An Algorithm for Testing 2-Asummability of Boolean Functions

Simple algorithms have been developed to generate pairs of minterms forming a given 2-sum and thereby to test 2-asummability of switching functions. The 2-asummability testing procedure can be easily implemented on the computer. Since 2-asummability is a necessary and sufficient condition for a switching function of upto eight variables to be linearly separable (LS), it can be used for testing LS switching functions of upto eight variables.

Matrix Processors Using p-adic Arithmetic for Exact Linear Computations

A unique code (called Hensel's code) is derived for a rational number by truncating its infinite p-adic expansion. The four basic arithmetic algorithms for these codes are described and their application to rational matrix computations is demonstrated by solving a system of linear equations exactly, using the Gaussian elimination procedure.

Error, Confidence, and Cost in Engineering Computations

The questions that one should answer in engineering computations - deterministic, probabilistic/randomized, as well as heuristic - are (i) how good the computed results/outputs are and (ii) how much the cost in terms of amount of computation and the amount of storage utilized in getting the outputs is. The absolutely errorfree quantities as well as the completely errorless computations done in a natural process can never be captured by any means that we have at our disposal. While the computations including the input real quantities in nature/natural processes are exact, all the computations that we do using a digital computer or are carried out in an embedded form are never exact. The input data for such computations are also never exact because any measuring instrument has inherent error of a fixed order associated with it and this error, as a matter of hypothesis and not as a matter of assumption, is not less than 0.005 per cent. Here by error we imply relative error bounds. The fact that exact error is never known under any circumstances and any context implies that the term error is nothing but error-bounds. Further, in engineering computations, it is the relative error or, equivalently, the relative error-bounds (and not the absolute error) which is supremely important in providing us the information regarding the quality of the results/outputs. Another important fact is that inconsistency and/or near-consistency in nature, i.e., in problems created from nature is completely nonexistent while in our modelling of the natural problems we may introduce inconsistency or near-inconsistency due to human error or due to inherent non-removable error associated with any measuring device or due to assumptions introduced to make the problem solvable or more easily solvable in practice. Thus if we discover any inconsistency or possibly any near-inconsistency in a mathematical model, it is certainly due to any or all of the three foregoing factors. We do, however, go ahead to solve such inconsistent/near-consistent problems and do get results that could be useful in real-world situations. The talk considers several deterministic, probabilistic, and heuristic algorithms in numerical optimisation, other numerical and statistical computations, and in PAC (probably approximately correct) learning models. It highlights the quality of the results/outputs through specifying relative error-bounds along with the associated confidence level, and the cost, viz., amount of computations and that of storage through complexity. It points out the limitation in error-free computations (wherever possible, i.e., where the number of arithmetic operations is finite and is known a priori) as well as in the usage of interval arithmetic. Further, the interdependence among the error, the confidence, and the cost is discussed.

An embedded grid adaptation strategy for unstructured data based finite volume computations

A grid adaptation strategy for unstructured data based codes, employing a combination of hexahedral and prismatic elements, generalizable to tetrahedral and pyramidal elements has been developed.

Integrated parallelization of computations and visualization for large-scale applications

Critical applications like cyclone tracking and earthquake modeling require simultaneous high-performance simulations and online visualization for timely analysis. Faster simulations and simultaneous visualization enable scientists provide real-time guidance to decision makers. In this work, we have developed an integrated user-driven and automated steering framework that simultaneously performs numerical simulations and efficient online remote visualization of critical weather applications in resource-constrained environments. It considers application dynamics like the criticality of the application and resource dynamics like the storage space, network bandwidth and available number of processors to adapt various application and resource parameters like simulation resolution, simulation rate and the frequency of visualization. We formulate the problem of finding an optimal set of simulation parameters as a linear programming problem. This leads to 30% higher simulation rate and 25-50% lesser storage consumption than a naive greedy approach. The framework also provides the user control over various application parameters like region of interest and simulation resolution. We have also devised an adaptive algorithm to reduce the lag between the simulation and visualization times. Using experiments with different network bandwidths, we find that our adaptive algorithm is able to reduce lag as well as visualize the most representative frames.

