evograd-diff 0.1.0

PyTorch-based framework for differentiable evolutionary computation and swarm intelligence

EvoGrad: Metaheuristics in a Differentiable Wonderland

EvoGrad is a PyTorch-based framework for differentiable Evolutionary Computation and Swarm Intelligence. It bridges classical population-based optimisation with modern differentiable programming by enabling gradient flow through evolutionary operators.

🌟 Key Features

• Fully Differentiable: All operators support gradient computation via reparameterisation tricks (Gumbel-Softmax, Binary-Concrete, pathwise gradients)
• GPU Accelerated: Native PyTorch implementation for seamless CPU/GPU/MPS execution
• Modular Design: Dependency injection pattern inspired by pymoo for flexible operator composition
• Learnable Hyperparameters: Automatically tune algorithm parameters via backpropagation
• Four Algorithms: GA, DE, PSO, and CMA-ES with multiple variants

📦 Installation

# Clone the repository
git clone https://github.com/YOUR_USERNAME/evograd.git
cd evograd

# Install dependencies
pip install torch numpy

# Install in development mode
pip install -e .

🚀 Quick Start

import torch
from evograd.core import Problem, minimize
from evograd.algorithms import GA, DE, PSO, CMAES

# Define an optimisation problem
problem = Problem(
    objective=lambda x: (x**2).sum(dim=-1),  # Sphere function
    n_var=30,
    xl=-100.0,
    xu=100.0,
)

# Run with Genetic Algorithm
ga = GA(pop_size=100, differentiable=True)
result = minimize(problem, ga, max_evals=10000, seed=42)
print(f"GA Best: {result.best_fitness:.6f}")

# Run with Differential Evolution
de = DE(pop_size=100, variant="DE/rand/1/bin", adaptive=True)
result = minimize(problem, de, max_evals=10000, seed=42)
print(f"DE Best: {result.best_fitness:.6f}")

# Run with Particle Swarm Optimisation
pso = PSO(pop_size=100, adaptive=True, differentiable=True)
result = minimize(problem, pso, max_evals=10000, seed=42)
print(f"PSO Best: {result.best_fitness:.6f}")

# Run with CMA-ES
cmaes = CMAES(sigma=0.5, adaptive=True)
result = minimize(problem, cmaes, max_evals=10000, seed=42)
print(f"CMA-ES Best: {result.best_fitness:.6f}")

🔧 Algorithms and Operating Modes

Genetic Algorithm (GA)

The GA uses operator-level differentiability. Each operator (selection, crossover, mutation, survival) can independently be set to differentiable mode:

from evograd.algorithms import GA
from evograd.operators import (
    RouletteSelection,
    SBXCrossover,
    PolynomialMutation,
    MergeSurvival,
)

# Classical GA (no gradients)
ga = GA(pop_size=100, differentiable=False)

# Fully differentiable GA with custom operators
ga = GA(
    pop_size=100,
    selection=RouletteSelection(differentiable=True, learn_temperature=True),
    crossover=SBXCrossover(differentiable=True, learn_eta=True, learn_prob=True),
    mutation=PolynomialMutation(differentiable=True, learn_eta=True, learn_prob=True),
    survival=MergeSurvival(selection=RouletteSelection(differentiable=True)),
    differentiable=True,  # Makes population learnable
)

Parameter	Effect
differentiable=False	Classical GA with discrete operators
differentiable=True	Population is an nn.Parameter (learnable via backprop)
Operator differentiable=True	Operator uses Gumbel-Softmax/Binary-Concrete for gradient flow
Operator learn_*=True	Operator hyperparameters become learnable nn.Parameter

Differential Evolution (DE)

DE uses algorithm-level flags for adaptive hyperparameters and differentiable population:

from evograd.algorithms import DE, de_rand_1_bin, de_best_1_bin

# Classical DE
de = DE(pop_size=100, variant="DE/rand/1/bin", F=0.5, CR=0.9)

# Adaptive DE (learnable F, CR, selection temperature)
de = DE(pop_size=100, variant="DE/best/1/bin", adaptive=True)

# Differentiable population
de = DE(pop_size=100, variant="DE/rand/1/bin", differentiable=True)

# Both adaptive and differentiable
de = DE(pop_size=100, variant="DE/current-to-best/1/bin", adaptive=True, differentiable=True)

adaptive	differentiable	Effect
False	False	Classical DE
True	False	F, CR, temperatures learnable via backprop
False	True	Population learnable via backprop
True	True	Both hyperparameters and population learnable

