laior 0.6.0

LAIOR: Lorentz Attentive Interpretable ODE Regularized VAE for single-cell omics analysis

LAIOR: Lorentz Attentive Interpretable ODE Regularized VAE

A deep learning framework for single-cell omics analysis combining geometric manifold learning, latent dynamics, and comprehensive interpretability.

LAIOR (Lorentz Attentive Interpretable ODE Regularized VAE) is a PyTorch-based unified framework for single-cell RNA-seq and ATAC-seq analysis (AnnData format) that learns low-dimensional embeddings from raw count matrices using count-likelihood objectives (NB/ZINB/Poisson/ZIP). It integrates (1) Lorentz geometric regularization for hierarchical structure, (2) dual-path information bottleneck architecture for coordinated biological programs, (3) Neural ODE regularization for temporal trajectory stability, and (4) transformer-based attention mechanisms for capturing long-range dependencies.

Key Features

• Advanced VAE Architecture: Dimensionality reduction with count-based likelihoods (NB, ZINB, Poisson, ZIP)
• Geometric Manifold Learning: Lorentz (hyperbolic) or Euclidean regularization for hierarchical structure
• Neural ODE Trajectories: Latent dynamics solved with torchdiffeq (CPU by design). Supports ODE function types legacy, time_mlp (time-conditioned), and gru.
• Comprehensive Interpretability: Attribution analysis for Genes → Latents (discriminative) and Latents → Genes (reconstructive) pathways.
• Flexible Encoders: Standard MLP or Transformer-based with self-attention for capturing complex feature dependencies.
• Information Bottleneck: Hierarchical representation with controllable compression via the i_dim parameter.

Data Requirements

• adata.layers[layer] must contain raw, non-negative integer-like counts (UMI counts).
  LAIOR checks this heuristically and raises a ValueError if the layer looks normalized/log-transformed.
• LAIOR applies its own log1p + clipping / adaptive normalization internally for training.

Installation

pip install liora

Or install from source:

git clone https://github.com/PeterPonyu/Liora.git
cd Liora
pip install -e .

Quick Start

Basic Usage

import scanpy as sc
from liora import LAIOR

# Load your data
adata = sc.read_h5ad('data.h5ad')

# Train with default settings
model = LAIOR(
    adata,
    layer='counts',
    hidden_dim=128,
    latent_dim=10,
    i_dim=2,
)
model.fit(epochs=100)

# Extract embeddings
latent = model.get_latent()

Advanced Configuration

# Transformer encoder + Neural ODE trajectory inference
model = LAIOR(
    adata,
    layer='counts',
    hidden_dim=128,
    latent_dim=10,
    i_dim=2,
    # Encoder configuration
    encoder_type='transformer',
    attn_embed_dim=64,
    attn_num_heads=4,
    attn_num_layers=2,
    attn_seq_len=32,
    # ODE configuration
    use_ode=True,
    ode_type='time_mlp',
    ode_time_cond='concat',
    ode_hidden_dim=64,
    ode_solver_method='dopri5',
    ode_rtol=1e-5,
    ode_atol=1e-7,
    # Loss weights
    lorentz=5.0,
    beta=1.0,
)
model.fit(epochs=200, patience=20)

# Extract results
latent = model.get_latent()           # Latent embeddings
bottleneck = model.get_bottleneck()   # Information bottleneck
pseudotime = model.get_time()         # Predicted pseudotime
transitions = model.get_transition()  # Transition matrix

Note: get_time() and get_transition() require use_ode=True.

Configuration Guide

Architecture Parameters

Parameter	Type	Default	Description
hidden_dim	int	128	Hidden layer dimension
latent_dim	int	10	Primary latent space size
i_dim	int	2	Information bottleneck dimension

Encoder Options

Parameter	Type	Default	Description
encoder_type	str	'mlp'	'mlp' or 'transformer'
attn_embed_dim	int	64	Transformer embedding dimension
attn_num_heads	int	4	Number of attention heads
attn_num_layers	int	2	Transformer encoder layers
attn_seq_len	int	32	Token sequence length

ODE Configuration

Parameter	Type	Default	Description
use_ode	bool	False	Enable Neural ODE
ode_type	str	'time_mlp'	'legacy', 'time_mlp', or 'gru'
ode_time_cond	str	'concat'	'concat', 'film', or 'add'
ode_hidden_dim	int	None	ODE network hidden size
ode_solver_method	str	'rk4'	Solver: 'rk4', 'dopri5', 'adams', etc.
ode_step_size	float	None	Fixed-step size or 'auto'
ode_rtol	float	None	Relative tolerance (adaptive solvers)
ode_atol	float	None	Absolute tolerance (adaptive solvers)

Loss Configuration

Parameter	Type	Default	Description
recon	float	1.0	Reconstruction loss weight
irecon	float	0.0	Bottleneck reconstruction weight
lorentz	float	0.0	Manifold regularization weight
beta	float	1.0	KL divergence weight (β-VAE)
dip	float	0.0	DIP-VAE loss weight
tc	float	0.0	Total Correlation loss weight
info	float	0.0	MMD loss weight
loss_type	str	'nb'	'nb', 'zinb', 'poisson', or 'zip'

Training Parameters

Parameter	Type	Default	Description
lr	float	1e-4	Learning rate
batch_size	int	128	Mini-batch size
train_size	float	0.7	Training set proportion
val_size	float	0.15	Validation set proportion
test_size	float	0.15	Test set proportion

Methods

Training

model.fit(epochs=400, patience=25, val_every=5, early_stop=True)

Extraction

latent = model.get_latent()           # Latent representations
bottleneck = model.get_bottleneck()   # Information bottleneck embeddings
pseudotime = model.get_time()         # Pseudotime (ODE mode)
transitions = model.get_transition()  # Transition probabilities (ODE mode)

Citation

If you use Liora in your research, please cite:

@software{laior2025,
  title = {LAIOR: Lorentz Attentive Interpretable ODE Regularized VAE},
  author = {Zeyu Fu and Jiawei Fu and Chunlin Chen and Keyang Zhang and Junping Wang and Song Wang},
  year = {2025},
  url = {https://github.com/PeterPonyu/Liora}
}

License

MIT License - see LICENSE file for details.

Contributing

Contributions are welcome! See CONTRIBUTING.md for guidelines.

Support

• Issues: GitHub Issues
• Email: [e-mail]
• Documentation: GitHub Repository