Premixed flame response to equivalence ratio fluctuations: Comparison between reduced order modeling and detailed computations

Combustion instability events in lean premixed combustion systems can cause spatio-temporal variations in unburnt mixture fuel/air ratio. This provides a driving mechanism for heat-release oscillations when they interact with the flame. Several Reduced Order Modelling (ROM) approaches to predict the characteristics of these oscillations have been developed in the past. The present paper compares results for flame describing function characteristics determined from a ROM approach based on the level-set method, with corresponding results from detailed, fully compressible reacting flow computations for the same two dimensional slot flame configuration. The comparison between these results is seen to be sensitive to small geometric differences in the shape of the nominally steady flame used in the two computations. When the results are corrected to account for these differences, describing function magnitudes are well predicted for frequencies lesser than and greater than a lower and upper cutoff respectively due to amplification of flame surface wrinkling by the convective Darrieus-Landau (DL) instability. However, good agreement in describing function phase predictions is seen as the ROM captures the transit time of wrinkles through the flame correctly. Also, good agreement is seen for both magnitude and phase of the flame response, for large forcing amplitudes, at frequencies where the DL instability has a minimal influence. Thus, the present ROM can predict flame response as long as the DL instability, caused by gas expansion at the flame front, does not significantly alter flame front perturbation amplitudes as they traverse the flame. (C) 2012 The Combustion Institute. Published by Elsevier Inc. All rights reserved.

Operator-splitting finite element algorithms for computations of high-dimensional parabolic problems

An operator-splitting finite element method for solving high-dimensional parabolic equations is presented. The stability and the error estimates are derived for the proposed numerical scheme. Furthermore, two variants of fully-practical operator-splitting finite element algorithms based on the quadrature points and the nodal points, respectively, are presented. Both the quadrature and the nodal point based operator-splitting algorithms are validated using a three-dimensional (3D) test problem. The numerical results obtained with the full 3D computations and the operator-split 2D + 1D computations are found to be in a good agreement with the analytical solution. Further, the optimal order of convergence is obtained in both variants of the operator-splitting algorithms. (C) 2012 Elsevier Inc. All rights reserved.

Tiling stencil computations to maximize parallelism

Most stencil computations allow tile-wise concurrent start, i.e., there always exists a face of the iteration space and a set of tiling hyperplanes such that all tiles along that face can be started concurrently. This provides load balance and maximizes parallelism. However, existing automatic tiling frameworks often choose hyperplanes that lead to pipelined start-up and load imbalance. We address this issue with a new tiling technique that ensures concurrent start-up as well as perfect load-balance whenever possible. We first provide necessary and sufficient conditions on tiling hyperplanes to enable concurrent start for programs with affine data accesses. We then provide an approach to find such hyperplanes. Experimental evaluation on a 12-core Intel Westmere shows that our code is able to outperform a tuned domain-specific stencil code generator by 4% to 27%, and previous compiler techniques by a factor of 2x to 10.14x.

Efficient asynchronous executions of AMR computations and visualization on a GPU system

Adaptive Mesh Refinement is a method which dynamically varies the spatio-temporal resolution of localized mesh regions in numerical simulations, based on the strength of the solution features. In-situ visualization plays an important role for analyzing the time evolving characteristics of the domain structures. Continuous visualization of the output data for various timesteps results in a better study of the underlying domain and the model used for simulating the domain. In this paper, we develop strategies for continuous online visualization of time evolving data for AMR applications executed on GPUs. We reorder the meshes for computations on the GPU based on the users input related to the subdomain that he wants to visualize. This makes the data available for visualization at a faster rate. We then perform asynchronous executions of the visualization steps and fix-up operations on the CPUs while the GPU advances the solution. By performing experiments on Tesla S1070 and Fermi C2070 clusters, we found that our strategies result in 60% improvement in response time and 16% improvement in the rate of visualization of frames over the existing strategy of performing fix-ups and visualization at the end of the timesteps.

