GeantV: Results from the prototype of concurrent vector particle transport simulation in HEP

Full detector simulation was among the largest CPU consumer in all CERN experiment software stacks for the first two runs of the Large Hadron Collider (LHC). In the early 2010's, the projections were that simulation demands would scale linearly with luminosity increase, compensated only partially by an increase of computing resources. The extension of fast simulation approaches to more use cases, covering a larger fraction of the simulation budget, is only part of the solution due to intrinsic precision limitations. The remainder corresponds to speeding-up the simulation software by several factors, which is out of reach using simple optimizations on the current code base. In this context, the GeantV R&D project was launched, aiming to redesign the legacy particle transport codes in order to make them benefit from fine-grained parallelism features such as vectorization, but also from increased code and data locality. This paper presents extensively the results and achievements of this R&D, as well as the conclusions and lessons learnt from the beta prototype.Comment: 34 pages, 26 figures, 24 table

A highly optimized vectorized code for Monte Carlo simulations of SU(3) lattice gauge theories

New methods are introduced for improving the performance of the vectorized Monte Carlo SU(3) lattice gauge theory algorithm using the CDC CYBER 205. Structure, algorithm and programming considerations are discussed. The performance achieved for a 16(4) lattice on a 2-pipe system may be phrased in terms of the link update time or overall MFLOPS rates. For 32-bit arithmetic, it is 36.3 microsecond/link for 8 hits per iteration (40.9 microsecond for 10 hits) or 101.5 MFLOPS

DOLPHIn - Dictionary Learning for Phase Retrieval

We propose a new algorithm to learn a dictionary for reconstructing and sparsely encoding signals from measurements without phase. Specifically, we consider the task of estimating a two-dimensional image from squared-magnitude measurements of a complex-valued linear transformation of the original image. Several recent phase retrieval algorithms exploit underlying sparsity of the unknown signal in order to improve recovery performance. In this work, we consider such a sparse signal prior in the context of phase retrieval, when the sparsifying dictionary is not known in advance. Our algorithm jointly reconstructs the unknown signal - possibly corrupted by noise - and learns a dictionary such that each patch of the estimated image can be sparsely represented. Numerical experiments demonstrate that our approach can obtain significantly better reconstructions for phase retrieval problems with noise than methods that cannot exploit such "hidden" sparsity. Moreover, on the theoretical side, we provide a convergence result for our method

goSLP: Globally Optimized Superword Level Parallelism Framework

Modern microprocessors are equipped with single instruction multiple data (SIMD) or vector instruction sets which allow compilers to exploit superword level parallelism (SLP), a type of fine-grained parallelism. Current SLP auto-vectorization techniques use heuristics to discover vectorization opportunities in high-level language code. These heuristics are fragile, local and typically only present one vectorization strategy that is either accepted or rejected by a cost model. We present goSLP, a novel SLP auto-vectorization framework which solves the statement packing problem in a pairwise optimal manner. Using an integer linear programming (ILP) solver, goSLP searches the entire space of statement packing opportunities for a whole function at a time, while limiting total compilation time to a few minutes. Furthermore, goSLP optimally solves the vector permutation selection problem using dynamic programming. We implemented goSLP in the LLVM compiler infrastructure, achieving a geometric mean speedup of 7.58% on SPEC2017fp, 2.42% on SPEC2006fp and 4.07% on NAS benchmarks compared to LLVM's existing SLP auto-vectorizer.Comment: Published at OOPSLA 201

Runtime Optimizations for Prediction with Tree-Based Models

Tree-based models have proven to be an effective solution for web ranking as well as other problems in diverse domains. This paper focuses on optimizing the runtime performance of applying such models to make predictions, given an already-trained model. Although exceedingly simple conceptually, most implementations of tree-based models do not efficiently utilize modern superscalar processor architectures. By laying out data structures in memory in a more cache-conscious fashion, removing branches from the execution flow using a technique called predication, and micro-batching predictions using a technique called vectorization, we are able to better exploit modern processor architectures and significantly improve the speed of tree-based models over hard-coded if-else blocks. Our work contributes to the exploration of architecture-conscious runtime implementations of machine learning algorithms

ExoCross: a general program for generating spectra from molecular line lists

ExoCross is a Fortran code for generating spectra (emission, absorption) and thermodynamic properties (partition function, specific heat etc.) from molecular line lists. Input is taken in several formats, including ExoMol and HITRAN formats. ExoCross is efficiently parallelized showing also a high degree of vectorization. It can work with several line profiles such as Doppler, Lorentzian and Voigt and support several broadening schemes. Voigt profiles are handled by several methods allowing fast and accurate simulations. Two of these methods are new. ExoCross is also capable of working with the recently proposed method of super-lines. It supports calculations of lifetimes, cooling functions, specific heats and other properties. ExoCross can be used to convert between different formats, such as HITRAN, ExoMol and Phoenix. It is capable of simulating non-LTE spectra using a simple two-temperature approach. Different electronic, vibronic or vibrational bands can be simulated separately using an efficient filtering scheme based on the quantum numbers