Workshop Framework Examples

This directory contains comprehensive examples demonstrating how to use the Workshop framework for generative modeling with JAX/Flax.

🚀 Quick Start

Prerequisites

# Install Workshop with all dependencies
uv sync --all-extras

# For CPU-only execution (recommended for testing)
export JAX_PLATFORMS=cpu

Running Examples

# Basic examples
python examples/generative_models/diffusion/simple_diffusion_example.py
python examples/generative_models/vae/vae_mnist.py
python examples/generative_models/gan/simple_gan.py

# Framework features demonstration
python examples/generative_models/framework_features_demo.py

📁 Directory Structure

examples/
├── README.md                              # This file
├── generative_models/                     # All generative modeling examples
│   ├── audio/                            # Audio generation examples
│   ├── config/                           # Configuration examples
│   ├── deployments/                      # Model deployment examples
│   ├── diffusion/                        # Diffusion model examples
│   │   └── simple_diffusion_example.py   # Basic diffusion implementation
│   ├── distributed/                      # Distributed training examples
│   ├── energy/                            # Energy-Based Model examples
│   │   └── simple_ebm_example.py         # Basic EBM implementation
│   ├── geometric/                        # Geometric modeling examples
│   │   ├── geometric_benchmark_demo.py   # Benchmark suite
│   │   ├── geometric_losses_demo.py      # Specialized loss functions
│   │   ├── geometric_models_demo.py      # Model architectures
│   │   └── simple_point_cloud_example.py # Point cloud processing
│   ├── image/                            # Image generation examples
│   │   ├── diffusion/                    # Image diffusion models
│   │   ├── gan/                          # GAN models
│   │   └── vae/                          # VAE models
│   ├── multimodal/                       # Multi-modal examples
│   ├── optimization/                     # Optimization examples
│   ├── protein/                          # Protein modeling examples
│   │   ├── protein_diffusion_example.py  # Comprehensive protein diffusion
│   │   ├── protein_diffusion_tech_validation.py # Technical validation
│   │   ├── protein_extensions_example.py # Extension mechanisms
│   │   ├── protein_extensions_with_config.py # Config-driven modeling
│   │   ├── protein_ligand_benchmark_demo.py # Protein-ligand interactions
│   │   ├── protein_model_extension.py    # Model extensions
│   │   ├── protein_model_with_modality.py # Multi-modal protein modeling
│   │   └── protein_point_cloud_example.py # Point cloud representations
│   ├── sampling/                         # Advanced sampling techniques
│   │   └── blackjax_example.py          # MCMC sampling with BlackJAX
│   ├── text/                             # Text generation examples
│   ├── vae/                              # VAE examples
│   │   └── multi_beta_vae_benchmark_demo.py # β-VAE benchmarking
│   └── loss_examples.py                  # Comprehensive loss functions
├── utils/                                 # Utility modules
│   └── demo_utils.py                     # Shared helper functions
└── tests/                                 # Example-specific tests

🎯 Featured Examples

Protein Modeling

generative_models/protein/protein_diffusion_example.py

Comprehensive protein diffusion modeling example - Our flagship example showcasing both high-level API and direct model approaches for protein structure generation.

• High-level API with extensions: Demonstrates protein-specific extensions and constraints
• Direct model creation: Shows how to create and manipulate models directly
• Visualization & quality assessment: Complete pipeline from generation to analysis
• Size matching fixes: Robust handling of different structure sizes

generative_models/protein/protein_extensions_with_config.py

Configuration-driven protein modeling with extension system.

generative_models/protein/protein_ligand_benchmark_demo.py

Benchmark demonstrations for protein-ligand interaction modeling.

generative_models/protein/protein_point_cloud_example.py

Point cloud representations for protein structure modeling.

Geometric Modeling

generative_models/geometric/geometric_benchmark_demo.py

Comprehensive benchmark suite for geometric generative models.

generative_models/geometric/geometric_losses_demo.py

Specialized loss functions for geometric data.

generative_models/geometric/geometric_models_demo.py

Various geometric model architectures and applications.

generative_models/geometric/simple_point_cloud_example.py

Basic point cloud generation and processing.

Advanced Sampling

generative_models/sampling/blackjax_example.py

MCMC sampling integration - Advanced sampling techniques using BlackJAX.

• HMC (Hamiltonian Monte Carlo)
• NUTS (No-U-Turn Sampler)
• MALA (Metropolis-Adjusted Langevin Algorithm)

Energy-Based Models

generative_models/energy/simple_ebm_example.py

Energy-Based Model implementation - Comprehensive example of EBMs with MCMC sampling.

• Energy function computation
• Langevin dynamics sampling
• Contrastive divergence training
• Persistent contrastive divergence with sample buffers
• Deep EBM architectures

Diffusion Models

generative_models/diffusion/simple_diffusion_example.py

Basic diffusion model implementation - Simple example demonstrating diffusion model fundamentals.

• SimpleDiffusionModel creation and configuration
• Noise schedule setup (beta schedules)
• Sample generation from noise
• Visualization of generated samples

generative_models/diffusion/dit_demo.py

Diffusion Transformer (DiT) demonstration - Advanced diffusion model using transformer architecture.

