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Calculation of phase diagrams is one of the fundamental tools in alloy design---more specifically under the framework of Integrated Computational Materials Engineering. Uncertainty quantification of phase diagrams is the first step required…

Calibration of expensive simulation models involves an emulator based on simulation outputs generated across various parameter settings to replace the actual model. Noisy outputs of stochastic simulation models require many simulation…

Methodology · Statistics 2025-05-08 Özge Sürer

The calibration of solid constitutive models with full-field experimental data is a long-standing challenge, especially in materials which undergo large deformation. In this paper, we propose a physics-informed deep-learning framework for…

Machine Learning · Computer Science 2022-04-01 Craig M. Hamel , Kevin N. Long , Sharlotte L. B. Kramer

In the present study, a numerical method based on a metaheuristic parametric algorithm has been developed to identify the constitutive parameters of hyperelastic models, by using FE simulations and full kinematic field measurements. The…

Classical Physics · Physics 2019-07-08 G Bastos , A Tayeb , N. Di Cesare , Jean-Benoit Le Cam , E Robin

Machine learning approaches informed by physics have offered new insights into the discovery of constitutive models from data, helping overcome some limitations of traditional constitutive modelling while reducing the cost of otherwise…

Materials Science · Physics 2026-05-19 Filippo Masi

The paper is devoted to the elastostatic calibration of industrial robots, which is used for precise machining of large-dimensional parts made of composite materials. In this technological process, the interaction between the robot and the…

Robotics · Computer Science 2012-11-28 Alexandr Klimchik , Anatol Pashkevich , Yier Wu , Stéphane Caro , Benoît Furet

Experimental design is central to science and engineering. A ubiquitous challenge is how to maximize the value of information obtained from expensive or constrained experimental settings. Bayesian optimal experimental design (OED) provides…

Methodology · Statistics 2026-02-13 Sofia Mäkinen , Andrew B. Duncan , Tapio Helin

The challenge of optimal design of experiments (DOE) pervades materials science, physics, chemistry, and biology. Bayesian optimization has been used to address this challenge in vast sample spaces, although it requires framing experimental…

A computer model can be used for predicting an output only after specifying the values of some unknown physical constants known as calibration parameters. The unknown calibration parameters can be estimated from real data by conducting…

Methodology · Statistics 2021-06-18 Arvind Krishna , V. Roshan Joseph , Shan Ba , William A. Brenneman , William R. Myers

We propose a control-oriented optimal experimental design (cOED) approach for linear PDE-constrained Bayesian inverse problems. In particular, we consider optimal control problems with uncertain parameters that need to be estimated by…

Optimization and Control · Mathematics 2025-09-01 Madhusudan Madhavan , Alen Alexanderian , Arvind K. Saibaba , Bart van Bloemen Waanders , Rebekah D. White

Bayesian optimal experimental design (BOED) provides a powerful, decision-theoretic framework for selecting experiments so as to maximise the expected utility of the data to be collected. In practice, however, its applicability can be…

Machine Learning · Statistics 2026-03-13 Louis Sharrock

In this work, we review the theory involved in the Bayesian calibration of complex computer models, with particular emphasis on their use for applications involving computationally expensive simulations and scarce experimental data. In the…

Computation · Statistics 2026-02-02 Christina Schenk , Ignacio Romero

Optimal experimental design (OED) provides a systematic approach to quantify and maximize the value of experimental data. Under a Bayesian approach, conventional OED maximizes the expected information gain (EIG) on model parameters.…

Computation · Statistics 2026-04-08 Shijie Zhong , Wanggang Shen , Tommie Catanach , Xun Huan

Computational models provide crucial insights into complex biological processes such as cancer evolution, but their mechanistic nature often makes them nonlinear and parameter-rich, complicating calibration. We systematically evaluate…

Analysis of PDEs · Mathematics 2025-09-24 Christina Schenk , Jacobo Ayensa Jiménez , Ignacio Romero

We introduce implicit Deep Adaptive Design (iDAD), a new method for performing adaptive experiments in real-time with implicit models. iDAD amortizes the cost of Bayesian optimal experimental design (BOED) by learning a design policy…

Machine Learning · Statistics 2021-11-04 Desi R. Ivanova , Adam Foster , Steven Kleinegesse , Michael U. Gutmann , Tom Rainforth

The high-fidelity characterization of soft, tissue-like materials under ultra-high-strain-rate conditions is critical in engineering and medicine. Still, it remains challenging due to limited optical access, sensitivity to initial…

We consider optimal experimental design (OED) for Bayesian inverse problems, where the experimental design variables have a certain multiway structure. Given $d$ different experimental variables with $m_i$ choices per design variable $1 \le…

Numerical Analysis · Mathematics 2025-06-03 Hugo Díaz , Arvind K. Saibaba , Srinivas Eswar , Vishwas Rao , Zichao Wendy Di

Accurate calibration of car-following models is essential for understanding human driving behaviors and implementing high-fidelity microscopic simulations. This work proposes a memory-augmented Bayesian calibration technique to capture both…

Applications · Statistics 2024-04-25 Chengyuan Zhang , Lijun Sun

Although various structural optimization techniques have a sound mathematical basis, the practical constructability of optimal designs poses a great challenge in the manufacturing stage. Currently, there is only a limited number of unified…

Numerical Analysis · Mathematics 2024-07-19 Lowhikan Sivanantha Sarma , Chinthaka Mallikarachchi , Sumudu Herath

Accurate uncertainty estimates are important in sequential model-based decision-making tasks such as Bayesian optimization. However, these estimates can be imperfect if the data violates assumptions made by the model (e.g., Gaussianity).…

Machine Learning · Computer Science 2024-06-27 Shachi Deshpande , Charles Marx , Volodymyr Kuleshov