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Computer experiments with both quantitative and qualitative (QQ) inputs are commonly used in science and engineering applications. Constructing desirable emulators for such computer experiments remains a challenging problem. In this…

Universal probabilistic programming languages (PPLs) make it relatively easy to encode and automatically solve statistical inference problems. To solve inference problems, PPL implementations often apply Monte Carlo inference algorithms…

The evaluation of one-loop matrix elements is one of the main bottlenecks in precision calculations for the high-luminosity phase of the Large Hadron Collider. To alleviate this problem, a new C++ interface to the MCFM parton-level Monte…

In this proceedings we demonstrate how to implement and construct the PineAPPL grids, designed for fast-interpolation of Monte Carlo simulation with electroweak and QCD corrections, using the VegasFlow framework for Monte Carlo simulation…

We present ensmallen, a fast and flexible C++ library for mathematical optimization of arbitrary user-supplied functions, which can be applied to many machine learning problems. Several types of optimizations are supported, including…

Current trends in parallel processors call for the design of efficient massively parallel algorithms for scientific computing. Parallel algorithms for Monte Carlo simulations of thermodynamic ensembles of particles have received little…

Mathematical programming is widely employed across various sectors - such as logistics, energy, and workforce planning - to model and solve industrial optimisation problems, but its use requires substantial domain expertise. Large language…

As the complexity of state-of-the-art deep learning models increases by the month, implementation, interpretation, and traceability become ever-more-burdensome challenges for AI practitioners around the world. Several AI frameworks have…

We develop a Monte Carlo event generator for Higgs Boson pair production merged to exact one-jet matrix elements. The matrix elements are generated with OpenLoops and event generation is performed with the HERWIG++ general-purpose event…

From a theoretical point of view, finding the solution set of a system of inequalities in only two variables is easy. However, if we want to get rigorous bounds on this set with floating point arithmetic, in all possible cases, then things…

Recurrent neural networks (RNNs), particularly LSTMs, are effective for time-series tasks like sentiment analysis and short-term stock prediction. However, their computational complexity poses challenges for real-time deployment in resource…

Probabilistic programming languages (PPLs) are receiving widespread attention for performing Bayesian inference in complex generative models. However, applications to science remain limited because of the impracticability of rewriting…

We study Feynman integrals in the representation with Schwinger parameters and derive recursive integral formulas for massless 3- and 4-point functions. Properties of analytic (including dimensional) regularization are summarized and we…

Basic Linear Algebra Subprograms (BLAS) is a core library in scientific computing and machine learning. This paper presents FT-BLAS, a new implementation of BLAS routines that not only tolerates soft errors on the fly, but also provides…

Complex algebraic calculations can be performed by reconstructing analytic results from numerical evaluations over finite fields. We describe FiniteFlow, a framework for defining and executing numerical algorithms over finite fields and…

We present a novel algorithm, FAST-PT, for performing convolution or mode-coupling integrals that appear in nonlinear cosmological perturbation theory. The algorithm uses several properties of gravitational structure formation -- the…

We introduce a library called Push that takes a probabilistic programming approach to Bayesian deep learning (BDL). This library enables concurrent execution of BDL inference algorithms on multi-GPU hardware for neural network (NN) models.…

We describe the Bandicoot GPU linear algebra toolkit, a C++ based library that prioritises ease of use without compromising efficiency. Bandicoot's API is compatible with the popular Armadillo CPU linear algebra library, enabling easy…

We introduce the use of the Fast Multipole Method (FMM) to speed up gravitational lensing ray tracing calculations. The method allows very fast calculation of ray deflections when a large number of deflectors, $N_*$, is involved, while…

As applications grow in capability, they also grow in complexity. This complexity in turn gets pushed into modules and libraries. In addition, hardware configurations become increasingly elaborate, too. These two trends make understanding,…