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This paper introduces ChemGen, a software package that uses code generation to integrate multispecies thermodynamics and chemical kinetics into C+-based computational physics codes. ChemGen aims to make chemical kinetics more accessible in…

Computational Physics · Physics 2025-12-11 Ryan F. Johnson , Eric J. Ching , Ethan S. Genter , Joshua E. Lipman , Andrew D. Kercher , Jay Arcities , Hai Wang

Traditional simulations on High-Performance Computing (HPC) systems typically involve modeling very large domains and/or very complex equations. HPC systems allow running large models, but limits in performance increase that have become…

Recently developed machine learning techniques, in association with the Internet of Things (IoT) allow for the implementation of a method of increasing oil production from heavy-oil wells. Steam flood injection, a widely used enhanced oil…

Machine Learning · Statistics 2019-09-02 Mi Yan , Jonathan C. MacDonald , Chris T. Reaume , Wesley Cobb , Tamas Toth , Sarah S. Karthigan

In order to better model complex real-world data such as multiphase flow, one approach is to develop pattern recognition techniques and robust features that capture the relevant information. In this paper, we use deep learning methods, and…

Machine Learning · Computer Science 2017-05-23 Mohammadmehdi Ezzatabadipour , Parth Singh , Melvin D. Robinson , Pablo Guillen-Rondon , Carlos Torres

The connect-fill-run workflow paradigm, widely adopted in mature software engineering, accelerates collaborative development. However, computational chemistry, computational materials science, and computational biology face persistent…

Chemical Physics · Physics 2025-08-12 Jianan Wang , Wenbo Guo , Xin Yue , Minjie Xu , Yueqiang Zheng , Jingxiang Dong , Jiarui Hu , Jian Xia , Chuixiong Wu

As deep learning models scale, sparse computation and specialized dataflow hardware have emerged as powerful solutions to address efficiency. We propose FuseFlow, a compiler that converts sparse machine learning models written in PyTorch to…

Machine Learning · Computer Science 2026-01-27 Rubens Lacouture , Nathan Zhang , Ritvik Sharma , Marco Siracusa , Fredrik Kjolstad , Kunle Olukotun , Olivia Hsu

The synthesis of high-performance computing (particularly graphics processing units), cloud computing services (like Google Colab), and high-level deep learning frameworks (such as PyTorch) has powered the burgeoning field of artificial…

Computational Physics · Physics 2020-03-23 Vaibhav Vavilala

Accurate and efficient prediction of multi-scale flows remains a formidable challenge. Constructing theoretical models and numerical methods often involves the design and optimization of parameters. While gradient descent methods have been…

Computational Physics · Physics 2026-02-10 Tianbai Xiao

This paper introduces open-source computational fluid dynamics software named open computational fluid dynamic code for scientific computation with graphics processing unit (GPU) system (OpenCFD-SCU), developed by the authors for direct…

Fluid Dynamics · Physics 2022-12-21 Guanlin Dang , Shiwei Liu , Tongbiao Guo , Junyi Duan , Xinliang Li

Intra-device parallelism addresses resource under-utilization in ML inference and training by overlapping the execution of operators with different resource usage. However, its wide adoption is hindered by a fundamental conflict with the…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-05-22 Yi Pan , Yile Gu , Jinbin Luo , Yibo Wu , Ziren Wang , Hongtao Zhang , Ziyi Xu , Shengkai Lin , Baris Kasikci , Stephanie Wang

Conventional physically based rendering (PBR) pipelines generate photorealistic images through computationally intensive light transport simulations. Although recent deep learning approaches leverage diffusion model priors with geometry…

Computer Vision and Pattern Recognition · Computer Science 2026-04-08 Shenghao Zhang , Runtao Liu , Christopher Schroers , Yang Zhang

Deep learning has been shown as a successful machine learning method for a variety of tasks, and its popularity results in numerous open-source deep learning software tools. Training a deep network is usually a very time-consuming process.…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-02-20 Shaohuai Shi , Qiang Wang , Pengfei Xu , Xiaowen Chu

We demonstrate how deep convolutional neural networks can be trained to predict 2+1 D hydrodynamic simulation results for flow coefficients, mean-transverse-momentum and charged particle multiplicity from the initial energy density profile.…

High Energy Physics - Phenomenology · Physics 2024-04-04 H. Hirvonen , K. J. Eskola , H. Niemi

Researchers have been highly active to investigate the classical machine learning workflow and integrate best practices from the software engineering lifecycle. However, deep learning exhibits deviations that are not yet covered in this…

Software Engineering · Computer Science 2022-08-30 Janosch Baltensperger , Pasquale Salza , Harald C. Gall

Diffusion models can learn rich representations during data generation, showing potential for Self-Supervised Learning (SSL), but they face a trade-off between generative quality and discriminative performance. Their iterative sampling also…

Machine Learning · Computer Science 2025-12-24 Kosuke Ukita , Tsuyoshi Okita

Deep learning has been popularized by its recent successes on challenging artificial intelligence problems. One of the reasons for its dominance is also an ongoing challenge: the need for immense amounts of computational power. Hardware…

Machine Learning · Computer Science 2016-11-17 Robert Adolf , Saketh Rama , Brandon Reagen , Gu-Yeon Wei , David Brooks

Flow based generative models have charted an impressive path across multiple visual generation tasks by adhering to a simple principle: learning velocity representations of a linear interpolant. However, we observe that training velocity…

Computer Vision and Pattern Recognition · Computer Science 2025-09-04 Inkyu Shin , Chenglin Yang , Liang-Chieh Chen

This study introduces a hybrid fluid simulation approach that integrates generative diffusion models with physics-based simulations, aiming at reducing the computational costs of flow simulations while still honoring all the physical…

FastFlow is a programming environment specifically targeting cache-coherent shared-memory multi-cores. FastFlow is implemented as a stack of C++ template libraries built on top of lock-free (fence-free) synchronization mechanisms. In this…

Distributed, Parallel, and Cluster Computing · Computer Science 2010-02-26 Marco Aldinucci , Marco Danelutto , Peter Kilpatrick , Massimiliano Meneghin , Massimo Torquati

This study aims to develop a simulation framework for rotating detonation engines (RDEs) using multicomponentFluid solver in OpenFOAM v12 and to demonstrate reducing the computational costs by adaptive mesh refinement (AMR) and dynamic load…

Computational Physics · Physics 2025-08-25 Keunjae Kwak , Hyoungwoo Kim , Je Ir Ryu , Donh-Hyuk Shin