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A key hurdle is demonstrating compute resource capability with limited benchmarks. We propose workflow templates as a solution, offering adaptable designs for specific scientific applications. Our paper identifies common usage patterns for…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-07-31 Gregor von Laszewski , Wesley Brewer , Sean R. Wilkinson , Andrew Shao , J. P. Fleischer , Harshad Pitkar , Christine R. Kirkpatrick , Geoffrey C. Fox

Large-scale eigenvalue problems arise in various fields of science and engineering and demand computationally efficient solutions. In this study, we investigate the subspace approximation for parametric linear eigenvalue problems, aiming to…

The rapid development of computation power and machine learning algorithms has paved the way for automating scientific discovery with a scanning probe microscope (SPM). The key elements towards operationalization of automated SPM are the…

Sequential decision making techniques hold great promise to improve the performance of many real-world systems, but computational complexity hampers their principled application. Influence-based abstraction aims to gain leverage by modeling…

Artificial Intelligence · Computer Science 2021-02-24 Elena Congeduti , Alexander Mey , Frans A. Oliehoek

Multivariate function approximation is a fundamental problem in machine learning. Classic multivariate function approximations rely on hand-crafted basis functions (e.g., polynomial basis and Fourier basis), which limits their approximation…

Machine Learning · Computer Science 2026-03-17 Wei-Hao Wu , Ting-Zhu Huang , Xi-Le Zhao , Yisi Luo , Deyu Meng

Multiscale mixed methods based on non-overlapping domain decompositions can efficiently handle the solution of significant subsurface flow problems in very heterogeneous formations of interest to the industry, especially when implemented on…

Numerical Analysis · Mathematics 2025-02-25 Dilong Zhou , Rafael Guiraldello , Felipe Pereira

The era of huge data necessitates highly efficient machine learning algorithms. Many common machine learning algorithms, however, rely on computationally intensive subroutines that are prohibitively expensive on large datasets. Oftentimes,…

Machine Learning · Computer Science 2023-09-26 Mo Tiwari

Quantum Computing (QC) refers to an emerging paradigm that inherits and builds with the concepts and phenomena of Quantum Mechanic (QM) with the significant potential to unlock a remarkable opportunity to solve complex and computationally…

Practical data assimilation algorithms often contain hyper-parameters, which may arise due to, for instance, the use of certain auxiliary techniques like covariance inflation and localization in an ensemble Kalman filter, the…

Computation · Statistics 2022-06-08 Xiaodong Luo , Chuan-An Xia

The computational complexity of reasoning within the Dempster-Shafer theory of evidence is one of the main points of criticism this formalism has to face. To overcome this difficulty various approximation algorithms have been suggested that…

Artificial Intelligence · Computer Science 2013-02-18 Mathias Bauer

Provenance has been thought of a mechanism to verify a workflow and to provide workflow reproducibility. This provenance of scientific workflows has been effectively carried out in Grid based scientific workflow systems. However, recent…

Databases · Computer Science 2015-12-01 Khawar Hasham , Kamran Munir , Richard McClatchey

Runtime scheduling and workflow systems are an increasingly popular algorithmic component in HPC because they allow full system utilization with relaxed synchronization requirements. There are so many special-purpose tools for task…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-11-03 David M. Rogers

The multiplication of matrices is an important arithmetic operation in computational mathematics. In the context of hierarchical matrices, this operation can be realized by the multiplication of structured block-wise low-rank matrices,…

Numerical Analysis · Mathematics 2018-05-24 Jürgen Dölz , Helmut Harbrecht , Michael D. Multerer

Similarity query is the family of queries based on some similarity metrics. Unlike the traditional database queries which are mostly based on value equality, similarity queries aim to find targets "similar enough to" the given data objects,…

Databases · Computer Science 2022-04-19 Yifan Wang

Provenance in scientific workflows is essential for understand- ing and reproducing processes, while in business processes, it can ensure compliance and correctness and facilitates process mining. However, the provenance of process…

Cryptography and Security · Computer Science 2025-10-08 Ludwig Stage , Mirela Riveni , Raimundas Matulevičius , Dimka Karastoyanova

In many high-impact applications, it is important to ensure the quality of output of a machine learning algorithm as well as its reliability in comparison with the complexity of the algorithm used. In this paper, we have initiated a…

Machine Learning · Computer Science 2023-03-03 Katarina Doctor , Tong Mao , Hrushikesh Mhaskar

System modeling is a classical approach to ensure their reliability since it is suitable both for a formal verification and for software testing techniques. In the context of model-based testing an approach combining random testing and…

Software Engineering · Computer Science 2018-06-14 Julien Bernard , Pierre-Cyrille Héam , Olga Kouchnarenko

The ability to replicate predictions by machine learning (ML) or artificial intelligence (AI) models and results in scientific workflows that incorporate such ML/AI predictions is driven by numerous factors. An uncertainty-aware metric that…

Machine Learning · Computer Science 2023-08-28 Line Pouchard , Kristofer G. Reyes , Francis J. Alexander , Byung-Jun Yoon

As scientific applications extend to the simulation of more and more complex systems, they involve an increasing number of abstraction levels, at each of which errors can emerge and across which they can propagate; tools for correctness…

Software Engineering · Computer Science 2011-01-18 Eloisa Bentivegna , Gabrielle Allen , Oleg Korobkin , Erik Schnetter

The increase of existing computational capabilities has made simulation emerge as a third discipline of Science, lying midway between experimental and purely theoretical branches [1, 2]. Simulation enables the evaluation of quantities which…

Computational Physics · Physics 2015-06-05 Pablo García-Risueño , Pablo E. Ibáñez
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