Computational Particle Physics for Event Generators and Data Analysis

High-energy physics data analysis relies heavily on the comparison between experimental and simulated data as stressed lately by the Higgs search at LHC and the recent identification of a Higgs-like new boson. The first link in the full simulation chain is the event generation both for background and for expected signals. Nowadays event generators are based on the automatic computation of matrix element or amplitude for each process of interest. Moreover, recent analysis techniques based on the matrix element likelihood method assign probabilities for every event to belong to any of a given set of possible processes. This method originally used for the top mass measurement, although computing intensive, has shown its power at LHC to extract the new boson signal from the background. Serving both needs, the automatic calculation of matrix element is therefore more than ever of prime importance for particle physics. Initiated in the eighties, the techniques have matured for the lowest order calculations (tree-level), but become complex and CPU time consuming when higher order calculations involving loop diagrams are necessary like for QCD processes at LHC. New calculation techniques for next-to-leading order (NLO) have surfaced making possible the generation of processes with many final state particles (up to 6). If NLO calculations are in many cases under control, although not yet fully automatic, even higher precision calculations involving processes at 2-loops or more remain a big challenge. After a short introduction to particle physics and to the related theoretical framework, we will review some of the computing techniques that have been developed to make these calculations automatic. The main available packages and some of the most important applications for simulation and data analysis, in particular at LHC will also be summarized.Comment: 19 pages, 11 figures, Proceedings of CCP (Conference on Computational Physics) Oct. 2012, Osaka (Japan) in IOP Journal of Physics: Conference Serie

Tiramisu: A Polyhedral Compiler for Expressing Fast and Portable Code

This paper introduces Tiramisu, a polyhedral framework designed to generate high performance code for multiple platforms including multicores, GPUs, and distributed machines. Tiramisu introduces a scheduling language with novel extensions to explicitly manage the complexities that arise when targeting these systems. The framework is designed for the areas of image processing, stencils, linear algebra and deep learning. Tiramisu has two main features: it relies on a flexible representation based on the polyhedral model and it has a rich scheduling language allowing fine-grained control of optimizations. Tiramisu uses a four-level intermediate representation that allows full separation between the algorithms, loop transformations, data layouts, and communication. This separation simplifies targeting multiple hardware architectures with the same algorithm. We evaluate Tiramisu by writing a set of image processing, deep learning, and linear algebra benchmarks and compare them with state-of-the-art compilers and hand-tuned libraries. We show that Tiramisu matches or outperforms existing compilers and libraries on different hardware architectures, including multicore CPUs, GPUs, and distributed machines.Comment: arXiv admin note: substantial text overlap with arXiv:1803.0041

ELSI: A Unified Software Interface for Kohn-Sham Electronic Structure Solvers

Solving the electronic structure from a generalized or standard eigenproblem is often the bottleneck in large scale calculations based on Kohn-Sham density-functional theory. This problem must be addressed by essentially all current electronic structure codes, based on similar matrix expressions, and by high-performance computation. We here present a unified software interface, ELSI, to access different strategies that address the Kohn-Sham eigenvalue problem. Currently supported algorithms include the dense generalized eigensolver library ELPA, the orbital minimization method implemented in libOMM, and the pole expansion and selected inversion (PEXSI) approach with lower computational complexity for semilocal density functionals. The ELSI interface aims to simplify the implementation and optimal use of the different strategies, by offering (a) a unified software framework designed for the electronic structure solvers in Kohn-Sham density-functional theory; (b) reasonable default parameters for a chosen solver; (c) automatic conversion between input and internal working matrix formats, and in the future (d) recommendation of the optimal solver depending on the specific problem. Comparative benchmarks are shown for system sizes up to 11,520 atoms (172,800 basis functions) on distributed memory supercomputing architectures.Comment: 55 pages, 14 figures, 2 table

A differential algebra based importance sampling method for impact probability computation on Earth resonant returns of Near Earth Objects

A differential algebra based importance sampling method for uncertainty propagation and impact probability computation on the first resonant returns of Near Earth Objects is presented in this paper. Starting from the results of an orbit determination process, we use a differential algebra based automatic domain pruning to estimate resonances and automatically propagate in time the regions of the initial uncertainty set that include the resonant return of interest. The result is a list of polynomial state vectors, each mapping specific regions of the uncertainty set from the observation epoch to the resonant return. Then, we employ a Monte Carlo importance sampling technique on the generated subsets for impact probability computation. We assess the performance of the proposed approach on the case of asteroid (99942) Apophis. A sensitivity analysis on the main parameters of the technique is carried out, providing guidelines for their selection. We finally compare the results of the proposed method to standard and advanced orbital sampling techniques

Towards Exascale Scientific Metadata Management

Advances in technology and computing hardware are enabling scientists from all areas of science to produce massive amounts of data using large-scale simulations or observational facilities. In this era of data deluge, effective coordination between the data production and the analysis phases hinges on the availability of metadata that describe the scientific datasets. Existing workflow engines have been capturing a limited form of metadata to provide provenance information about the identity and lineage of the data. However, much of the data produced by simulations, experiments, and analyses still need to be annotated manually in an ad hoc manner by domain scientists. Systematic and transparent acquisition of rich metadata becomes a crucial prerequisite to sustain and accelerate the pace of scientific innovation. Yet, ubiquitous and domain-agnostic metadata management infrastructure that can meet the demands of extreme-scale science is notable by its absence. To address this gap in scientific data management research and practice, we present our vision for an integrated approach that (1) automatically captures and manipulates information-rich metadata while the data is being produced or analyzed and (2) stores metadata within each dataset to permeate metadata-oblivious processes and to query metadata through established and standardized data access interfaces. We motivate the need for the proposed integrated approach using applications from plasma physics, climate modeling and neuroscience, and then discuss research challenges and possible solutions

Long term nonlinear propagation of uncertainties in perturbed geocentric dynamics using automatic domain splitting

Current approaches to uncertainty propagation in astrodynamics mainly refer tolinearized models or Monte Carlo simulations. Naive linear methods fail in nonlinear dynamics, whereas Monte Carlo simulations tend to be computationallyintensive. Differential algebra has already proven to be an efficient compromiseby replacing thousands of pointwise integrations of Monte Carlo runs with thefast evaluation of the arbitrary order Taylor expansion of the flow of the dynamics. However, the current implementation of the DA-based high-order uncertainty propagator fails in highly nonlinear dynamics or long term propagation. We solve this issue by introducing automatic domain splitting. During propagation, the polynomial of the current state is split in two polynomials when its accuracy reaches a given threshold. The resulting polynomials accurately track uncertainties, even in highly nonlinear dynamics and long term propagations. Furthermore, valuable additional information about the dynamical system is available from the pattern in which those automatic splits occur. From this pattern it is immediately visible where the system behaves chaotically and where its evolution is smooth. Furthermore, it is possible to deduce the behavior of the system for each region, yielding further insight into the dynamics. In this work, the method is applied to the analysis of an end-of-life disposal trajectory of the INTEGRAL spacecraft