Off the Beaten Path: Let's Replace Term-Based Retrieval with k-NN Search

Retrieval pipelines commonly rely on a term-based search to obtain candidate records, which are subsequently re-ranked. Some candidates are missed by this approach, e.g., due to a vocabulary mismatch. We address this issue by replacing the term-based search with a generic k-NN retrieval algorithm, where a similarity function can take into account subtle term associations. While an exact brute-force k-NN search using this similarity function is slow, we demonstrate that an approximate algorithm can be nearly two orders of magnitude faster at the expense of only a small loss in accuracy. A retrieval pipeline using an approximate k-NN search can be more effective and efficient than the term-based pipeline. This opens up new possibilities for designing effective retrieval pipelines. Our software (including data-generating code) and derivative data based on the Stack Overflow collection is available online

A Library for Pattern-based Sparse Matrix Vector Multiply

Pattern-based Representation (PBR) is a novel approach to improving the performance of Sparse Matrix-Vector Multiply (SMVM) numerical kernels. Motivated by our observation that many matrices can be divided into blocks that share a small number of distinct patterns, we generate custom multiplication kernels for frequently recurring block patterns. The resulting reduction in index overhead significantly reduces memory bandwidth requirements and improves performance. Unlike existing methods, PBR requires neither detection of dense blocks nor zero filling, making it particularly advantageous for matrices that lack dense nonzero concentrations. SMVM kernels for PBR can benefit from explicit prefetching and vectorization, and are amenable to parallelization. The analysis and format conversion to PBR is implemented as a library, making it suitable for applications that generate matrices dynamically at runtime. We present sequential and parallel performance results for PBR on two current multicore architectures, which show that PBR outperforms available alternatives for the matrices to which it is applicable, and that the analysis and conversion overhead is amortized in realistic application scenarios

Practical Sparse Matrices in C++ with Hybrid Storage and Template-Based Expression Optimisation

Despite the importance of sparse matrices in numerous fields of science, software implementations remain difficult to use for non-expert users, generally requiring the understanding of underlying details of the chosen sparse matrix storage format. In addition, to achieve good performance, several formats may need to be used in one program, requiring explicit selection and conversion between the formats. This can be both tedious and error-prone, especially for non-expert users. Motivated by these issues, we present a user-friendly and open-source sparse matrix class for the C++ language, with a high-level application programming interface deliberately similar to the widely used MATLAB language. This facilitates prototyping directly in C++ and aids the conversion of research code into production environments. The class internally uses two main approaches to achieve efficient execution: (i) a hybrid storage framework, which automatically and seamlessly switches between three underlying storage formats (compressed sparse column, Red-Black tree, coordinate list) depending on which format is best suited and/or available for specific operations, and (ii) a template-based meta-programming framework to automatically detect and optimise execution of common expression patterns. Empirical evaluations on large sparse matrices with various densities of non-zero elements demonstrate the advantages of the hybrid storage framework and the expression optimisation mechanism.Comment: extended and revised version of an earlier conference paper arXiv:1805.0338

Practical Sparse Matrices in C++ with Hybrid Storage and Template-Based Expression Optimisation

Despite the importance of sparse matrices in numerous fields of science, software implementations remain difficult to use for non-expert users, generally requiring the understanding of underlying details of the chosen sparse matrix storage format. In addition, to achieve good performance, several formats may need to be used in one program, requiring explicit selection and conversion between the formats. This can be both tedious and error-prone, especially for non-expert users. Motivated by these issues, we present a user-friendly and open-source sparse matrix class for the C++ language, with a high-level application programming interface deliberately similar to the widely used MATLAB language. This facilitates prototyping directly in C++ and aids the conversion of research code into production environments. The class internally uses two main approaches to achieve efficient execution: (i) a hybrid storage framework, which automatically and seamlessly switches between three underlying storage formats (compressed sparse column, Red-Black tree, coordinate list) depending on which format is best suited and/or available for specific operations, and (ii) a template-based meta-programming framework to automatically detect and optimise execution of common expression patterns. Empirical evaluations on large sparse matrices with various densities of non-zero elements demonstrate the advantages of the hybrid storage framework and the expression optimisation mechanism.Comment: extended and revised version of an earlier conference paper arXiv:1805.0338

An efficient MPI/OpenMP parallelization of the Hartree-Fock method for the second generation of Intel Xeon Phi processor

Modern OpenMP threading techniques are used to convert the MPI-only Hartree-Fock code in the GAMESS program to a hybrid MPI/OpenMP algorithm. Two separate implementations that differ by the sharing or replication of key data structures among threads are considered, density and Fock matrices. All implementations are benchmarked on a super-computer of 3,000 Intel Xeon Phi processors. With 64 cores per processor, scaling numbers are reported on up to 192,000 cores. The hybrid MPI/OpenMP implementation reduces the memory footprint by approximately 200 times compared to the legacy code. The MPI/OpenMP code was shown to run up to six times faster than the original for a range of molecular system sizes.Comment: SC17 conference paper, 12 pages, 7 figure