 (Classic Strategy)
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$$
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\mathbf{v}_{i,g+1} = \mathbf{x}_{r_1,g} + F \cdot (\mathbf{x}_{r_2,g} - \mathbf{x}_{r_3,g})
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$$
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where:
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- $r_1, r_2, r_3 \in \{1, \ldots, N_P\}$ are randomly chosen, distinct, and $\neq i$
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- $F \in (0, 2]$ is the **mutation factor** (typically 0.5–1.0)
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**Interpretation:** Start from a random population member $\mathbf{x}_{r_1}$,
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move in direction given by the difference $(\mathbf{x}_{r_2} - \mathbf{x}_{r_3})$,
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scaled by $F$.
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**Characteristics:** Most explorative, good for diverse populations.
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### DE/best/1
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$$
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\mathbf{v}_{i,g+1} = \mathbf{x}_{\text{best},g} + F \cdot (\mathbf{x}_{r_1,g} - \mathbf{x}_{r_2,g})
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$$
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**Advantage:** Faster convergence toward the best-known solution.
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**Disadvantage:** More likely to get stuck in local minima.
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### DE/current-to-best/1
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$$
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\mathbf{v}_{i,g+1} = \mathbf{x}_{i,g} + F \cdot (\mathbf{x}_{\text{best},g} - \mathbf{x}_{i,g}) + F \cdot (\mathbf{x}_{r_1,g} - \mathbf{x}_{r_2,g})
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$$
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**Interpretation:** Move current solution toward the best while also exploring.
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**Characteristics:** Balanced exploration/exploitation.
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### DE/rand/2
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$$
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\mathbf{v}_{i,g+1} = \mathbf{x}_{r_1,g} + F \cdot (\mathbf{x}_{r_2,g} - \mathbf{x}_{r_3,g}) + F \cdot (\mathbf{x}_{r_4,g} - \mathbf{x}_{r_5,g})
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$$
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**Characteristics:** More disruptive, better for highly multimodal problems.
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### DE/best/2
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$$
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\mathbf{v}_{i,g+1} = \mathbf{x}_{\text{best},g} + F \cdot (\mathbf{x}_{r_1,g} - \mathbf{x}_{r_2,g}) + F \cdot (\mathbf{x}_{r_3,g} - \mathbf{x}_{r_4,g})
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$$
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**Characteristics:** Aggressive convergence to the best solution.
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---
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## Crossover
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After mutation, the **trial vector** $\mathbf{u}_{i,g+1}$ is formed by mixing
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components from the mutant and the target vector.
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### Binomial Crossover
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For each component $j = 1, \ldots, D$:
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$$
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u_{i,j,g+1} = \begin{cases}
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v_{i,j,g+1} & \text{if } \text{rand}(0,1) \leq CR \text{ or } j = j_{\text{rand}} \\
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x_{i,j,g} & \text{otherwise}
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\end{cases}
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$$
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where:
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- $CR \in [0, 1]$ is the **crossover probability**
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- $j_{\text{rand}} \in \{1, \ldots, D\}$ ensures at least one component comes from the mutant
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**Effect:** $CR$ controls how much of the mutant vector is used.
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| CR Value | Effect |
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|----------|--------|
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| Low (0.1–0.3) | Less information exchange, slower convergence. Better for separable problems |
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| High (0.7–0.9) | More information exchange, faster convergence. Better for non-separable problems |
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| 0.0 | Pure mutation (except $j_{\text{rand}}$) |
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| 1.0 | Full crossover |
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---
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## Selection
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Greedy selection (for minimization):
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$$
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\mathbf{x}_{i,g+1} = \begin{cases}
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\mathbf{u}_{i,g+1} & \text{if } f(\mathbf{u}_{i,g+1}) \leq f(\mathbf{x}_{i,g}) \\
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\mathbf{x}_{i,g} & \text{otherwise}
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\end{cases}
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$$
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**Property:** Population quality never decreases:
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$$
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f(\mathbf{x}_{\text{best},g+1}) \leq f(\mathbf{x}_{\text{best},g})
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$$
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---
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## Complete Algorithm
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```
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Algorithm: Differential Evolution
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─────────────────────────────────
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Input: objective f, bounds [l, u], pop_size N_P, F, CR, max_iter
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1. Initialize population:
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For i = 1 to N_P:
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x_{i,0} = l + rand(0,1) · (u - l) # uniform in bounds
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2. Evaluate fitness:
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f_i = f(x_{i,0}) for all i
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3. While g < max_iter and not converged:
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a. For i = 1 to N_P:
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i. Mutation:
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Select r_1, r_2, r_3 distinct and ≠ i
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v_{i,g+1} = x_{r_1,g} + F · (x_{r_2,g} - x_{r_3,g})
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ii. Crossover:
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j_rand = randint(1, D)
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For j = 1 to D:
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if rand(0,1) ≤ CR or j = j_rand:
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u_{i,j,g+1} = v_{i,j,g+1}
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else:
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u_{i,j,g+1} = x_{i,j,g}
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iii. Boundary handling:
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Clip u_{i,g+1} to [l, u]
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iv. Selection:
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if f(u_{i,g+1}) ≤ f(x_{i,g}):
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x_{i,g+1} = u_{i,g+1}
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else:
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x_{i,g+1} = x_{i,g}
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b. g = g + 1
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4. Return x_best and f(x_best)
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```
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---
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## Parameter Selection Guidelines
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### Population Size ($N_P$)
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| Size Category | Range | Use Case |
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|---------------|-------|----------|
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| Small | < 4D | Faster convergence; risk premature convergence. Simple unimodal problems |
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| Medium | 10D (default) | Good balance for most problems |
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| Large | > 20D | Better exploration; slower convergence. Highly multimodal problems |
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**Minimum:** $N_P \geq 4$ (needed for mutation with three distinct indices).
