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Recent advances in machine learning, specifically transformer architecture, have led to significant advancements in commercial domains. These powerful models have demonstrated superior capability to learn complex relationships and often…

Machine Learning · Computer Science 2024-05-29 Matthew L. Olson , Shusen Liu , Jayaraman J. Thiagarajan , Bogdan Kustowski , Weng-Keen Wong , Rushil Anirudh

The ability for groundwater heat pumps to meet space heating and cooling demands without relying on fossil fuels, has prompted their mass roll out in dense urban environments. In regions with high subsurface groundwater flow rates, the…

Fluid Dynamics · Physics 2023-02-17 Kyle Davis , Raphael Leiteritz , Dirk Pflüger , Miriam Schulte

This work demonstrates that neural operator learning provides a powerful and flexible framework for building fast, accurate emulators of moving boundary systems, enabling their integration into digital twin platforms. To this end, a Deep…

Machine Learning · Computer Science 2025-12-24 Marco A. Iglesias , Michael. E. Causon , Mikhail Y. Matveev , Andreas Endruweit , Michael . V. Tretyakov

The Worldwide LHC Computing Grid (WLCG) provides the robust computing infrastructure essential for the LHC experiments by integrating global computing resources into a cohesive entity. Simulations of different compute models present a…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-10-14 Larissa Schmid , Maximilian Horzela , Valerii Zhyla , Manuel Giffels , Günter Quast , Anne Koziolek

Prior works on self-supervised pre-training focus on the joint training scenario, where massive unlabeled data are assumed to be given as input all at once, and only then is a learner trained. Unfortunately, such a problem setting is often…

Machine Learning · Computer Science 2022-07-22 Dapeng Hu , Shipeng Yan , Qizhengqiu Lu , Lanqing Hong , Hailin Hu , Yifan Zhang , Zhenguo Li , Xinchao Wang , Jiashi Feng

Surrogates, models that mimic the behavior of programs, form the basis of a variety of development workflows. We study three surrogate-based design patterns, evaluating each in case studies on a large-scale CPU simulator. With surrogate…

Programming Languages · Computer Science 2021-12-14 Alex Renda , Yi Ding , Michael Carbin

The development of efficient surrogates for partial differential equations (PDEs) is a critical step towards scalable modeling of complex, multiscale systems-of-systems. Convolutional neural networks (CNNs) have gained popularity as the…

Machine Learning · Computer Science 2025-06-04 Adrienne M. Propp , Daniel M. Tartakovsky

The increasing complexity of modern deep neural network models and the expanding sizes of datasets necessitate the development of optimized and scalable training methods. In this white paper, we addressed the challenge of efficiently…

Machine Learning · Computer Science 2024-04-29 Raphael Ruschel , A. S. M. Iftekhar , B. S. Manjunath , Suya You

This study introduces a surrogate modeling framework merging proper orthogonal decomposition, long short-term memory networks, and multi-task learning, to accurately predict elastoplastic deformations in real-time. Superior to single-task…

Computational Engineering, Finance, and Science · Computer Science 2024-11-11 Ruben Schmeitz , Joris Remmers , Olga Mula , Olaf van der Sluis

Deep learning (DL) workflows demand an ever-increasing budget of compute and energy in order to achieve outsized gains. Neural architecture searches, hyperparameter sweeps, and rapid prototyping consume immense resources that can prevent…

We demonstrate the adaption of three established methods to the field of surrogate machine learning model development. These methods are data augmentation, custom loss functions and transfer learning. Each of these methods have seen…

Machine Learning · Computer Science 2022-11-04 H. Rhys Jones , Tingting Mu , Andrei C. Popescu , Yusuf Sulehman

High-density through-substrate vias (TSVs) enable 2.5D/3D heterogeneous integration but introduce significant signal-integrity and thermal-reliability challenges due to electrical coupling, insertion loss, and self-heating. Conventional…

Machine Learning · Computer Science 2026-04-01 Mohamed Gharib , Leonid Popryho , Inna Partin-Vaisband

Simulating the mechanical response of advanced materials can be done more accurately using concurrent multiscale models than with single-scale simulations. However, the computational costs stand in the way of the practical application of…

Machine Learning · Computer Science 2024-02-21 J. Storm , I. B. C. M. Rocha , F. P. van der Meer

Building design optimization often depends on physics-based simulation tools such as EnergyPlus, which, although accurate, are computationally expensive and slow. Surrogate models provide a faster alternative, yet most are…

Machine Learning · Computer Science 2026-03-13 Piragash Manmatharasan , Girma Bitsuamlak , Katarina Grolinger

Wave setup plays a significant role in transferring wave-induced energy to currents and causing an increase in water elevation. This excess momentum flux, known as radiation stress, motivates the coupling of circulation models with wave…

Computational Physics · Physics 2026-04-09 Shukai Cai , Sourav Dutta , Mark Loveland , Eirik Valseth , Peter Rivera-Casillas , Corey Trahan , Clint Dawson

Programmers and researchers are increasingly developing surrogates of programs, models of a subset of the observable behavior of a given program, to solve a variety of software development challenges. Programmers train surrogates from…

Programming Languages · Computer Science 2023-09-22 Alex Renda , Yi Ding , Michael Carbin

In this paper we introduce a novel way of estimating prediction uncertainty in deep networks through the use of uncertainty surrogates. These surrogates are features of the penultimate layer of a deep network that are forced to match…

Machine Learning · Computer Science 2021-04-19 Radhakrishna Achanta , Natasa Tagasovska

For stochastic process models, parameter inference is often severely bottlenecked by computationally expensive likelihood functions. Simulation-based inference (SBI) bypasses this restriction by constructing amortized surrogate likelihoods,…

Machine Learning · Statistics 2026-05-26 Alexander Shen , Mikael Kuusela

While the prediction of AC losses during transients is critical for designing large-scale low-temperature superconducting (LTS) magnets, brute-force finite-element (FE) simulation of their detailed geometry down to the length scale of the…

We present an approach for constructing a surrogate from ensembles of information sources of varying cost and accuracy. The multifidelity surrogate encodes connections between information sources as a directed acyclic graph, and is trained…

Machine Learning · Computer Science 2021-08-25 Alex Gorodetsky , John D. Jakeman , Gianluca Geraci