Lawrence Mitchell

Simulating human cardiac electrophysiology on clinical time-scales.

In this study, the feasibility of conducting in silico experiments in near-realtime with anatomically realistic, biophysically detailed models of human cardiac electrophysiology is demonstrated using a current national high-performance computing facility. The required performance is achieved by integrating and optimizing load balancing and parallel I/O, which lead to strongly scalable simulations up to 16,384 compute cores. This degree of parallelization enables computer simulations of human cardiac electrophysiology at 240 times slower than real time and activation times can be simulated in approximately 1 min. This unprecedented speed suffices requirements for introducing in silico experimentation into a clinical workflow.

Firedrake: Automating the Finite Element Method by Composing Abstractions

Firedrake is a new tool for automating the numerical solution of partial differential equations. Firedrake adopts the domain-specific language for the finite element method of the FEniCS project, but with a pure Python runtime-only implementation centred on the composition of several existing and new abstractions for particular aspects of scientific computing. The result is a more complete separation of concerns which eases the incorporation of separate contributions from computer scientists, numerical analysts and application specialists. These contributions may add functionality, or improve performance. Firedrake benefits from automatically applying new optimisations. This includes factorising mixed function spaces, transforming and vectorising inner loops, and intrinsically supporting block matrix operations. Importantly, Firedrake presents a simple public API for escaping the UFL abstraction. This allows users to implement common operations that fall outside pure variational formulations, such as flux-limiters.

PyOP2: A High-Level Framework for Performance-Portable Simulations on Unstructured Meshes

Emerging many-core platforms are very difficult to program in a performance portable manner whilst achieving high efficiency on a diverse range of architectures. We present work in progress on PyOP2, a high-level embedded domain-specific language for mesh-based simulation codes that executes numerical kernels in parallel over unstructured meshes. Just-in-time kernel compilation and parallel scheduling are delayed until runtime, when problem-specific parameters are available. Using generative metaprogramming, performance portability is achieved, while details of the parallel implementation are abstracted from the programmer. PyOP2 kernels for finite element computations can be generated automatically from equations given in the domain-specific Unified Form Language. Interfacing to the multi-phase CFD code Fluidity through a very thin layer on top of PyOP2 yields a general purpose finite element solver with an input notation very close to mathematical formulae. Preliminary performance figures show speedups of up to 3.4× compared to Fluiditys built-in solvers when running in parallel.

Accelerating Cardiac Bidomain Simulations Using Graphics Processing Units

Anatomically realistic and biophysically detailed multiscale computer models of the heart are playing an increasingly important role in advancing our understanding of integrated cardiac function in health and disease. Such detailed simulations, however, are computationally vastly demanding, which is a limiting factor for a wider adoption of in-silico modeling. While current trends in high-performance computing (HPC) hardware promise to alleviate this problem, exploiting the potential of such architectures remains challenging since strongly scalable algorithms are necessitated to reduce execution times. Alternatively, acceleration technologies such as graphics processing units (GPUs) are being considered. While the potential of GPUs has been demonstrated in various applications, benefits in the context of bidomain simulations where large sparse linear systems have to be solved in parallel with advanced numerical techniques are less clear. In this study, the feasibility of multi-GPU bidomain simulations is demonstrated by running strong scalability benchmarks using a state-of-the-art model of rabbit ventricles. The model is spatially discretized using the finite element methods (FEM) on fully unstructured grids. The GPU code is directly derived from a large pre-existing code, the Cardiac Arrhythmia Research Package (CARP), with very minor perturbation of the code base. Overall, bidomain simulations were sped up by a factor of 11.8 to 16.3 in benchmarks running on 6-20 GPUs compared to the same number of CPU cores. To match the fastest GPU simulation which engaged 20 GPUs, 476 CPU cores were required on a national supercomputing facility.

