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A parallel direct solution approach based on domain decomposition method (DDM) and directed acyclic graph (DAG) scheduling is outlined. Computations are represented as a sequence of small tasks that operate on domains of DDM or dense matrix…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-02-13 Javad Moshfegh , Dimitrios G. Makris , Marinos N. Vouvakis

Many computational chemistry and molecular simulation workflows can be expressed as graphs. This abstraction is useful to modularize and potentially reuse existing components, as well as provide parallelization and ease reproducibility.…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-09-05 Thomas Löhr , Michele Assante , Michael Dodds , Lili Cao , Mikhail Kabeshov , Jon-Paul Janet , Marco Klähn , Ola Engkvist

For scientific machine learning tasks with a lot of custom code, picking the right Automatic Differentiation (AD) system matters. Our Julia package DifferentiationInterface$.$jl provides a common frontend to a dozen AD backends, unlocking…

Mathematical Software · Computer Science 2025-05-19 Guillaume Dalle , Adrian Hill

Graph theory provides a convenient framework for modeling and solving structured optimization problems. Under this framework, the modeler can arrange/assemble the components of an optimization model (variables, constraints, objective…

Optimization and Control · Mathematics 2026-05-11 David L Cole , Sungho Shin , Victor Zavala

Dynamic languages have become popular for scientific computing. They are generally considered highly productive, but lacking in performance. This paper presents Julia, a new dynamic language for technical computing, designed for performance…

Programming Languages · Computer Science 2012-09-25 Jeff Bezanson , Stefan Karpinski , Viral B. Shah , Alan Edelman

NetworkDynamics.jl is an easy-to-use and computationally efficient package for working with heterogeneous dynamical systems on complex networks, written in Julia, a high-level, high-performance, dynamic programming language. By combining…

Mathematical Software · Computer Science 2021-07-02 Michael Lindner , Lucas Lincoln , Fenja Drauschke , Julia Monika Koulen , Hans Würfel , Anton Plietzsch , Frank Hellmann

Many scientific workflows can be represented by a Directed Acyclic Graph (DAG) where each node represents a task, and there will be a directed edge between two tasks if and only if there is a dependency relationship between the two i.e. the…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-12-20 Atharva Tekawade , Suman Banerjee

Early but promising results in quantum computing have been enabled by the concurrent development of quantum algorithms, devices, and materials. Classical simulation of quantum programs has enabled the design and analysis of algorithms and…

Quantum Physics · Physics 2022-05-17 Bo Fang , M. Yusuf Özkaya , Ang Li , Ümit V. Çatalyürek , Sriram Krishnamoorthy

Technical computing is a challenging application area for programming languages to address. This is evinced by the unusually large number of specialized languages in the area (e.g. MATLAB, R), and the complexity of common software stacks,…

Programming Languages · Computer Science 2018-08-13 Jeff Bezanson , Jake Bolewski , Jiahao Chen

Directed acyclic graph (DAG) tasks are currently adopted in the real-time domain to model complex applications from the automotive, avionics, and industrial domains that implement their functionalities through chains of intercommunicating…

Machine Learning · Computer Science 2024-01-12 Binqi Sun , Mirco Theile , Ziyuan Qin , Daniele Bernardini , Debayan Roy , Andrea Bastoni , Marco Caccamo

We present a straightforward approach for distributed parallelization of stencil-based xPU applications on a regular staggered grid, which is instantiated in the package ImplicitGlobalGrid.jl. The approach allows to leverage remote direct…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-11-30 Samuel Omlin , Ludovic Räss , Ivan Utkin

The vast amounts of data used in social, business or traffic networks, biology and other natural sciences are often managed in graph-based data sets, consisting of a few thousand up to billions and trillions of vertices and edges,…

Databases · Computer Science 2021-10-22 Matthias Hauck , Ismail Oukid , Holger Fröning

Quantum computing promises substantial speedups by exploiting quantum mechanical phenomena such as superposition and entanglement. Corresponding design methods require efficient means of representation and manipulation of quantum…

Quantum Physics · Physics 2023-11-15 Alwin Zulehner , Stefan Hillmich , Robert Wille

The dynamic scaling of distributed computations plays an important role in the utilization of elastic computational resources, such as the cloud. It enables the provisioning and de-provisioning of resources to match dynamic resource…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-01-19 Masatoshi Hanai , Nikos Tziritas , Toyotaro Suzumura , Wentong Cai , Georgios Theodoropoulos

The efficient parallel execution of complex computations requires balancing the workload across processors while minimizing the communication between them. This inherent trade-off is often captured by graph partitioning or DAG scheduling…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-05-04 Pál András Papp , Toni Böhnlein , A. N. Yzelman

Dynamical systems are ubiquitous in science and engineering as models of phenomena that evolve over time. Although complex dynamical systems tend to have important modular structure, conventional modeling approaches suppress this structure.…

Category Theory · Mathematics 2022-11-04 Sophie Libkind , Andrew Baas , Evan Patterson , James Fairbanks

Hierarchical optimization architectures are used in power systems to manage disturbances and phenomena that arise at multiple spatial and temporal scales. We present a graph modeling abstraction for representing such architectures and an…

Optimization and Control · Mathematics 2023-09-20 David L. Cole , Harsha Gangammanavar , Victor M. Zavala

Directed acyclic graphs (DAGs) are commonly used to model causal relationships among random variables. In general, learning the DAG structure is both computationally and statistically challenging. Moreover, without additional information,…

Machine Learning · Statistics 2024-03-26 Ali Shojaie , Wenyu Chen

We present BSeries.jl, a Julia package for the computation and manipulation of B-series, which are a versatile theoretical tool for understanding and designing discretizations of differential equations. We give a short introduction to the…

Numerical Analysis · Mathematics 2022-12-06 David I. Ketcheson , Hendrik Ranocha

Accurate and efficient methods to simulate nonadiabatic and quantum nuclear effects in high-dimensional and dissipative systems are crucial for the prediction of chemical dynamics in condensed phase. To facilitate effective development,…