Lower bounds for testing triangle-freeness in Boolean functions

Given a Boolean function , we say a triple (x, y, x + y) is a triangle in f if . A triangle-free function contains no triangle. If f differs from every triangle-free function on at least points, then f is said to be -far from triangle-free. In this work, we analyze the query complexity of testers that, with constant probability, distinguish triangle-free functions from those -far from triangle-free. Let the canonical tester for triangle-freeness denotes the algorithm that repeatedly picks x and y uniformly and independently at random from , queries f(x), f(y) and f(x + y), and checks whether f(x) = f(y) = f(x + y) = 1. Green showed that the canonical tester rejects functions -far from triangle-free with constant probability if its query complexity is a tower of 2's whose height is polynomial in . Fox later improved the height of the tower in Green's upper bound to . A trivial lower bound of on the query complexity is immediate. In this paper, we give the first non-trivial lower bound for the number of queries needed. We show that, for every small enough , there exists an integer such that for all there exists a function depending on all n variables which is -far from being triangle-free and requires queries for the canonical tester. We also show that the query complexity of any general (possibly adaptive) one-sided tester for triangle-freeness is at least square root of the query complexity of the corresponding canonical tester. Consequently, this means that any one-sided tester for triangle-freeness must make at least queries.

An Optimizing Code Generator for a Class of Lattice-Boltzmann Computations

The Lattice-Boltzmann method (LBM), a promising new particle-based simulation technique for complex and multiscale fluid flows, has seen tremendous adoption in recent years in computational fluid dynamics. Even with a state-of-the-art LBM solver such as Palabos, a user has to still manually write the program using library-supplied primitives. We propose an automated code generator for a class of LBM computations with the objective to achieve high performance on modern architectures. Few studies have looked at time tiling for LBM codes. We exploit a key similarity between stencils and LBM to enable polyhedral optimizations and in turn time tiling for LBM. We also characterize the performance of LBM with the Roofline performance model. Experimental results for standard LBM simulations like Lid Driven Cavity, Flow Past Cylinder, and Poiseuille Flow show that our scheme consistently outperforms Palabos-on average by up to 3x while running on 16 cores of an Intel Xeon (Sandybridge). We also obtain an improvement of 2.47x on the SPEC LBM benchmark.

Structure of the benzene center dot center dot center dot ICI complex: A UVPES and ab initio molecular orbital study

UVPES studies and ab initio and DFT computations have been done on the benzene...ICl complex; electron spectral data and computed orbital energies show that donor orbitals are stabilized and acceptor orbitals are destabilized due to complexation. Calculations predict an oblique structure for the complex in which the interacting site is a C=C bond center in the donor and iodine atom in the acceptor, in full agreement with earlier experimental reports. BSSE-corrected binding energies closely match the enthalpy of complexation reported, and the NBO analysis clearly reveals the involvement of the pi orbital of benzene and the sigma* orbital of ICl in the complex.

Fluctuations in protein synthesis from a single RNA template: Stochastic kinetics of ribosomes

Proteins are polymerized by cyclic machines called ribosomes, which use their messenger RNA (mRNA) track also as the corresponding template, and the process is called translation. We explore, in depth and detail, the stochastic nature of the translation. We compute various distributions associated with the translation process; one of them-namely, the dwell time distribution-has been measured in recent single-ribosome experiments. The form of the distribution, which fits best with our simulation data, is consistent with that extracted from the experimental data. For our computations, we use a model that captures both the mechanochemistry of each individual ribosome and their steric interactions. We also demonstrate the effects of the sequence inhomogeneities of real genes on the fluctuations and noise in translation. Finally, inspired by recent advances in the experimental techniques of manipulating single ribosomes, we make theoretical predictions on the force-velocity relation for individual ribosomes. In principle, all our predictions can be tested by carrying out in vitro experiments.