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Physics-informed neural networks (PINNs) have received significant attention as a unified framework for forward, inverse, and surrogate modeling of problems governed by partial differential equations (PDEs). Training PINNs for forward…

Machine Learning · Computer Science 2022-06-22 Ehsan Haghighat , Danial Amini , Ruben Juanes

Parallel computing has turned out to be the enabling technology to solve complex physical systems. However, the transition from shared memory, vector computers to massively parallel, distributed memory systems and, recently, to hybrid…

Astrophysics · Physics 2007-05-23 P. Hoeflich

One of the greatest success stories of randomized algorithms for linear algebra has been the development of fast, randomized algorithms for highly overdetermined linear least-squares problems. However, none of the existing algorithms is…

Numerical Analysis · Mathematics 2025-08-21 Ethan N. Epperly , Maike Meier , Yuji Nakatsukasa

Pyrit is a field simulation software based on the finite element method written in Python to solve coupled systems of partial differential equations. It is designed as a modular software that is easily modifiable and extendable. The…

Computational Engineering, Finance, and Science · Computer Science 2023-10-02 Jonas Bundschuh , M. Greta Ruppert , Yvonne Späck-Leigsnering

In this paper, we introduce a technique to enhance the computational efficiency of solution algorithms for high-dimensional discrete simulation-based optimization problems. The technique is based on innovative adaptive partitioning…

Optimization and Control · Mathematics 2024-12-04 Jing Lu , Tianli Zhou , Carolina Osorio

FEMPAR is an open source object oriented Fortran200X scientific software library for the high-performance scalable simulation of complex multiphysics problems governed by partial differential equations at large scales, by exploiting…

Computational Engineering, Finance, and Science · Computer Science 2017-09-20 Santiago Badia , Alberto F. Martín , Javier Principe

Trajectory data represent a trace of an object that changes its position in space over time. This kind of data is complex to handle and analyze, since it is generally produced in huge quantities, often prone to errors generated by the…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-08-31 Salman Haidri , Yaksh J. Haranwala , Vania Bogorny , Chiara Renso , Vinicius Prado da Fonseca , Amilcar Soares

This paper proposes an efficient hypergraph partitioning framework based on a novel multi-objective non-convex constrained relaxation model. A modified accelerated proximal gradient algorithm is employed to generate diverse $k$-dimensional…

Machine Learning · Computer Science 2025-09-29 Yingying Li , Mingxuan Xie , Hailong You , Yongqiang Yao , Hongwei Liu

In this paper, we propose a Pre-trained Mixed Integer Optimization framework (PreMIO) that accelerates online mixed integer program (MIP) solving with offline datasets and machine learning models. Our method is based on a data-driven…

Optimization and Control · Mathematics 2025-04-08 Yanguang Chen , Wenzhi Gao , Wanyu Zhang , Dongdong Ge , Huikang Liu , Yinyu Ye

Machine learning approaches for solving partial differential equations require learning mappings between function spaces. While convolutional or graph neural networks are constrained to discretized functions, neural operators present a…

Small molecules exhibiting desirable property profiles are often discovered through an iterative process of designing, synthesizing, and testing sets of molecules. The selection of molecules to synthesize from all possible candidates is a…

Quantitative Methods · Quantitative Biology 2024-05-29 Jenna C. Fromer , Connor W. Coley

Pyro is a probabilistic programming language built on Python as a platform for developing advanced probabilistic models in AI research. To scale to large datasets and high-dimensional models, Pyro uses stochastic variational inference…

Physics-Informed Neural Networks (PINN) emerged as a powerful tool for solving scientific computing problems, ranging from the solution of Partial Differential Equations to data assimilation tasks. One of the advantages of using PINN is to…

Quantum Physics · Physics 2023-01-12 Stefano Markidis

We introduce DISTAL, a compiler for dense tensor algebra that targets modern distributed and heterogeneous systems. DISTAL lets users independently describe how tensors and computation map onto target machines through separate format and…

Programming Languages · Computer Science 2022-03-18 Rohan Yadav , Alex Aiken , Fredrik Kjolstad

In this article, we introduce, a novel open-source framework designed for efficient parallel computation of projections in tomography leveraging either multiple CPU cores or GPUs. This framework efficiently implements forward and back…

Medical Physics · Physics 2023-12-18 Georg Schramm , Kris Thielemans

Coded computation techniques provide robustness against straggling workers in distributed computing. However, most of the existing schemes require exact provisioning of the straggling behaviour and ignore the computations carried out by…

Information Theory · Computer Science 2021-12-07 Emre Ozfatura , Sennur Ulukus , Deniz Gunduz

We introduce Diffuse, a system that dynamically performs task and kernel fusion in distributed, task-based runtime systems. The key component of Diffuse is an intermediate representation of distributed computation that enables the necessary…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-12-17 Rohan Yadav , Shiv Sundram , Wonchan Lee , Michael Garland , Michael Bauer , Alex Aiken , Fredrik Kjolstad

This paper presents a hybrid CPU-GPU framework for solving combinatorial scheduling problems formulated as Integer Linear Programming (ILP). While scheduling underpins many optimization tasks in computing systems, solving these problems…

Machine Learning · Computer Science 2026-04-01 Mingju Liu , Jiaqi Yin , Alvaro Velasquez , Cunxi Yu

JAX-in-Cell is a fully electromagnetic, multispecies, and relativistic 1D3V Particle-in-Cell (PIC) framework implemented entirely in JAX. It provides a modern, Python-based alternative to traditional PIC frameworks. It leverages…

Plasma Physics · Physics 2025-12-16 Longyu Ma , Rogerio Jorge , Hongke Lu , Aaron Tran , Christopher Woolford

Physics-informed machine learning (PIML) has emerged as a promising alternative to conventional numerical methods for solving partial differential equations (PDEs). PIML models are increasingly built via deep neural networks (NNs) whose…

Machine Learning · Computer Science 2024-09-30 Carlos Mora , Amin Yousefpour , Shirin Hosseinmardi , Ramin Bostanabad