Load Balancing in Large Scale Bayesian Inference

We present a novel strategy to improve load balancing for large scale Bayesian inference problems. Load imbalance can be particularly destructive in generation based uncertainty quantification (UQ) methods since all compute nodes in a large-scale allocation have to synchronize after every generation and therefore remain in an idle state until the longest model evaluation finishes. Our strategy relies on the concurrent scheduling of independent Bayesian inference experiments while sharing a group of worker nodes, reducing the destructive effects of workload imbalance in population-based sampling methods. To demonstrate the efficiency of our method, we infer parameters of a red blood cell (RBC) model. We perform a data-driven calibration of the RBC's membrane viscosity by applying hierarchical Bayesian inference methods. To this end, we employ a computational model to simulate the relaxation of an initially stretched RBC towards its equilibrium state. The results of this work advance upon the current state of the art towards realistic blood flow simulations by providing inferred parameters for the RBC membrane viscosity. We show that our strategy achieves a notable reduction in imbalance and significantly improves effective node usage on 512 nodes of the CSCS Piz Daint supercomputer. Our results show that, by enabling multiple independent sampling experiments to run concurrently on a given allocation of supercomputer nodes, our method sustains a high computational efficiency on a large-scale supercomputing setting.

[1]  G. Cokelet,et al.  Rheological Comparison of Hemoglobin Solutions and Erythrocyte Suspensions , 1968, Science.

[2]  O'Neill Barrett,et al.  Living Blood Cells and Their Ultrastructure , 1975 .

[3]  R M Hochmuth,et al.  Membrane viscoelasticity. , 1976, Biophysical journal.

[4]  R. Hochmuth,et al.  Red cell extensional recovery and the determination of membrane viscosity. , 1979, Biophysical journal.

[5]  R M Hochmuth,et al.  Temperature dependence of the viscoelastic recovery of red cell membrane. , 1980, Biophysical journal.

[6]  R. Tran-Son-Tay,et al.  Determination of red blood cell membrane viscosity from rheoscopic observations of tank-treading motion. , 1984, Biophysical journal.

[7]  R M Hochmuth,et al.  Erythrocyte membrane elasticity and viscosity. , 1987, Annual review of physiology.

[8]  Y. Fung,et al.  Mechanics of the Circulation , 2011, Developments in Cardiovascular Medicine.

[9]  Stephen A. Langer,et al.  Viscous Modes of Fluid Bilayer Membranes , 1993 .

[10]  Laxmikant V. Kalé,et al.  CHARM++: a portable concurrent object oriented system based on C++ , 1993, OOPSLA '93.

[11]  P. Español,et al.  Statistical Mechanics of Dissipative Particle Dynamics. , 1995 .

[12]  David B. Dunson,et al.  Bayesian Data Analysis , 2010 .

[13]  Frank Jülicher,et al.  The Morphology of Vesicles of Higher Topological Genus: Conformal Degeneracy and Conformal Modes , 1996 .

[14]  J. Morris,et al.  Modeling Low Reynolds Number Incompressible Flows Using SPH , 1997 .

[15]  P. B. Warren,et al.  DISSIPATIVE PARTICLE DYNAMICS : BRIDGING THE GAP BETWEEN ATOMISTIC AND MESOSCOPIC SIMULATION , 1997 .

[16]  S. Hénon,et al.  A new determination of the shear modulus of the human erythrocyte membrane using optical tweezers. , 1999, Biophysical journal.

[17]  Gediminas Adomavicius,et al.  A Parallel Multilevel Method for Adaptively Refined Cartesian Grids with Embedded Boundaries , 2000 .

[18]  R. Mukhopadhyay,et al.  Stomatocyte–discocyte–echinocyte sequence of the human red blood cell: Evidence for the bilayer– couple hypothesis from membrane mechanics , 2002, Proceedings of the National Academy of Sciences of the United States of America.

[19]  C. Lim,et al.  Mechanics of the human red blood cell deformed by optical tweezers , 2003 .

[20]  Ronald J. Phillips,et al.  Dissipative particle dynamics simulation of flow around spheres and cylinders at finite Reynolds numbers , 2004 .

[21]  Samuel Williams,et al.  The Landscape of Parallel Computing Research: A View from Berkeley , 2006 .

[22]  J. Ching,et al.  Transitional Markov Chain Monte Carlo Method for Bayesian Model Updating, Model Class Selection, and Model Averaging , 2007 .