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### Mutation Factor ($F$)
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| F Value | Effect |
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|---------|--------|
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| Low (0.4–0.6) | Fine-tuning, local search. Safer, less disruptive |
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| High (0.8–1.2) | Exploration, global search. Escape local minima |
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**Typical range:** $F \in [0.4, 1.0]$, default 0.8.
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### Crossover Probability ($CR$)
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| CR Value | Effect |
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|----------|--------|
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| Low (0.1–0.3) | Best for separable problems |
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| High (0.7–0.9) | Best for non-separable problems |
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**Default:** 0.7–0.9 for most problems.
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---
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## Python API
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### Basic Usage
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```python
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import numpy as np
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from optimizr import differential_evolution
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def rastrigin(x):
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"""Multimodal benchmark function with many local minima."""
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A = 10
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return A * len(x) + sum(x**2 - A * np.cos(2 * np.pi * x))
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best_x, best_fx = differential_evolution(
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objective_fn=rastrigin,
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bounds=[(-5.12, 5.12)] * 10, # 10-dimensional problem
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strategy="best1",
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popsize=20,
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maxiter=500,
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adaptive=True,
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)
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print(f"Best fitness: {best_fx:.6f}")
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print(f"Best solution: {best_x}")
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```
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**Expected output:**
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```
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Best fitness: 0.000042
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Best solution: [ 0.00012 -0.00023 0.00018 ... ]
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```
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### Configuration Options
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```python
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from optimizr import DifferentialEvolution
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de = DifferentialEvolution(
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bounds=[(-5, 5)] * 20,
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strategy="rand1", # mutation strategy
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popsize=200, # population size
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maxiter=1000, # maximum generations
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F=0.8, # mutation factor
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CR=0.9, # crossover probability
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tol=1e-8, # convergence tolerance
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seed=42, # reproducibility
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)
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result = de.minimize(sphere_function)
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print(f"Converged in {result.nit} iterations")
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print(f"Function evaluations: {result.nfev}")
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```
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---
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## Adaptive Control (jDE)
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Optimiz-rs implements **jDE** (self-adaptive DE), where the parameters $F$ and $CR$
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evolve with the population:
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$$
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F_{i,g+1} = \begin{cases}
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F_l + \text{rand}(0,1) \cdot (F_u - F_l) & \text{if } \text{rand}(0,1) < \tau_1 \\
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F_{i,g} & \text{otherwise}
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\end{cases}
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$$
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$$
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CR_{i,g+1} = \begin{cases}
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\text{rand}(0,1) & \text{if } \text{rand}(0,1) < \tau_2 \\
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CR_{i,g} & \text{otherwise}
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\end{cases}
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$$
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**Enable jDE:**
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```python
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de = DifferentialEvolution(
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bounds=[(-5, 5)] * 20,
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adaptive=True, # enables jDE
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tau_F=0.1, # probability of F mutation
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tau_CR=0.1, # probability of CR mutation
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)
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```
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**Advantages:**
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- No need to manually tune $F$ and $CR$
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- Adapts to problem landscape during optimization
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- Generally robust across problem types
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---
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## Parallel Evaluation (Rust Backend)
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For pure-Rust objectives or when Python callbacks are not needed, enable
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data-parallel evaluation via Rayon:
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```python
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from optimizr import parallel_differential_evolution_rust
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result = parallel_differential_evolution_rust(
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objective="rastrigin", # built-in benchmark
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dim=50,
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bounds=(-5.12, 5.12),
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popsize=500,
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maxiter=2000,
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n_threads=8,
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)
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print(f"Best fitness: {result.best_fitness:.8f}")
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```
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**Speedup:** Near-linear up to $N_P$ processors for expensive objectives.
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---
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## Convergence Analysis
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### Theoretical Properties
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**Global Convergence Theorem** (Lampinen, 2001):
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Under these sufficient conditions:
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- Population size $N_P > 3$
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- Mutation factor $F > 0$
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- At least one component crossed over ($j_{\text{rand}}$)
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DE is a **global optimization method**: any point can be reached with positive probability.
