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High-fidelity computational fluid dynamics (CFD) is widely used for thermal-fluid design, but repeated CFD solves remain expensive for design optimization, uncertainty analysis, and digital-twin workflows. Recently, our team has…

Fluid Dynamics · Physics 2026-05-28 Daniel Curl , Han Hu

Multi-fidelity surrogate models combining dimensionality reduction and an intermediate surrogate in the reduced space allow a cost-effective emulation of simulators with functional outputs. The surrogate is an input-output mapping learned…

Computational Engineering, Finance, and Science · Computer Science 2024-12-17 Lucas Brunel , Mathieu Balesdent , Loïc Brevault , Rodolphe Le Riche , Bruno Sudret

Topology optimization is used for the design of high-performance structures but remains fundamentally limited by its iterative nature, requiring repeated finite element analyses that prevent real-time deployment and large-scale design…

Computational Engineering, Finance, and Science · Computer Science 2026-04-07 Aaron Lutheran , Srijan Das , Alireza Tabarraei

The sequential fully implicit (SFI) scheme was introduced (Jenny et al. 2006) for solving coupled flow and transport problems. Each time step for SFI consists of an outer loop, in which there are inner Newton loops to implicitly and…

Numerical Analysis · Mathematics 2021-08-05 Jiamin Jiang , Pavel Tomin , Yifan Zhou

Isogeometrically enriched finite elements offer efficient localized isogeometric analysis (IGA) enrichment for numerical simulations involving large computational domains. This is achieved by employing surface enriched elements to interface…

Fluid Dynamics · Physics 2017-11-30 Raheel Rasool , Maximilian Harmel , Roger A. Sauer

Current generative models for drug discovery primarily use molecular docking to evaluate the quality of generated compounds. However, such models are often not useful in practice because even compounds with high docking scores do not…

Biomolecules · Quantitative Biology 2024-02-19 Peter Eckmann , Dongxia Wu , Germano Heinzelmann , Michael K Gilson , Rose Yu

The optimization of functional materials is important to enhance their properties, but their complex geometries pose great challenges to optimization. Data-driven algorithms efficiently navigate such complex design spaces by learning…

Computational Engineering, Finance, and Science · Computer Science 2025-06-05 Seongmin Kim , In-Saeng Suh

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…

In this paper we study the efficacy of combining machine-learning methods with projection-based model reduction techniques for creating data-driven surrogate models of computationally expensive, high-fidelity physics models. Such surrogate…

Fluid Dynamics · Physics 2022-09-28 Kenny Chowdhary , Chi Hoang , Kookjin Lee , Jaideep Ray

We recently demonstrated the reduction of the unified continuum and variational multiscale formulation to a computationally efficient fluid-structure interaction (FSI) formulation via three sound modeling assumptions pertaining to the…

Medical Physics · Physics 2022-01-12 Ingrid S. Lan , Ju Liu , Weiguang Yang , Alison L. Marsden

Solving complex fluid-structure interaction (FSI) problems, characterized by nonlinear partial differential equations, is crucial in various scientific and engineering applications. Traditional computational fluid dynamics (CFD) solvers are…

Dynamical Systems · Mathematics 2024-01-05 Wang Xiao , Ting Gao , Kai Liu , Jinqiao Duan , Meng Zhao

Resided at the intersection of multi-fidelity optimization (MFO) and Bayesian optimization (BO), MF BO has found a niche in solving expensive engineering design optimization problems, thanks to its advantages in incorporating physical and…

Computational Engineering, Finance, and Science · Computer Science 2026-01-01 Bach Do , Ruda Zhang

The optimization of large-scale multibody systems is a numerically challenging task, in particular when considering multiple conflicting criteria at the same time. In this situation, we need to approximate the Pareto set of optimal…

Optimization and Control · Mathematics 2024-12-20 Augustina C. Amakor , Manuel B. Berkemeier , Meike Wohlleben , Walter Sextro , Sebastian Peitz

With more efficient structures, last trends in aeronautics have witnessed an increased flexibility of wings, calling for adequate design and optimization approaches. To correctly model the coupled physics, aerostructural optimization has…

Computational Engineering, Finance, and Science · Computer Science 2021-06-04 Rocco Bombardieri , Rauno Cavallaro , Ruben Sanchez , Nicolas R. Gauger

Models that balance accuracy against computational costs are advantageous when designing wind turbines with optimization studies, as several hundred predictive function evaluations might be necessary to identify the optimal solution. We…

Systems and Control · Electrical Eng. & Systems 2025-05-21 Athul K. Sundarrajan , Daniel R. Herber

The development of new manufacturing techniques such as 3D printing have enabled the creation of previously infeasible chemical reactor designs. Systematically optimizing the highly parameterized geometries involved in these new classes of…

Computational Engineering, Finance, and Science · Computer Science 2023-07-10 Tom Savage , Nausheen Basha , Jonathan McDonough , Omar K Matar , Ehecatl Antonio del Rio Chanona

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

Simulation optimization is often hindered by the high cost of running simulations. Multi-fidelity methods offer a promising solution by incorporating cheaper, lower-fidelity simulations to reduce computational time. However, the bias in…

Optimization and Control · Mathematics 2025-08-07 Yunsoo Ha , Juliane Mueller

Turbulent flows and fluid-structure interactions (FSI) are ubiquitous in scientific and engineering applications, but their accurate and efficient simulation remains a major challenge due to strong nonlinearities, multiscale interactions,…

Fluid Dynamics · Physics 2025-06-02 Xiantao Fan , Xinyang Liu , Meng Wang , Jian-Xun Wang

Data-driven optimization has found many successful applications in the real world and received increased attention in the field of evolutionary optimization. Most existing algorithms assume that the data used for optimization is always…

Neural and Evolutionary Computing · Computer Science 2021-06-24 Jinjin Xu , Yaochu Jin , Wenli Du