[23]  George Em Karniadakis,et al.  A multiscale red blood cell model with accurate mechanics, rheology, and dynamics. , 2010, Biophysical journal.

[24]  John K Kruschke,et al.  Bayesian data analysis. , 2010, Wiley interdisciplinary reviews. Cognitive science.

[25]  Margaret H. Wright,et al.  The opportunities and challenges of exascale computing , 2010 .

[26]  K. Parker,et al.  The Mechanics of the Circulation by C. G. Caro , 2011 .

[27]  Wolfgang A Wall,et al.  A novel two-layer, coupled finite element approach for modeling the nonlinear elastic and viscoelastic behavior of human erythrocytes , 2011, Biomechanics and modeling in mechanobiology.

[28]  Timothy J. Pedley,et al.  The Mechanics of the Circulation: Introduction to the Second Edition , 2011 .

[29]  Vassilios V. Dimakopoulos,et al.  A Runtime Library for Platform-Independent Task Parallelism , 2012, 2012 20th Euromicro International Conference on Parallel, Distributed and Network-based Processing.

[30]  Scott B. Baden,et al.  Bamboo -- Translating MPI applications to a latency-tolerant, data-driven form , 2012, 2012 International Conference for High Performance Computing, Networking, Storage and Analysis.

[31]  Thomas M. Fischer,et al.  Threshold shear stress for the transition between tumbling and tank-treading of red blood cells in shear flow: dependence on the viscosity of the suspending medium , 2013, Journal of Fluid Mechanics.

[32]  Qiang Zhu,et al.  Erythrocyte responses in low-shear-rate flows: effects of non-biconcave stress-free state in the cytoskeleton , 2014, Journal of Fluid Mechanics.

[33]  Gerhard Gompper,et al.  Deformation and dynamics of red blood cells in flow through cylindrical microchannels. , 2014, Soft matter.

[34]  Jonathan B. Freund,et al.  Numerical Simulation of Flowing Blood Cells , 2014 .

[35]  Gerhard Gompper,et al.  Behavior of rigid and deformable particles in deterministic lateral displacement devices with different post shapes. , 2015, The Journal of chemical physics.

[36]  Costas Papadimitriou,et al.  Π4U: A high performance computing framework for Bayesian uncertainty quantification of complex models , 2015, J. Comput. Phys..

[37]  Massimo Bernaschi,et al.  The in-silico lab-on-a-chip: petascale and high-throughput simulations of microfluidics at cell resolution , 2015, SC15: International Conference for High Performance Computing, Networking, Storage and Analysis.

[38]  Costas Papadimitriou,et al.  Exploiting Task-Based Parallelism in Bayesian Uncertainty Quantification , 2015, Euro-Par.

[39]  Franck Nicoud,et al.  Red cells’ dynamic morphologies govern blood shear thinning under microcirculatory flow conditions , 2016, Proceedings of the National Academy of Sciences.

[40]  Costas Papadimitriou,et al.  Bayesian Annealed Sequential Importance Sampling: An Unbiased Version of Transitional Markov Chain Monte Carlo , 2018 .

[41]  Laxmikant V. Kalé,et al.  Multi-Level Load Balancing with an Integrated Runtime Approach , 2018, 2018 18th IEEE/ACM International Symposium on Cluster, Cloud and Grid Computing (CCGRID).

[42]  Prosenjit Bagchi,et al.  Analysis of red blood cell partitioning at bifurcations in simulated microvascular networks , 2018 .

[43]  G. Biros,et al.  Optimal design of deterministic lateral displacement device for viscosity-contrast-based cell sorting , 2018, Physical Review Fluids.

[44]  Scott B. Baden,et al.  MATE, a Unified Model for Communication-Tolerant Scientific Applications , 2018, LCPC.

[45]  Panagiotis Angelikopoulos,et al.  Hierarchical Stochastic Model in Bayesian Inference for Engineering Applications: Theoretical Implications and Efficient Approximation , 2018, ASCE-ASME J Risk and Uncert in Engrg Sys Part B Mech Engrg.

[46]  Franck Nicoud,et al.  Flow-Induced Transitions of Red Blood Cell Shapes under Shear. , 2018, Physical review letters.

[47]  Petros Koumoutsakos,et al.  Bending models of lipid bilayer membranes: spontaneous curvature and area-difference elasticity , 2019, Computer Methods in Applied Mechanics and Engineering.

[48]  Petros Koumoutsakos,et al.  Mirheo: High-Performance Mesoscale Simulations for Microfluidics , 2019, Comput. Phys. Commun..