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Recurrent neural networks (RNNs) are omnipresent in sequence modeling tasks. Practical models usually consist of several layers of hundreds or thousands of neurons which are fully connected. This places a heavy computational and memory…

Machine Learning · Computer Science 2019-05-30 Matthijs Van Keirsbilck , Alexander Keller , Xiaodong Yang

We present a surrogate material model for generating microstructure samples reproducing the morphology of the real material. The generator is based on Gaussian random fields, with a Mat\'ern kernel and a topological support field defined…

Materials Science · Physics 2026-02-13 Philipp Eisenhardt , Ustim Khristenko , Barbara Wohlmuth , Andrei Constantinescu

Simulation-based optimization is a useful method for practical design problems. However, it is difficult for complicated problems due to expensive-computational costs. A popular way to overcome this issue is to use a surrogate model to save…

Signal Processing · Electrical Eng. & Systems 2019-12-11 Yu Li , Hu Wang , Ziming Wen , Xin Wang

Surrogate models (including deep neural networks and other machine learning algorithms in supervised learning) are capable of approximating arbitrarily complex, high-dimensional input-output problems in science and engineering, but require…

Machine Learning · Computer Science 2025-12-17 Miguel Sánchez-Domínguez , Lucas Lacasa , Javier de Vicente , Gonzalo Rubio , Eusebio Valero

Surrogate models provide fast alternatives to costly aerodynamic simulations and are extremely useful in design and optimization applications. This study proposes the use of a recent kernel-based neural surrogate, KHRONOS. In this work, we…

Machine Learning · Computer Science 2025-12-12 Apurba Sarker , Reza T. Batley , Darshan Sarojini , Sourav Saha

Recent developments in quantum computing and machine learning have propelled the interdisciplinary study of quantum machine learning. Sequential modeling is an important task with high scientific and commercial value. Existing VQC or…

Neural and Evolutionary Computing · Computer Science 2022-11-07 Samuel Yen-Chi Chen , Daniel Fry , Amol Deshmukh , Vladimir Rastunkov , Charlee Stefanski

Open-source simulation tools play a crucial role for neuromorphic application engineers and hardware architects to investigate performance bottlenecks and explore design optimizations before committing to silicon. Reconfigurable…

Emerging Technologies · Computer Science 2024-04-26 Sahil Hassan , Michael Inouye , Miguel C. Gonzalez , Ilkin Aliyev , Joshua Mack , Maisha Hafiz , Ali Akoglu

Microfluidics have shown great promise in multiple applications, especially in biomedical diagnostics and separations. While the flow properties of these microfluidic devices can be solved by numerical methods such as computational fluid…

Fluid Dynamics · Physics 2021-05-12 Quang Tuyen Le , Pao-Hsiung Chiu , Chin Chun Ooi

Existing active strategies for training surrogate models yield accurate structural reliability estimates by aiming at design space regions in the vicinity of a specified limit state function. In many practical engineering applications,…

Machine Learning · Computer Science 2024-05-02 J. Moran A. , P. G. Morato , P. Rigo

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

This paper presents an innovative hierarchical meta-modelling approach for predicting the effective elastic properties of stone injected with composite cement grouts containing Carbon NanoTubes (CNTs) for structural rehabilitation purposes.…

Materials Science · Physics 2023-10-10 Rubén Rodríguez-Romero , Víctor Compán , Andrés Sáez , Enrique García-Macías

Many important multi-component crystalline solids undergo mechanochemical spinodal decomposition: a phase transformation in which the compositional redistribution is coupled with structural changes of the crystal, resulting in dynamically…

Computational Engineering, Finance, and Science · Computer Science 2023-07-19 Xiaoxuan Zhang , Krishna Garikipati

Efficient processing of large-scale time series data is an intricate problem in machine learning. Conventional sensor signal processing pipelines with hand engineered feature extraction often involve huge computational cost with high…

Surrogate models have several uses in engineering design, including speeding up design optimization, noise reduction, test measurement interpolation, gradient estimation, portability, and protection of intellectual property. Traditionally,…

Computational Engineering, Finance, and Science · Computer Science 2021-09-08 Eamon Whalen , Caitlin Mueller

Reliable evaluations of geotechnical hazards like landslides and debris flow require accurate simulation of granular flow dynamics. Traditional numerical methods can simulate the complex behaviors of such flows that involve solid-like to…

Geophysics · Physics 2023-11-14 Yongjin Choi , Krishna Kumar

Recurrent neural networks (RNNs) are a popular choice for modeling sequential data. Modern RNN architectures assume constant time-intervals between observations. However, in many datasets (e.g. medical records) observation times are…

Machine Learning · Computer Science 2022-07-27 Mona Schirmer , Mazin Eltayeb , Stefan Lessmann , Maja Rudolph

High-performance scientific simulations, important for comprehension of complex systems, encounter computational challenges especially when exploring extensive parameter spaces. There has been an increasing interest in developing deep…

Machine Learning · Computer Science 2024-07-15 Pradeep Bajracharya , Javier Quetzalcóatl Toledo-Marín , Geoffrey Fox , Shantenu Jha , Linwei Wang

The behavior of materials is influenced by a wide range of phenomena occurring across various time and length scales. To better understand the impact of microstructure on macroscopic response, multiscale modeling strategies are essential.…

Soft, porous mechanical metamaterials exhibit pattern transformations that may have important applications in soft robotics, sound reduction and biomedicine. To design these innovative materials, it is important to be able to simulate them…

Soft Condensed Matter · Physics 2025-03-14 Fleur Hendriks , Vlado Menkovski , Martin Doškář , Marc G. D. Geers , Ondřej Rokoš

Data-driven surrogate models offer quick approximations to complex numerical and experimental systems but typically lack uncertainty quantification, limiting their reliability in safety-critical applications. While Bayesian methods provide…

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