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Distributed model training suffers from communication bottlenecks due to frequent model updates transmitted across compute nodes. To alleviate these bottlenecks, practitioners use gradient compression techniques like sparsification,…

Machine Learning · Computer Science 2020-11-02 Saurabh Agarwal , Hongyi Wang , Kangwook Lee , Shivaram Venkataraman , Dimitris Papailiopoulos

Simulations of thin film sputter deposition require the separation of the plasma and material transport in the gas-phase from the growth/sputtering processes at the bounding surfaces. Interface models based on analytic expressions or…

Computational Physics · Physics 2023-06-13 Tobias Gergs , Borislav Borislavov , Jan Trieschmann

In resource-constrained environments, one can employ spatial multiplexing cameras to acquire a small number of measurements of a scene, and perform effective reconstruction or high-level inference using purely data-driven neural networks.…

Computer Vision and Pattern Recognition · Computer Science 2018-09-11 Suhas Lohit , Rajhans Singh , Kuldeep Kulkarni , Pavan Turaga

The accurate identification and control of plasma instabilities is important for successful fusion experiments. First-principles simulations which can provide physics based instability information including the growth rate and mode…

Plasma Physics · Physics 2021-12-08 Ge Dong , Xishuo Wei , Jian Bao , Guillaume Brochard , Zhihong Lin , William Tang

Current methods for end-to-end constructive neural combinatorial optimization usually train a policy using behavior cloning from expert solutions or policy gradient methods from reinforcement learning. While behavior cloning is…

Machine Learning · Computer Science 2024-11-05 Jonathan Pirnay , Dominik G. Grimm

Federated Learning (FL) incurs high communication overhead, which can be greatly alleviated by compression for model updates. Yet the tradeoff between compression and model accuracy in the networked environment remains unclear and, for…

Machine Learning · Computer Science 2021-12-14 Laizhong Cui , Xiaoxin Su , Yipeng Zhou , Jiangchuan Liu

Accurate and scalable surrogate models for AC power flow are essential for real-time grid monitoring, contingency analysis, and decision support in increasingly dynamic and inverter-dominated power systems. However, most existing surrogates…

Systems and Control · Electrical Eng. & Systems 2025-07-04 Shrenik Jadhav , Birva Sevak , Srijita Das , Wencong Su , Van-Hai Bui

Modelling rock-fluid interaction requires solving a set of partial differential equations (PDEs) to predict the flow behaviour and the reactions of the fluid with the rock on the interfaces. Conventional high-fidelity numerical models…

We propose GNN-Surrogate, a graph neural network-based surrogate model to explore the parameter space of ocean climate simulations. Parameter space exploration is important for domain scientists to understand the influence of input…

Atmospheric and Oceanic Physics · Physics 2022-02-23 Neng Shi , Jiayi Xu , Skylar W. Wurster , Hanqi Guo , Jonathan Woodring , Luke P. Van Roekel , Han-Wei Shen

Simulations of crystal growth are performed by using Convolutional Recurrent Neural Network surrogate models, trained on a dataset of time sequences computed by numerical integration of Allen-Cahn dynamics including faceting via kinetic…

Materials Science · Physics 2026-04-24 Matteo Rigoni , Daniele Lanzoni , Francesco Montalenti , Roberto Bergamaschini

This study presents a deep neural network (DNN) framework that accelerates Direct Simulation Monte Carlo (DSMC) computations for rarefied-gas flows, while maintaining high physical fidelity. First, a fully connected deep neural network is…

Computational Physics · Physics 2025-07-01 Ehsan Roohi , Ahmad Shoja-sani

Training reinforcement learning (RL) agents to control fluid dynamics systems is computationally expensive due to the high cost of direct numerical simulations (DNS) of the governing equations. Surrogate models offer a promising alternative…

Machine Learning · Computer Science 2026-03-31 Tim Plotzki , Sebastian Peitz

Mechanistic, multicellular, agent-based models are commonly used to investigate tissue, organ, and organism-scale biology at single-cell resolution. The Cellular-Potts Model (CPM) is a powerful and popular framework for developing and…

Quantitative Methods · Quantitative Biology 2025-10-24 Tien Comlekoglu , J. Quetzalcoatl Toledo-Marín , Douglas W. DeSimone , Shayn M. Peirce , Geoffrey Fox , James A. Glazier

Parameter estimation in structural dynamics generally involves inferring the values of physical, geometric, or even customized parameters based on first principles or expert knowledge, which is challenging for complex structural systems. In…

Computational Engineering, Finance, and Science · Computer Science 2025-04-08 Mingyuan Zhou , Haoze Song , Wenjing Ye , Wei Wang , Zhilu Lai

The interpretability of machine learning, particularly for deep neural networks, is crucial for decision making in real-world applications. One approach is replacing the un-interpretable machine learning model with a surrogate model, which…

Machine Learning · Statistics 2020-07-22 Keiichi Kisamori , Keisuke Yamazaki , Yuto Komori , Hiroshi Tokieda

In recent years, neural network-based classification has been used to improve data analysis at collider experiments. While this strategy proves to be hugely successful, the underlying models are not commonly shared with the public and rely…

High Energy Physics - Phenomenology · Physics 2024-09-30 Sebastian Bieringer , Gregor Kasieczka , Jan Kieseler , Mathias Trabs

We present three variants of a lightweight, fully connected artificial neural network, suited for interactive estimation of three-dimensional, spatially resolved volumes of scattered radiation fields and a corresponding training pipeline…

Machine Learning · Computer Science 2026-04-16 Felix Lehner , Pasquale Lombardo , Susana Castillo , Oliver Hupe , Marcus Magnor

Accurate calibration of finite element (FE) models is essential across various biomechanical applications, including human intervertebral discs (IVDs), to ensure their reliability and use in diagnosing and planning treatments. However,…

Self-supervised pretraining from static structures of drug-like compounds and proteins enable powerful learned feature representations. Learned features demonstrate state of the art performance on a range of predictive tasks including…

Biomolecules · Quantitative Biology 2025-09-12 Derek Jones , Yue Yang , Felice C. Lightstone , Niema Moshiri , Jonathan E. Allen , Tajana S. Rosing

This paper presents a methodological framework for training, self-optimising, and self-organising surrogate models to approximate and speed up multiobjective optimisation of technical systems based on multiphysics simulations. At the hand…

Machine Learning · Computer Science 2024-04-04 Diego Botache , Jens Decke , Winfried Ripken , Abhinay Dornipati , Franz Götz-Hahn , Mohamed Ayeb , Bernhard Sick
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