• DiffusionTransformer backbone architecture
• DiT model sizes (S, B, L, XL configurations)
• Conditional generation with classifier-free guidance (CFG)
• Patch-based image processing
• Performance benchmarking across model sizes
• Sample generation and visualization

VAE Models

generative_models/vae/multi_beta_vae_benchmark_demo.py

Multi-scale β-VAE benchmarking and evaluation.

Image Generation

The generative_models/image/ directory contains comprehensive examples for:

• Diffusion models: DDPM, LDM for various datasets
• GANs: StyleGAN, CycleGAN implementations
• VAEs: VQ-VAE, standard VAE for image generation

Text Generation

The generative_models/text/ directory includes:

• Transformers: Language models and fine-tuning
• Compression: VQ-VAE for text

🚀 Quick Start

Basic Usage

# Run a simple diffusion example
python examples/generative_models/diffusion/simple_diffusion_example.py

# Run Energy-Based Model example
python examples/generative_models/energy/simple_ebm_example.py

# Run protein diffusion (comprehensive)
python examples/generative_models/protein/protein_diffusion_example.py

# Run BlackJAX sampling
python examples/generative_models/sampling/blackjax_example.py

# Run geometric benchmarks
python examples/generative_models/geometric/geometric_benchmark_demo.py

Prerequisites

Make sure you have activated the Workshop environment:

source ./activate.sh

GPU Support

Most examples are optimized for GPU usage and will automatically use CUDA when available:

import jax
print(f"Backend: {jax.default_backend()}")  # Should show 'gpu' if CUDA is available

🔧 Example Categories

🧬 Protein Modeling

• Structure generation and prediction
• Physical constraints and validation
• Multi-modal protein representations
• Benchmarking and evaluation
• Located in: generative_models/protein/

📐 Geometric Modeling

• Point cloud generation
• 3D shape modeling
• Geometric loss functions
• Benchmark suites
• Located in: generative_models/geometric/

🎲 Advanced Sampling

• MCMC methods (HMC, NUTS, MALA)
• Custom sampling strategies
• Convergence analysis
• Located in: generative_models/sampling/

⚡ Energy-Based Models

• Energy function learning
• MCMC sampling techniques
• Contrastive divergence training
• Persistent sample buffers
• Located in: generative_models/energy/

🌊 Diffusion Models

• DDPM implementations
• Custom noise schedules
• Conditional generation
• Located in: generative_models/diffusion/

🖼️ Image Generation

• Diffusion models for images
• GAN architectures
• VAE variants
• Located in: generative_models/image/

📝 Text Generation

• Transformer models
• Text compression
• Language modeling
• Located in: generative_models/text/

📊 Benchmarking

• Performance evaluation
• Model comparison
• Metrics computation
• Distributed across relevant directories

💡 Usage Tips

Running Examples

1. Environment Setup:

source ./activate.sh  # Activate Workshop environment

1. Navigate to Category:

cd examples/generative_models/protein/  # For protein examples
cd examples/generative_models/geometric/  # For geometric examples
# etc.

1. Run Example:

python protein_diffusion_example.py

GPU Optimization

Examples automatically detect and use GPU when available. Check with:

import jax
print(jax.devices())  # Should show CUDA devices

Modifying Examples

All examples are designed to be educational and modifiable:

• Configuration: Most examples have clear configuration sections at the top
• Modularity: Functions are well-separated for easy customization
• Documentation: Comprehensive docstrings explain each component

Integration with Workshop

Examples demonstrate integration with Workshop's core components:

• Models: workshop.generative_models.models.*
• Factory: workshop.generative_models.factory.*
• Config: workshop.generative_models.core.configuration.*
• Modalities: workshop.generative_models.modalities.*
• Extensions: workshop.generative_models.extensions.*

🧪 Testing Examples

To verify examples work correctly:

# Test imports
python -c "
from examples.generative_models.diffusion import simple_diffusion_example
from examples.generative_models.protein import protein_diffusion_example
print('✅ Basic imports work')
"

# Run specific examples
python examples/generative_models/diffusion/simple_diffusion_example.py
python examples/generative_models/protein/protein_diffusion_example.py

📚 Learn More

• Main Documentation: See the main README.md in the repository root
• API Reference: Check docs/ directory
• Configuration: See src/workshop/generative_models/core/configuration/
• Factory System: See src/workshop/generative_models/factory/

🆘 Troubleshooting

Common Issues

1. Import Errors: Make sure you've activated the environment with source ./activate.sh
2. CUDA Issues: Run python scripts/verify_gpu_setup.py to diagnose GPU problems
3. Memory Issues: Try reducing batch sizes in example configurations
4. Module Not Found: Ensure you're running from the workshop root directory

Getting Help

• Check example docstrings for parameter explanations
• Review the main Workshop documentation
• Look at similar examples in the same category for reference patterns
• Check the imports at the top of each example for required dependencies

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Note: Examples are continuously updated to demonstrate the latest Workshop features. The organized structure makes it easier to find relevant examples for your use case.