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High-throughput technologies such as next generation sequencing allow biologists to observe cell function with unprecedented resolution, but the resulting datasets are too large and complicated for humans to understand without the aid of…

Applications · Statistics 2021-10-08 David S. Watson

Existing deep learning-based surrogate models facilitate efficient data generation, but fall short in uncertainty quantification, efficient parameter space exploration, and reverse prediction. In our work, we introduce SurroFlow, a novel…

Machine Learning · Computer Science 2024-07-19 Jingyi Shen , Yuhan Duan , Han-Wei Shen

In this survey, we discuss the challenges of executing scientific workflows as well as existing Machine Learning (ML) techniques to alleviate those challenges. We provide the context and motivation for applying ML to each step of the…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-10-28 Azita Nouri , Philip E. Davis , Pradeep Subedi , Manish Parashar

The computational cost for high energy physics detector simulation in future experimental facilities is going to exceed the current available resources. To overcome this challenge, new ideas on surrogate models using machine learning…

Advances in machine learning (ML) open the way to innovating functions in the avionic domain, such as navigation/surveillance assistance (e.g. vision-based navigation, obstacle sensing, virtual sensing), speechto-text applications,…

Artificial Intelligence · Computer Science 2021-08-02 Guillaume Vidot , Christophe Gabreau , Ileana Ober , Iulian Ober

Neural network surrogate models have emerged as a promising approach to model solution fields for a wide variety of boundary value problems encountered in physical modeling. Stochastic problems represent an area of particularly high…

Machine Learning · Statistics 2026-05-18 Noah Wade , Kirubel Teferra

Material scientists are increasingly adopting the use of machine learning (ML) for making potentially important decisions, such as, discovery, development, optimization, synthesis and characterization of materials. However, despite ML's…

Computational Physics · Physics 2019-03-12 Bhavya Kailkhura , Brian Gallagher , Sookyung Kim , Anna Hiszpanski , T. Yong-Jin Han

Parameter calibration is a major challenge in agent-based modelling and simulation (ABMS). As the complexity of agent-based models (ABMs) increase, the number of parameters required to be calibrated grows. This leads to the ABMS equivalent…

Machine Learning · Computer Science 2020-08-28 Rylan Perumal , Terence L van Zyl

Unveiling the evolutionary history of galaxies necessitates a precise understanding of their physical properties. Traditionally, astronomers achieve this through spectral energy distribution (SED) fitting. However, this approach can be…

Modeling the evolution of physical systems is critical to many applications in science and engineering. As the evolution of these systems is governed by partial differential equations (PDEs), there are a number of computational simulations…

Machine Learning · Computer Science 2025-03-17 Bharat Srikishan , Daniel O'Malley , Mohamed Mehana , Nicholas Lubbers , Nikhil Muralidhar

Operating systems include many heuristic algorithms designed to improve overall storage performance and throughput. Because such heuristics cannot work well for all conditions and workloads, system designers resorted to exposing numerous…

Machine learning models and libraries can train datasets of different sizes and perform prediction and classification operations, but machine learning models and libraries cause slow and long training times on large datasets. This article…

Machine Learning · Computer Science 2025-09-17 Halil Hüseyin Çalışkan , Talha Koruk

This study aims to benchmark candidate strategies for embedding neural network (NN) surrogates in nonlinear model predictive control (NMPC) formulations that are subject to systems described with partial differential equations and that are…

Systems and Control · Electrical Eng. & Systems 2025-01-14 Carlos Andrés Elorza Casas , Luis A. Ricardez-Sandoval , Joshua L. Pulsipher

Machine-learned interatomic potentials can offer near first-principles accuracy but are computationally expensive, limiting their application to large-scale molecular dynamics simulations. Inspired by quantum mechanics/molecular mechanics…

Materials Science · Physics 2025-11-21 Fraser Birks , Matthew Nutter , Thomas D Swinburne , James R Kermode

For big data analysis, high computational cost for Bayesian methods often limits their applications in practice. In recent years, there have been many attempts to improve computational efficiency of Bayesian inference. Here we propose an…

Computation · Statistics 2017-04-19 Cheng Zhang , Babak Shahbaba , Hongkai Zhao

Machine learning (ML) empowers biomedical systems with the capability to optimize their performance through modeling of the available data extremely well, without using strong assumptions about the modeled system. Especially in nano-scale…

Surrogate models are used for global approximation of responses generated by expensive computer experiments like CFD applications. In this paper, we make use of structural similarities which are shared by a class of related problems. We…

Numerical Analysis · Mathematics 2012-06-20 Benjamin Rosenbaum , Volker Schulz

Machine learning (ML) provides algorithms to create computer programs based on data without explicitly programming them. In business process management (BPM), ML applications are used to analyse and improve processes efficiently. Three…

Machine Learning · Computer Science 2024-05-28 Sven Weinzierl , Sandra Zilker , Sebastian Dunzer , Martin Matzner

Surrogate model-based optimization has been increasingly used in the field of engineering design. It involves creating a surrogate model with objective functions or constraints based on the data obtained from simulations or real-world…

Optimization and Control · Mathematics 2023-08-28 Minyoung Jwa , Jihoon Kim , Seungyeon Shin , Ah-hyeon Jin , Dongju Shin , Namwoo Kang

In the last couple of years we have witnessed an enormous increase of machine learning (ML) applications. More and more program functions are no longer written in code, but learnt from a huge amount of data samples using an ML algorithm.…

Software Engineering · Computer Science 2022-09-07 Peter Kriens , Tim Verbelen
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