Related papers: Implementation of high-precision computation capab…
Multiple polylogarithms appear in analytic calculations of higher order corrections in quantum field theory. In this article we study the numerical evaluation of multiple polylogarithms. We provide algorithms, which allow the evaluation for…
Recent trends and advancement in including more diverse and heterogeneous hardware in High-Performance Computing is challenging software developers in their pursuit for good performance and numerical stability. The well-known maxim…
Accurate fault detection in high-dimensional industrial environments remains a major challenge due to the inherent complexity, noise, and redundancy in sensor data. This paper introduces CLAIRE, i.e., a hybrid end-to-end learning framework…
We present an open-source tensor network Python library for quantum many-body simulations. At its core is an abelian-symmetric tensor, implemented as a sparse block structure managed by logical layer on top of dense multi-dimensional array…
Quantum computers can in principle simulate quantum physics exponentially faster than their classical counterparts, but some technical hurdles remain. Here we consider methods to make proposed chemical simulation algorithms computationally…
Numerical simulation of multiphase compositional flow in fractured porous media, when all the species can transfer between the phases, is a real challenge. Despite the broad applications in hydrocarbon reservoir engineering and hydrology, a…
In this work, we review the theory involved in the Bayesian calibration of complex computer models, with particular emphasis on their use for applications involving computationally expensive simulations and scarce experimental data. In the…
A new simulation package, GSEIM, for solving a set of ordinary differential equations is presented. The organisation of the program is illustrated with the help of a block diagram. Various features of GSEIM are discussed. Two ways of…
The increasing scale and nonlinearity of modern energy and power system problems pose significant challenges to classical numerical solvers. In parallel, advances in quantum and quantum-inspired hardware are expected to improve scalability…
There is a need to accurately simulate materials with complex electromagnetic properties when modelling Ground Penetrating Radar (GPR), as many objects encountered with GPR contain water, e.g. soils, curing concrete, and water-filled pipes.…
The Graphic Processing Unit (GPU) has evolved into a powerful and flexible processor. The latest graphic processors provide fully programmable vertex and pixel processing units that support vector operations up to single floating-point…
We present a scheme to automatically set the precision of floating point variables in an application. We design a framework that profiles applications to measure undesirable numerical behavior at the floating point operation level. We use…
A numerical framework is developed to solve various types of PDEs on complicated domains, including steady and time-dependent, non-linear and non-local PDEs, with different boundary conditions that can also include non-linear and non-local…
We propose a new instruction (FPADDRE) that computes the round-off error in floating-point addition. We explain how this instruction benefits high-precision arithmetic operations in applications where double precision is not sufficient.…
We propose an efficient scheme for verifying quantum computations in the `high complexity' regime i.e. beyond the remit of classical computers. Previously proposed schemes remarkably provide confidence against arbitrarily malicious…
Computational platforms for high-performance scientific applications are becoming more heterogenous, including hardware accelerators such as multiple GPUs. Applications in a wide variety of scientific fields require an efficient and careful…
We present a high-fidelity three dimensional computational framework for simulating the bulk mechanical behavior of granular aggregates composed of deformable brittle grains. Departing from classical discrete element methods (DEM), our…
We describe a new C++ library for multiprecision arithmetic for numbers in the order of 100--500 bits, i.e., representable with just a few limbs. The library is written in "optimizing-compiler-friendly" C++, with an emphasis on the use of…
Developing state-of-the-art classical simulators of quantum circuits is of utmost importance to test and evaluate early quantum technology and understand the true potential of full-blown error-corrected quantum computers. In the past few…
Partial differential equation (PDE) models with multiple temporal/spatial scales are prevalent in several disciplines such as physics, engineering, and many others. These models are of great practical importance but notoriously difficult to…