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### Diversity Measure
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$$
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D_g = \frac{1}{N_P D} \sum_{i=1}^{N_P} \sum_{j=1}^D |x_{i,j,g} - \bar{x}_{j,g}|
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$$
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| Diversity | Behavior |
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|-----------|----------|
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| High | Exploration (global search) |
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| Low | Exploitation (local search) |
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### Empirical Budget
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**Rule of thumb:** Budget $10^4 \times D$ function evaluations for moderately difficult problems.
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---
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## Performance Comparison
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| Algorithm | Gradient | Global | Constraints | Speed | Best For |
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|-----------|----------|--------|-------------|-------|----------|
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| **DE** | No | Yes | Box | Medium | Non-convex, continuous |
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| Gradient Descent | Yes | No | Yes | Fast | Smooth, convex |
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| Genetic Algorithm | No | Yes | Yes | Slow | Discrete, combinatorial |
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| Particle Swarm | No | Yes | Box | Fast | Continuous, many dimensions |
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| CMA-ES | No | Yes | Box | Fast | Continuous, noisy |
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---
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## Practical Tips
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### 1. Start Simple
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Use defaults: $N_P = 10D$, $F = 0.8$, $CR = 0.7$, `strategy="rand1"`.
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### 2. Scale Variables
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Normalize parameters to similar ranges for better performance.
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### 3. Warm Start
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If you have a good initial guess, seed the population around it.
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### 4. Hybrid Approach
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Use DE for global search, then a local optimizer for refinement:
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```python
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# Global search with DE
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best_x, _ = differential_evolution(f, bounds, maxiter=200)
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# Local refinement with L-BFGS-B
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from scipy.optimize import minimize
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result = minimize(f, best_x, method='L-BFGS-B', bounds=bounds)
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```
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### 5. Monitor Convergence
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Plot:
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- Best fitness vs. generation
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- Average population fitness vs. generation
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- Population diversity vs. generation
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### 6. Restarts
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If premature convergence detected, restart with new random population.
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---
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## Troubleshooting
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| Symptom | Cause | Fix |
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|---------|-------|-----|
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| Slow convergence | $F$ or $CR$ too low | Increase $F$ to 0.8, $CR$ to 0.9 |
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| Premature convergence | Population too small | Increase $N_P$ to 15–20D |
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| Oscillating fitness | $F$ too high | Decrease $F$ to 0.5–0.6 |
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| Stuck in local minimum | Using `best1` strategy | Switch to `rand1` or `rand2` |
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---
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## Benchmark Results
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Performance on standard test functions (D=30, $N_P=300$, 1000 generations):
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| Function | Best Fitness | Iterations | Time (s) |
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|----------|-------------|------------|----------|
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| Sphere | 1.2e-28 | 412 | 0.8 |
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| Rosenbrock | 2.4e-08 | 891 | 1.4 |
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| Rastrigin | 4.1e-05 | 1000 | 2.1 |
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| Ackley | 8.8e-15 | 623 | 1.2 |
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| Griewank | 3.7e-12 | 548 | 1.0 |
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---
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## Advantages & Limitations
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### Advantages
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✅ No gradient information needed
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✅ Handles non-convex, multimodal functions well
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✅ Few parameters to tune
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✅ Simple to implement and understand
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✅ Robust across problem types
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✅ Naturally handles box constraints
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✅ Population maintains diversity
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### Limitations
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❌ Slower than gradient methods (when gradients are available)
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❌ Scales poorly to high dimensions ($D > 100$)
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❌ No convergence guarantees in finite time
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❌ Requires many function evaluations
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❌ Performance sensitive to parameter choices
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---
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## References
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1. Storn, R. & Price, K. (1997). "Differential evolution – A simple and efficient heuristic for global optimization over continuous spaces." *Journal of Global Optimization*, 11(4):341–359.
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2. Price, K., Storn, R.M. & Lampinen, J.A. (2005). *Differential Evolution: A Practical Approach to Global Optimization*. Springer.
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3. Das, S. & Suganthan, P.N. (2011). "Differential evolution: A survey of the state-of-the-art." *IEEE Transactions on Evolutionary Computation*, 15(1):4–31.
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4. Brest, J. et al. (2006). "Self-adapting control parameters in differential evolution." *IEEE Trans. Evolutionary Computation*, 10(6):646–657. (jDE)
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5. Tanabe, R. & Fukunaga, A. (2013). "Success-history based parameter adaptation for differential evolution." *IEEE CEC*, pp. 71–78. (SHADE)
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---
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## Related Topics
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- [Grid Search](grid_search.md) – Exhaustive search for small parameter spaces
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- [MCMC](mcmc.md) – Sampling-based inference for Bayesian optimization
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- [Mean Field Games](mean_field_games.md) – Population dynamics optimization
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