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Artificial intelligence is transforming scientific computing with deep neural network surrogates that approximate solutions to partial differential equations (PDEs). Traditional off-line training methods face issues with storage and I/O…

Machine Learning · Computer Science 2024-10-10 Sofya Dymchenko , Abhishek Purandare , Bruno Raffin

Decision support systems often rely on solving complex optimization problems that may require to estimate uncertain parameters beforehand. Recent studies have shown how using traditionally trained estimators for this task can lead to…

Machine Learning · Computer Science 2025-12-19 Gaetano Signorelli , Michele Lombardi

Heterogeneity is a ubiquitous property of many biological systems and has profound implications for computation. While it is conceivable to optimize neuronal and synaptic heterogeneity for a specific task, such top-down optimization is…

Machine Learning · Computer Science 2025-12-02 Arash Golmohammadi , Jannik Luboeinski , Christian Tetzlaff

Amorphous materials are solids that lack long-range atomic order but possess complex short- and medium-range order. Unlike crystalline materials that can be described by unit cells containing few up to hundreds of atoms, amorphous materials…

Machine Learning · Computer Science 2026-04-01 Yan Lin , Jonas A. Finkler , Tao Du , Jilin Hu , Morten M. Smedskjaer

Crash simulations play an essential role in improving vehicle safety, design optimization, and injury risk estimation. Unfortunately, numerical solutions of such problems using state-of-the-art high-fidelity models require significant…

Machine Learning · Computer Science 2024-02-16 Jonas Kneifl , Jörg Fehr , Steven L. Brunton , J. Nathan Kutz

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

Existing work on data-driven optimization focuses on problems in static environments, but little attention has been paid to problems in dynamic environments. This paper proposes a data-driven optimization algorithm to deal with the…

Neural and Evolutionary Computing · Computer Science 2020-12-29 Cuie Yang , Jinliang Ding , Yaochu Jin , Tianyou Chai

Metamaterials are engineered materials composed of specially designed unit cells that exhibit extraordinary properties beyond those of natural materials. Complex engineering tasks often require heterogeneous unit cells to accommodate…

Machine Learning · Computer Science 2025-11-06 Hongrui Chen , Liwei Wang , Levent Burak Kara

The inverse design of metamaterial architectures presents a significant challenge, particularly for nonlinear mechanical properties involving large deformations, buckling, contact, and plasticity. Traditional methods, such as gradient-based…

Computational Physics · Physics 2025-05-29 Qibang Liu , Seid Koric , Diab Abueidda , Hadi Meidani , Philippe Geubelle

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

Accurate simulation of brain deformation is a key component for developing realistic, interactive neurosurgical simulators, as complex nonlinear deformations must be captured to ensure realistic tool-tissue interactions. However,…

Surrogate models for the rapid inference of nonlinear boundary value problems in mechanics are helpful in a broad range of engineering applications. However, effective surrogate modeling of applications involving the contact of deformable…

Computational Engineering, Finance, and Science · Computer Science 2025-07-21 Vijay K. Dubey , Collin E. Haese , Osman Gültekin , David Dalton , Manuel K. Rausch , Jan N. Fuhg

Supervised learning requires a large amount of training data, limiting its application where labeled data is scarce. To compensate for data scarcity, one possible method is to utilize auxiliary tasks to provide additional supervision for…

Machine Learning · Computer Science 2020-10-19 Baifeng Shi , Judy Hoffman , Kate Saenko , Trevor Darrell , Huijuan Xu

Learning-based methods have demonstrated remarkable performance in solving inverse problems, particularly in image reconstruction tasks. Despite their success, these approaches often lack theoretical guarantees, which are crucial in…

Numerical Analysis · Mathematics 2025-10-21 Clemens Arndt , Judith Nickel

Areas of computational mechanics such as uncertainty quantification and optimization usually involve repeated evaluation of numerical models that represent the behavior of engineering systems. In the case of complex nonlinear systems…

Machine Learning · Computer Science 2024-10-03 A. O. M. Kilicsoy , J. Liedmann , M. A. Valdebenito , F. -J. Barthold , M. G. R. Faes

In this dissertation, we focus on several important problems in structured prediction. In structured prediction, the label has a rich intrinsic substructure, and the loss varies with respect to the predicted label and the true label pair.…

Machine Learning · Computer Science 2018-09-18 Heejin Choi

Inverse problems are the task of calibrating models to match data. They play a pivotal role in diverse engineering applications by allowing practitioners to align models with reality. In many applications, engineers and scientists do not…

Machine Learning · Computer Science 2026-03-05 Pengyu Zhang , Arnaud Vadeboncoeur , Alex Glyn-Davies , Mark Girolami

The rise of machine learning and additive manufacturing has enabled the design of architected materials with tailored properties that surpass those of natural materials. Inverse design offers a data-efficient alternative to trial-and-error…

Applied Physics · Physics 2026-04-30 Hirak Kansara , Leo Guo , Wei Tan

In recent decades, the main focus of computer modeling has been on supporting the design and development of engineering prototyes, but it is now ubiquitous in non-traditional areas such as medical rehabilitation. Conventional modeling…

Machine Learning · Computer Science 2024-09-13 Jonas Kneifl , David Rosin , Oliver Röhrle , Jörg Fehr

Predictive estimation, which comprises model calibration, model prediction, and validation, is a common objective when performing inverse uncertainty quantification (UQ) in diverse scientific applications. These techniques typically require…

Numerical Analysis · Mathematics 2024-07-17 Ningxin Yang , Truong Le , Lidija Zdravković , David M. Potts