Multi-biomarker panel selection on a GPU

Liquid chromatography-based tandem mass spectrometry (LC-MS) technique allows for identification and quantification of thousands of proteins in parallel. This technique coupled with a feed-forward artificial neural network provides a technique to analyze and select protein panels for use in multi-biomarker panel discovery applications. In this study, we enhance this technique by utilizing massively parallel computation enabled by a high-end Graphics Processing Unit (GPU). We utilize a GPU-based back-propagation feed-forward artificial neural network to help select an optimal panel of protein biomarkers for breast cancer diagnosis. By exploiting the GPU particularly for accelerating optimal biomarker panel discovery, we achieved a computation speedup of 32.2X over a comparable sequential program implemented on a CPU. GPUs have become a cost-effective alternative, offering end-user high-performance computing alternative to computer cluster or cloud computing. We showed how to achieve substantial improvement in computation using domain-specific parallel computing on a GPU. This approach can be generalized to other bioinformatics problems.

[1]  Stephen T. C. Wong,et al.  Biomarker Discovery for Risk Stratification of Cardiovascular Events using an Improved Genetic Algorithm , 2006, 2006 IEEE/NLM Life Science Systems and Applications Workshop.

[2]  Christian W Klampfl,et al.  Review coupling of capillary electrochromatography to mass spectrometry. , 2004, Journal of chromatography. A.

[3]  Russell C. Eberhart,et al.  Computational intelligence - concepts to implementations , 2007 .

[4]  Pang-Ning Tan,et al.  Receiver Operating Characteristic , 2009, Encyclopedia of Database Systems.

[5]  Mingyi Wang,et al.  A GMM-IG framework for selecting genes as expression panel biomarkers , 2010, Artif. Intell. Medicine.

[6]  William H. Press,et al.  Numerical recipes in C. The art of scientific computing , 1987 .

[7]  C. Metz Basic principles of ROC analysis. , 1978, Seminars in nuclear medicine.

[8]  Fan Zhang,et al.  A neural network approach to multi-biomarker panel development based on LC/MS/MS proteomics profiles: A case study in breast cancer , 2009, 2009 22nd IEEE International Symposium on Computer-Based Medical Systems.

[9]  Ioannis P. Vlahavas,et al.  Biological Data Mining , 2007 .

[10]  Will Tribbey,et al.  Numerical Recipes: The Art of Scientific Computing (3rd Edition) is written by William H. Press, Saul A. Teukolsky, William T. Vetterling, and Brian P. Flannery, and published by Cambridge University Press, © 2007, hardback, ISBN 978-0-521-88068-8, 1235 pp. , 1987, SOEN.

[11]  Alexandru Floares,et al.  Mining knowledge and data to discover intelligent molecular biomarkers: Prostate cancer i-Biomarkers , 2010, 4th International Workshop on Soft Computing Applications.

[12]  J. E. Glynn,et al.  Numerical Recipes: The Art of Scientific Computing , 1989 .

[13]  M. Gergov BY LIQUID CHROMATOGRAPHY – MASS SPECTROMETRY , 2004 .

[14]  Kurt Hornik,et al.  Multilayer feedforward networks are universal approximators , 1989, Neural Networks.