Supported Variants:

• DE/rand/1/bin, DE/rand/1/exp, DE/rand/2/bin, DE/rand/2/exp
• DE/best/1/bin, DE/best/1/exp, DE/best/2/bin, DE/best/2/exp
• DE/current-to-best/1/bin, DE/current-to-best/1/exp
• DE/current-to-rand/1

Particle Swarm Optimisation (PSO)

PSO uses the same algorithm-level flags as DE:

from evograd.algorithms import PSO, pso_constriction, pso_adaptive

# Classical PSO
pso = PSO(pop_size=100, inertia=0.7, c1=1.5, c2=1.5)

# Adaptive PSO (learnable inertia, c1, c2)
pso = PSO(pop_size=100, adaptive=True)

# Per-particle adaptive coefficients
pso = PSO(pop_size=100, adaptive=True, per_particle_coeffs=True)

# Constriction factor PSO
pso = pso_constriction(pop_size=100)

# Fully differentiable
pso = PSO(pop_size=100, adaptive=True, differentiable=True)

adaptive	differentiable	Effect
False	False	Classical PSO
True	False	Inertia, c1, c2 learnable via backprop
False	True	Particle positions learnable via backprop
True	True	Both coefficients and positions learnable

CMA-ES

CMA-ES supports adaptive coefficients and restart strategies (IPOP/BIPOP):

from evograd.algorithms import CMAES, cmaes_ipop, cmaes_bipop

# Classical CMA-ES
cmaes = CMAES(pop_size=50, sigma=0.5)

# Adaptive CMA-ES (learnable cc, cs, c1, cmu, damps)
cmaes = CMAES(pop_size=50, sigma=0.5, adaptive=True)

# Differentiable mean
cmaes = CMAES(pop_size=50, sigma=0.5, differentiable=True)

# IPOP-CMA-ES (increasing population restarts)
cmaes = cmaes_ipop(restarts=9, incpopsize=2)

# BIPOP-CMA-ES (alternating small/large populations)
cmaes = cmaes_bipop(restarts=9)

adaptive	differentiable	Effect
False	False	Classical CMA-ES
True	False	Adaptation coefficients learnable via backprop
False	True	Distribution mean μ learnable via backprop
True	True	Both coefficients and mean learnable

Restart Strategies:

• IPOP: Restart with doubled population after convergence
• BIPOP: Alternate between small (focused) and large (exploratory) populations

📚 Operators Library

EvoGrad provides a comprehensive library of evolutionary operators:

Selection

Operator	Description	Differentiable
RandomSelection	Uniform random selection	✗
RouletteSelection	Fitness-proportionate (Gumbel-Softmax)	✓
TournamentSelection	Tournament with soft winner (Gumbel-Softmax)	✓
RankSelection	Rank-based probabilities	✓
StochasticUniversalSampling	SUS with soft selection	✓

Crossover

Operator	Description	Differentiable
SBXCrossover	Simulated Binary Crossover	✓
BinomialCrossover	DE-style binomial	✓
ExponentialCrossover	DE-style exponential	✓
BlendCrossover	BLX-α crossover	✓
ArithmeticCrossover	Weighted average	✓
UniformCrossover	Gene-wise uniform swap	✓
SimulatedBinaryCrossover	Alias for SBX	✓

Mutation

Operator	Description	Differentiable
PolynomialMutation	Polynomial bounded mutation	✓
GaussianMutation	Additive Gaussian noise	✓
UniformMutation	Uniform random replacement	✓
AdaptiveMutation	Self-adaptive mutation rates	✓

Survival

Operator	Description
MergeSurvival	(μ+λ) with optional elitism
ReplacementSurvival	(μ,λ) generational replacement
AgingSurvival	Age-based replacement
FitnessSurvival	Pure fitness-based truncation

Repair

Operator	Description
BoundsRepair	Clamp to bounds
ReflectionRepair	Bounce off boundaries
WrapRepair	Toroidal wrap-around
RandomRepair	Random resampling

🎯 Advanced Usage

Training Neural Networks with EvoGrad

import torch
import torch.nn as nn
from evograd.algorithms import CMAES
from evograd.core import Problem
from evograd.core.termination import MaxEvaluations


