gpu_iced Package Demo

Introduction

The elementwise computation of ICE normalization for HiC dataset is highly computationally expensive in particular as super-resolution HiC contact maps are available. To reduce the time of ICE normalization, the massive parallel process power of GPU is leveraged to speedup the process.

The heatmap plotting method is also incoporated to enable visualizing the high resolution contact map on the fly but it is not fully supported.

Quick Look

The module uses the Accelerate and Numba modules in Anaconda to programm the GPU. More information about the dependencies can be found in the Installation section. GTX 1080ti is used for the demo.

import gpu_iced

Setup the inline plotting environment for visualizing contact maps

%matplotlib inline

The ICE normalization functions are wrapped in the ice_norm object. Initialize an ice_norm object by specifying the path for the matrix file in triplet format. In this demo, an instance of ICE correction for a raw matrix in 10kb resolution has been created.

rep1_ice_norm = gpu_iced.ice_norm("rep1_10000.matrix")

Load the matrix and transfer it into the device (GPU) memory. Parameters：

scale: times the matrix with a scaler, default 1

coerce: type the value of the matrix as float if it sets False (default). Otherwise, it will type as int

out_dtype: set the type of the matrix in the GPU device, default np.float32. Set to np.int32 to reduce the GPU memory footprint

filterlow_percent: filter the low coverage bins, default 0.02. Set to 0 to disable filter

include_zero: whether counting zero bins in filter percentage, default False

Using default setting to load matrix

rep1_ice_norm.make_matrix()

Matrix properties:
size: 265503 X 265503
non-zero elements: 388661243
sparsity: 0.005513563362932332
sequence depth: 406869792.0

Matrix properties are returned for reference.

Inspect on the raw matrix before doing ICE normalization

rep1_ice_norm.plotHeatmap_on_the_fly(chromosome='chr16', resolution=10000, names='Example', start=2200, end=2650, 
                            tripleColumn=1, bedFile='rep1_10000_abs.bed', matrixMax = 40, upSide=1,heatmapColor=1)

Perform 50 iters of ICE

%time rep1_ice_norm.ice(epoches=50)

@ 50 round iteration, current eps: 383.386
CPU times: user 11.7 s, sys: 2.63 s, total: 14.4 s
Wall time: 18.4 s

Inspect the ICE normalization effect.

rep1_ice_norm.plotHeatmap_on_the_fly(chromosome='chr16', resolution=10000, names='Example', start=2200, end=2650, 
                            tripleColumn=1, bedFile='rep1_10000_abs.bed', matrixMax = 40, upSide=1,heatmapColor=1)

Save the normalized matrix as triplet table

rep1_ice_norm.write_matrix("rep1_10000_iced.matrix")

Installation

The program relies on the Accelerate and Numba modules in Anaconda to programm the GPU, numpy and scipy for general matrix computation, and pandas and cython for IO. Anaconda provides free academic subscriptions. Besides, a gpu sets up with cuda-tools. Find the installation information of Accelerate and Anaconda from the link. Once you have the prerequisition, copy the script folder and import the gpu_iced to run the matrix correction processes. All programs are running on python3.

Author

Hanbin Lu, [email protected]