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Gaussian processes (GPs) are powerful tools for nonlinear classification in which latent GPs are combined with link functions. But GPs do not scale well to large training data. This is compounded for classification where the latent GPs…

Computation · Statistics 2025-01-28 Andrew Cooper , Annie S. Booth , Robert B. Gramacy

Surrogate neural network-based models have been lately trained and used in a variety of science and engineering applications where the number of evaluations of a target function is limited by execution time. In cell phone camera systems,…

Computational Engineering, Finance, and Science · Computer Science 2022-06-29 Shantanu Shahane , Erman Guleryuz , Diab W Abueidda , Allen Lee , Joe Liu , Xin Yu , Raymond Chiu , Seid Koric , Narayana R Aluru , Placid M Ferreira

This study introduces a non-intrusive approach in the context of low-rank separated representation to construct a surrogate of high-dimensional stochastic functions, e.g., PDEs/ODEs, in order to decrease the computational cost of Markov…

Data Analysis, Statistics and Probability · Physics 2013-12-25 AbdoulAhad Validi

The capabilities of additive manufacturing have facilitated the design and production of mechanical metamaterials with diverse unit cell geometries. Establishing linkages between the vast design space of unit cells and their effective…

Computational Engineering, Finance, and Science · Computer Science 2025-05-05 Hooman Danesh , Maruthi Annamaraju , Tim Brepols , Stefanie Reese , Surya R. Kalidindi

Multidisciplinary design optimization methods aim at adapting numerical optimization techniques to the design of engineering systems involving multiple disciplines. In this context, a large number of mixed continuous, integer and…

Specifying a governing physical model in the presence of missing physics and recovering its parameters are two intertwined and fundamental problems in science. Modern machine learning allows one to circumvent these, via emulators and…

Machine Learning · Computer Science 2020-06-30 Daniel J. Tait , Theodoros Damoulas

Data-driven modeling approaches can produce fast surrogates to study large-scale physics problems. Among them, graph neural networks (GNNs) that operate on mesh-based data are desirable because they possess inductive biases that promote…

Machine Learning · Computer Science 2023-04-04 Brian R. Bartoldson , Yeping Hu , Amar Saini , Jose Cadena , Yucheng Fu , Jie Bao , Zhijie Xu , Brenda Ng , Phan Nguyen

In many mechanistic medical, biological, physical and engineered spatiotemporal dynamic models the numerical solution of partial differential equations (PDEs) can make simulations impractically slow. Biological models require the…

Soft Condensed Matter · Physics 2021-02-11 J. Quetzalcóatl Toledo-Marín , Geoffrey Fox , James P. Sluka , James A. Glazier

Transmission expansion planning (TEP) plays a critical role in ensuring power system reliability and facilitating the integration of renewable energy resources. However, this process requires planners to constantly deal with significant…

Systems and Control · Electrical Eng. & Systems 2026-04-21 Victor Schmitt , Farzaneh Pourahmadi , Angela Flores-Quiroz , Pablo Apablaza , Pierluigi Mancarella

Machine learning methods are increasingly used to build computationally inexpensive surrogates for complex physical models. The predictive capability of these surrogates suffers when data are noisy, sparse, or time-dependent. As we are…

Machine Learning · Computer Science 2024-05-20 A. Diaw , M. McKerns , I. Sagert , L. G. Stanton , M. S. Murillo

This work introduces an innovative parallel, fully-distributed finite element framework for growing geometries and its application to metal additive manufacturing. It is well-known that virtual part design and qualification in additive…

Computational Engineering, Finance, and Science · Computer Science 2019-04-30 Eric Neiva , Santiago Badia , Alberto F. Martín , Michele Chiumenti

In recent years, there has been a growing interest in understanding complex microstructures and their effect on macroscopic properties. In general, it is difficult to derive an effective constitutive law for such microstructures with…

Computational Engineering, Finance, and Science · Computer Science 2023-10-18 Theron Guo , Ondřej Rokoš , Karen Veroy

The finite element method is an indispensable tool in engineering, but its computational complexity prevents applications for control or at system-level. Model order reduction bridges this gap, creating highly efficient yet accurate…

Dynamical Systems · Mathematics 2026-01-16 Arwed Schütz , Lars Nolle , Tamara Bechtold

The morphology of nanostructured materials exhibiting a polydisperse porous space, such as aerogels, is very open porous and fine grained. Therefore, a simulation of the deformation of a large aerogel structure resolving the nanostructure…

Numerical Analysis · Mathematics 2024-03-04 Axel Klawonn , Martin Lanser , Lucas Mager , Ameya Rege

Manufactured materials usually contain random imperfections due to the fabrication process, e.g., the 3D-printing, casting, etc. These imperfections affect significantly the effective material properties and result in uncertainties in the…

Materials Science · Physics 2022-12-07 Ustim Khristenko , Andrei Constantinescu , Patrick Le Tallec , Barbara Wohlmuth

We present a novel machine learning based surrogate modeling method for predicting spatially resolved 3D microstructure evolution of polycrystalline materials under uniaxial tensile loading. Our approach is orders of magnitude faster than…

Materials Science · Physics 2020-05-05 Anup Pandey , Reeju Pokharel

Model merging constructs versatile models by integrating task-specific models without requiring labeled data or expensive joint retraining. Although recent methods improve adaptability to heterogeneous tasks by generating customized merged…

Machine Learning · Computer Science 2026-02-09 Haiyun Qiu , Xingyu Wu , Liang Feng , Kay Chen Tan

Composite materials exhibit strongly hierarchical and anisotropic properties governed by coupled mechanisms spanning constituents, plies, laminates, structures, and manufacturing history. This intrinsic complexity makes predictive modeling…

Computational Physics · Physics 2026-05-05 Haizhou Wen , Elham Kiyani , Gang Li , Srikanth Pilla , George Em Karniadakis , Zhen Li

The development of next-generation structural materials for harsh environments requires rapid assessment of mechanical performance and its dependence on microstructure. While full-field crystal plasticity (CP) models provide detailed…

Materials Science · Physics 2025-10-09 Michael D. Atkinson , Michael D. White , Adam J. Plowman , Pratheek Shanthraj

Simulating complex physical processes across a domain of input parameters can be very computationally expensive. Multi-fidelity surrogate modeling can resolve this issue by integrating cheaper simulations with the expensive ones in order to…

Methodology · Statistics 2026-02-03 Romain Boutelet , Chih-Li Sung