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We present a data-parallel software package for fitting Gaussian Approximation Potentials (GAPs) on multiple nodes using the ScaLAPACK library with MPI and OpenMP. Until now the maximum training set size for GAP models has been limited by…

Materials Science · Physics 2022-11-14 Sascha Klawohn , James R. Kermode , Albert P. Bartók

In the following, we discuss nonlinear simulations of nonlinear dynamical systems, which are applied in technical and biological models. We deal with different ideas to overcome the treatment of the nonlinearities and discuss a novel…

Numerical Analysis · Mathematics 2014-12-01 Juergen Geiser , Vahid Yaghoubi

In a co-simulation context, interconnected systems of differential equations are solved separately but they regularly communicate data to one another during these resolutions. Iterative co-simulation methods have been developed in order to…

Numerical Analysis · Mathematics 2022-07-07 Yohan Eguillon , Bruno Lacabanne , Damien Tromeur-Dervout

Performance analysis is a critical step in the oft-repeated, iterative process of performance tuning of parallel programs. Per-process, per-thread traces (detailed logs of events with timestamps) enable in-depth analysis of parallel program…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-05-15 Abhinav Bhatele , Rakrish Dhakal , Alexander Movsesyan , Aditya K. Ranjan , Onur Cankur

Determining whether two particle systems are similar is a common problem in particle simulations. When the comparison should be invariant under permutations, orthogonal transformations, and translations of the systems, special techniques…

Statistical Mechanics · Physics 2021-06-24 Johannes Bulin , Jan Hamaekers

Concurrent programs are difficult to test due to their inherent non-determinism. To address this problem, testing often requires the exploration of thread schedules of a program; this can be time-consuming when applied to real-world…

Software Engineering · Computer Science 2018-04-11 Tingting Yu , Wei Wen , Xue Han , Jane Hayes

Computer models are widely used across a range of scientific disciplines to describe various complex physical systems, however to perform full uncertainty quantification we often need to employ emulators. An emulator is a fast statistical…

Methodology · Statistics 2022-10-20 Ian Vernon , Jonathan Owen , Jonathan Carter

Concurrent Constraint Programming (CCP) is a declarative model for concurrency where agents interact by telling and asking constraints (pieces of information) in a shared store. Some previous works have developed (approximated) declarative…

Logic in Computer Science · Computer Science 2017-02-13 Moreno Falaschi , Maurizio Gabbrielli , Carlos Olarte , Catuscia Palamidessi

Task-based programming models have demonstrated their efficiency in the development of scientific applications on modern high-performance platforms. They allow delegation of the management of parallelization to the runtime system (RS),…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-03-20 Bérenger Bramas

Monte Carlo (MC) methods for numerical integration seem to be embarassingly parallel on first sight. When adaptive schemes are applied in order to enhance convergence however, the seemingly most natural way of replicating the whole job on…

Computational Physics · Physics 2009-10-30 Richard Kreckel

Task based parallel programming has shown competitive outcomes in many aspects of parallel programming such as efficiency, performance, productivity and scalability. Different approaches are used by different software development frameworks…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-05-09 Afshin Zafari

This paper describes a calibration algorithm to simultaneously calibrate a magnetometer and an accelerometer without any information besides the sensors readings. Using a linear sensor model and maximum likelihood cost, the algorithm is…

Optimization and Control · Mathematics 2015-05-22 Conrado Silva Miranda , Janito Vaqueiro Ferreira

To efficiently exploit the resources of new many-core architectures, integrating dozens or even hundreds of cores per chip, parallel programming models have evolved to expose massive amounts of parallelism, often in the form of fine-grained…

Distributed, Parallel, and Cluster Computing · Computer Science 2014-05-14 Andi Drebes , Karine Heydemann , Antoniu Pop , Albert Cohen , Nathalie Drach

We present a tool for verification of deterministic programs with shared mutable references against specifications such as assertions, preconditions, postconditions, and read/write effects. We implement our tool by encoding programs with…

Logic in Computer Science · Computer Science 2021-03-16 Georg Schmid , Viktor Kunčak

Tracing back the instruction execution sequence to debug a multicore system can be very time-consuming because the relationships of the instructions can be very complex. For instructions that cannot be checked by the environment immediately…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-09-09 Yuzhe Luo , Xin Yu

Many parallel and distributed computing research results are obtained in simulation, using simulators that mimic real-world executions on some target system. Each such simulator is configured by picking values for parameters that define the…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-07-03 Jesse McDonald , Maximilian Horzela , Frédéric Suter , Henri Casanova

The aim of this paper is to show that Digital Signal Processors (DSPs) can be used to efficiently implement complex algorithms. As an example we have chosen the problem of enumerating closed two-dimensional random paths. An Evaluation…

Computational Physics · Physics 2007-05-23 B. Afsari , N. Sadeghi-Meybodi , S. Rouhani

Practitioners monitoring deployed probabilistic models face a fundamental trap: any fixed-sample test applied repeatedly over an unbounded stream will eventually raise a false alarm, even when the model remains perfectly stable. Existing…

Methodology · Statistics 2026-03-16 Tristan Farran

We describe our experiences in using SPIN to verify parts of the Multi Purpose Daemon (MPD) parallel process management system. MPD is a distributed collection of processes connected by Unix network sockets. MPD is dynamic: processes and…

Logic in Computer Science · Computer Science 2007-05-23 O. S. Matlin , E. Lusk , W. McCune

Machine Learning models face increased concerns regarding the storage of personal user data and adverse impacts of corrupted data like backdoors or systematic bias. Machine Unlearning can address these by allowing post-hoc deletion of…

Machine Learning · Computer Science 2023-02-23 Shashwat Goel , Ameya Prabhu , Amartya Sanyal , Ser-Nam Lim , Philip Torr , Ponnurangam Kumaraguru