Analysis, Tracing, Characterization and Performance Modeling of Select ASCI Applications for BlueGene/L Using Parallel Discrete Event Simulation

Caltech's Jet Propulsion Laboratory (JPL) and Center for Advanced Computer Architecture (CACR) are conducting application and simulation analyses of Blue Gene/L[1] in order to establish a range of effectiveness of the architecture in performing important classes of computations and to determine the design sensitivity of the global interconnect network in support of real world ASCI application execution

Tracing Communications and Computational Workload in LJS (Lennard-Jones with Spatial Decomposition)

LJS (Lennard-Jones with Spatial decomposition) is a molecular dynamics application developed by Steve Plimpton at Sandia National Laboratories [1]. It performs thermodynamic simulations of a system containing fixed large number (millions) of atoms or molecules confined within a regular, three-dimensional domain. Since the simulations model interactions on atomic scale, the computations carried out in a single timestep (iteration) correspond to femtoseconds of the real time. Hence, a meaningful simulation of the evolution of the system's state typically requires a large number (thousands and more) of timesteps. The particles in LJS are represented as material points subjected to forces resulting from interactions with other particles. While the general case involves N-body solvers, LJS implements only pair-wise material point interactions using derivative of Lennard-Jones potential energy for each particle pair to evaluate the acting forces. The velocities and positions of particles are updated by integrating Newton's equations (classical molecular dynamics). The interaction range depends on the modeled problem type; LJS focuses on short-range forces, implementing a cutoff distance rc outside which the interactions are ignored. The computational complexity of O(N2), characteristic for systems with long-range interactions, is therefore substantially alleviated. LJS deploys spatial decomposition of the domain volume to distribute the computations across the available processors on a parallel computer. The decomposition process uniformly divides parallelepiped containing all particles into volumes equal in size and as close in shape to a cube as possible, assigning each of such formed cells to a CPU. The correctness of computations requires the positions of some particles (depending on the value of rc) residing in the neighboring cells to be known to the local process. This information is exchanged in every timestep via explicit communication with the neighbor nodes in all three dimensions (for details see [2]). LJS also takes the advantage of the third Newton's law to calculate the force only once per particle pair; if the involved particles belong to cells located on different processors, the results are forwarded to the other node in a "reverse communication" phase. Besides communications occurring in every iteration, additional messages are sent once every preset number of timesteps. Their purpose is to adjust cell assignments of particles due to their movement. To minimize the overhead of the construction of particle neighbor lists, LJS replaces rc with extended cutoff radius rs (rs > rc), which accounts for possible particle movement before any list updates need to be carried out. Due to a relatively small impact of that phase on the overall behavior of the application, we ignored it in our analysis

Are v1 simple cells optimized for visual occlusions? : A comparative study

Abstract: Simple cells in primary visual cortex were famously found to respond to low-level image components such as edges. Sparse coding and independent component analysis (ICA) emerged as the standard computational models for simple cell coding because they linked their receptive fields to the statistics of visual stimuli. However, a salient feature of image statistics, occlusions of image components, is not considered by these models. Here we ask if occlusions have an effect on the predicted shapes of simple cell receptive fields. We use a comparative approach to answer this question and investigate two models for simple cells: a standard linear model and an occlusive model. For both models we simultaneously estimate optimal receptive fields, sparsity and stimulus noise. The two models are identical except for their component superposition assumption. We find the image encoding and receptive fields predicted by the models to differ significantly. While both models predict many Gabor-like fields, the occlusive model predicts a much sparser encoding and high percentages of ‘globular’ receptive fields. This relatively new center-surround type of simple cell response is observed since reverse correlation is used in experimental studies. While high percentages of ‘globular’ fields can be obtained using specific choices of sparsity and overcompleteness in linear sparse coding, no or only low proportions are reported in the vast majority of studies on linear models (including all ICA models). Likewise, for the here investigated linear model and optimal sparsity, only low proportions of ‘globular’ fields are observed. In comparison, the occlusive model robustly infers high proportions and can match the experimentally observed high proportions of ‘globular’ fields well. Our computational study, therefore, suggests that ‘globular’ fields may be evidence for an optimal encoding of visual occlusions in primary visual cortex. Author Summary: The statistics of our visual world is dominated by occlusions. Almost every image processed by our brain consists of mutually occluding objects, animals and plants. Our visual cortex is optimized through evolution and throughout our lifespan for such stimuli. Yet, the standard computational models of primary visual processing do not consider occlusions. In this study, we ask what effects visual occlusions may have on predicted response properties of simple cells which are the first cortical processing units for images. Our results suggest that recently observed differences between experiments and predictions of the standard simple cell models can be attributed to occlusions. The most significant consequence of occlusions is the prediction of many cells sensitive to center-surround stimuli. Experimentally, large quantities of such cells are observed since new techniques (reverse correlation) are used. Without occlusions, they are only obtained for specific settings and none of the seminal studies (sparse coding, ICA) predicted such fields. In contrast, the new type of response naturally emerges as soon as occlusions are considered. In comparison with recent in vivo experiments we find that occlusive models are consistent with the high percentages of center-surround simple cells observed in macaque monkeys, ferrets and mice

Parallel HOP: A Scalable Halo Finder for Massive Cosmological Data Sets

Modern N-body cosmological simulations contain billions ($10^9$) of dark matter particles. These simulations require hundreds to thousands of gigabytes of memory, and employ hundreds to tens of thousands of processing cores on many compute nodes. In order to study the distribution of dark matter in a cosmological simulation, the dark matter halos must be identified using a halo finder, which establishes the halo membership of every particle in the simulation. The resources required for halo finding are similar to the requirements for the simulation itself. In particular, simulations have become too extensive to use commonly-employed halo finders, such that the computational requirements to identify halos must now be spread across multiple nodes and cores. Here we present a scalable-parallel halo finding method called Parallel HOP for large-scale cosmological simulation data. Based on the halo finder HOP, it utilizes MPI and domain decomposition to distribute the halo finding workload across multiple compute nodes, enabling analysis of much larger datasets than is possible with the strictly serial or previous parallel implementations of HOP. We provide a reference implementation of this method as a part of the toolkit yt, an analysis toolkit for Adaptive Mesh Refinement (AMR) data that includes complementary analysis modules. Additionally, we discuss a suite of benchmarks that demonstrate that this method scales well up to several hundred tasks and datasets in excess of $2000^3$ particles. The Parallel HOP method and our implementation can be readily applied to any kind of N-body simulation data and is therefore widely applicable.Comment: 29 pages, 11 figures, 2 table

Comparing families of dynamic causal models

Mathematical models of scientific data can be formally compared using Bayesian model evidence. Previous applications in the biological sciences have mainly focussed on model selection in which one first selects the model with the highest evidence and then makes inferences based on the parameters of that model. This “best model” approach is very useful but can become brittle if there are a large number of models to compare, and if different subjects use different models. To overcome this shortcoming we propose the combination of two further approaches: (i) family level inference and (ii) Bayesian model averaging within families. Family level inference removes uncertainty about aspects of model structure other than the characteristic of interest. For example: What are the inputs to the system? Is processing serial or parallel? Is it linear or nonlinear? Is it mediated by a single, crucial connection? We apply Bayesian model averaging within families to provide inferences about parameters that are independent of further assumptions about model structure. We illustrate the methods using Dynamic Causal Models of brain imaging data