A parallel random forest classifier for R

The statistical language R is favoured by many biostaticians for processing microarray data. In recent times, the quantity of data that can be obtained in experiments has risen significantly, making previously fast analyses time consuming, or even not possible at all with the existing software infrastructure. High Performance Computing (HPC) systems offer a solution to these problems, but at the expense of increased complexity for the end user. The Simple Parallel R Interface (SPRINT) is a library for R that aims to reduce the complexity of using HPC systems by providing biostatisticians with drop-in parallelized replacements of existing R functions. In this paper we describe the implementation of a parallel version of the Random Forest classifier in the SPRINT library.

Automated generation and symbolic manipulation of tensor product finite elements

We describe and implement a symbolic algebra for scalar and vector-valued finite elements, enabling the computer generation of elements with tensor product structure on quadrilateral, hexahedral and triangular prismatic cells. The algebra is implemented as an extension to the domain-specific language UFL, the Unified Form Language. This allows users to construct many finite element spaces beyond those supported by existing software packages. We have made corresponding extensions to FIAT, the FInite element Automatic Tabulator, to enable numerical tabulation of such spaces. This tabulation is consequently used during the automatic generation of low-level code that carries out local assembly operations, within the wider context of solving finite element problems posed over such function spaces. We have done this work within the code-generation pipeline of the software package Firedrake; we make use of the full Firedrake package to present numerical examples.

Performance-Portable Finite Element Assembly Using PyOP2 and FEniCS

We describe a toolchain that provides a fully automated compilation pathway from a finite element domain-specific language to low-level code for multicore and GPGPU platforms. We demonstrate that the generated code exceeds the performance of the best available alternatives, without requiring manual tuning or modification of the generated code. The toolchain can easily be integrated with existing finite element solvers, providing a means to add performance portable methods without having to rebuild an entire complex implementation from scratch.

Efficient Mesh Management in Firedrake Using PETSc DMPlex

The use of composable abstractions allows the application of new and established algorithms to a wide range of problems while automatically inheriting the benefits of well-known performance optimisations. This work highlights the composition of the PETSc DMPlex domain topology abstraction with the Firedrake automated finite element system to create a PDE solving environment that combines expressiveness, flexibility and high performance. We describe how Firedrake utilises DMPlex to provide the indirection maps required for finite element assembly, while supporting various mesh input formats and runtime domain decomposition. In particular, we describe how DMPlex and its accompanying data structures allow the generic creation of user-defined discretisations, while utilising data layout optimisations that improve cache coherency and ensure overlapped communication during assembly computation.

TSFC: A Structure-Preserving Form Compiler

A form compiler takes a high-level description of the weak form of partial differential equations and produces low-level code that carries out the finite element assembly. In this paper we present the Two-Stage Form Compiler (TSFC), a new form compiler with the main motivation being to maintain the structure of the input expression as long as possible. This facilitates the application of optimizations at the highest possible level of abstraction. TSFC features a novel, structure-preserving method for separating the contributions of a form to the subblocks of the local tensor in discontinuous Galerkin problems. This enables us to preserve the tensor structure of expressions longer through the compilation process than is possible with other form compilers. This is also achieved in part by a two-stage approach that cleanly separates the lowering of finite element constructs to tensor algebra in the first stage, from the scheduling of those tensor operations in the second stage. TSFC also efficiently traverse...

Parallel classification and feature selection in microarray data using SPRINT

The statistical language R is favoured by many biostatisticians for processing microarray data. In recent times, the quantity of data that can be obtained in experiments has risen significantly, making previously fast analyses time consuming or even not possible at all with the existing software infrastructure. High performance computing (HPC) systems offer a solution to these problems but at the expense of increased complexity for the end user. The Simple Parallel R Interface is a library for R that aims to reduce the complexity of using HPC systems by providing biostatisticians with drop‐in parallelised replacements of existing R functions. In this paper we describe parallel implementations of two popular techniques: exploratory clustering analyses using the random forest classifier and feature selection through identification of differentially expressed genes using the rank product method. Copyright