# Define a simple MLP
class MLP(nn.Module):
    def __init__(self):
        super().__init__()
        self.net = nn.Sequential(
            nn.Linear(10, 64),
            nn.Tanh(),
            nn.Linear(64, 1),
        )
    
    def forward(self, x):
        return self.net(x)

# Flatten parameters for optimisation
model = MLP()
n_params = sum(p.numel() for p in model.parameters())

def loss_fn(params):
    # Reshape flat params back to model
    idx = 0
    for p in model.parameters():
        numel = p.numel()
        p.data.copy_(params[idx:idx+numel].view(p.shape))
        idx += numel
    
    # Compute loss on dummy data
    x = torch.randn(32, 10)
    y = torch.randn(32, 1)
    pred = model(x)
    return ((pred - y)**2).mean()

# Batch evaluation
def batch_loss(pop):
    return torch.stack([loss_fn(p) for p in pop])

problem = Problem(
    objective=batch_loss,
    n_var=n_params,
    xl=-10.0,
    xu=10.0,
)

cmaes = CMAES(pop_size=50, sigma=1.0, adaptive=True)
result = minimize(problem, cmaes, MaxEvaluations(10000))
print(f"Final loss: {result.best_fitness:.6f}")

Callbacks for Logging

from evograd.core import minimize
from evograd.utils import HistoryCallback, PrintCallback

callbacks = [
    PrintCallback(every=10),  # Print progress every 10 generations
    HistoryCallback(),        # Record full history
]

result = minimize(problem, algorithm, termination=MaxEvaluations(10000), callback=callbacks)

# Access history
print(f"Fitness over time: {result.history['best_fitness']}")

🏗️ Architecture

evograd/
├── algorithms/
│   └── cmaes.py          # CMA-ES with IPOP/BIPOP
│   ├── de.py             # Differential Evolution
│   ├── ga.py             # Genetic Algorithm
│   ├── pso.py            # Particle Swarm Optimisation
├── core/
│   ├── algorithm.py      # Base Algorithm class
│   ├── maximize.py       # Optimisation loop (maximisation)
│   ├── minimize.py       # Optimisation loop (minimisation)
│   ├── problem.py        # Problem definition
│   ├── result.py         # Result container
│   └── termination.py    # Stopping criteria
├── operators/
│   ├── crossover.py      # Crossover operators
│   ├── mutation.py       # Mutation operators
│   ├── sampling.py       # Sampling operators
│   ├── selection.py      # Selection operators
│   ├── survival.py       # Survival/replacement
│   └── repair.py         # Constraint handling
└── utils/
    ├── callbacks.py      # Logging utilities
    ├── device.py         # Device management
    └── duplicates.py     # Duplicate elimination

🔬 How It Works

EvoGrad makes evolutionary algorithms differentiable through:

1. Reparameterisation Trick: Convert random sampling into deterministic transformations of parameter-free noise:

   x = g_θ(ε), ε ~ p(ε)  →  ∇_θ L ≈ ∇_θ f(g_θ(ε))
   

2. Gumbel-Softmax: Differentiable approximation for categorical selection:

   # Soft selection (differentiable)
   probs = softmax((log_probs + gumbel_noise) / temperature)
   selected = probs @ population  # Weighted combination
   

3. Binary-Concrete: Differentiable approximation for binary masks (mutation/crossover):

   # Soft mask (differentiable)
   mask = sigmoid((log(u) - log(1-u) + logits) / temperature)
   # Straight-through estimator for hard decisions
   hard_mask = (mask > 0.5).float() - mask.detach() + mask
   

4. Pathwise Gradients: For continuous distributions (Gaussian sampling in CMA-ES):

   # x = μ + σ * L @ z, z ~ N(0, I)
   z = torch.randn(pop_size, n_var)
   x = mean + sigma * (L @ z.T).T  # Fully differentiable
   

📊 Benchmarks

TODO

📖 Citation

TBA

📄 License

This project is licensed under the Apache-2.0 License - see the LICENSE file for details.

🤝 Contributing

Contributions are welcome! Please feel free to submit a Pull Request. For major changes, please open an issue first to discuss what you would like to change.

1. Fork the repository
2. Create your feature branch (git checkout -b feature/amazing-feature)
3. Commit your changes (git commit -m 'Add amazing feature')
4. Push to the branch (git push origin feature/amazing-feature)
5. Open a Pull Request

🙏 Acknowledgements

• Inspired by pymoo for API design
• Built with PyTorch for automatic differentiation