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We address the calibration of a computationally expensive nuclear physics model for which derivative information with respect to the fit parameters is not readily available. Of particular interest is the performance of optimization-based…

Recent progress in AI-enabled constitutive modeling has concentrated on moving from a purely data-driven paradigm to the enforcement of physical constraints and mechanistic principles, a concept referred to as physics augmentation.…

Machine Learning · Computer Science 2026-04-10 Jingye Tan , Govinda Anantha Padmanabha , Steven J. Yang , Nikolaos Bouklas

Calibration error is commonly adopted for evaluating the quality of uncertainty estimators in deep neural networks. In this paper, we argue that such a metric is highly beneficial for training predictive models, even when we do not…

Machine Learning · Statistics 2019-11-01 Jayaraman J. Thiagarajan , Bindya Venkatesh , Deepta Rajan

Machine learning and neural network models in particular have been improving the state of the art performance on many artificial intelligence related tasks. Neural network models are typically implemented using frameworks that perform…

Machine Learning · Computer Science 2021-10-18 Davan Harrison

Automatic differentiation (AD) is a set of techniques that systematically applies the chain rule to compute the gradients of functions without requiring human intervention. Although the fundamentals of this technology were established…

Machine Learning · Computer Science 2025-09-03 Afif Boudaoud , Alexandru Calotoiu , Marcin Copik , Torsten Hoefler

We study adaptive estimation and inference in ill-posed linear inverse problems defined by conditional moment restrictions. Existing regularized estimators such as Regularized DeepIV (RDIV) require prior knowledge of the smoothness of the…

Machine Learning · Statistics 2026-03-03 Jiyuan Tan , Vasilis Syrgkanis

Model-based computational elasticity imaging of tissues can be posed as solving an inverse problem over finite elements spanning the displacement image. As most existing quasi-static elastography methods count on deterministic formulations…

Image and Video Processing · Electrical Eng. & Systems 2020-10-22 Narges Mohammadi , Marvin M. Doyley , Mujdat Cetin

Accurate calibration of finite element (FE) models is essential across various biomechanical applications, including human intervertebral discs (IVDs), to ensure their reliability and use in diagnosing and planning treatments. However,…

In this paper, elliptic control problems with integral constraint on the gradient of the state and box constraints on the control are considered. The optimal conditions of the problem are proved. To numerically solve the problem, we use the…

Optimization and Control · Mathematics 2018-10-05 Zixuan Chen , Xiaoliang Song , Bo Yu , Xiaotong Chen

Automated fiber placement (AFP) is an advanced manufacturing technology that increases the rate of production of composite materials. At the same time, the need for adaptable and fast inline control methods of such parts raises. Existing…

Computer Vision and Pattern Recognition · Computer Science 2019-10-14 Sebastian Zambal , Christoph Heindl , Christian Eitzinger , Josef Scharinger

Fast-Fourier Transform (FFT) methods have been widely used in solid mechanics to address complex homogenization problems. However, current FFT-based methods face challenges that limit their applicability to intricate material models or…

Materials Science · Physics 2024-10-15 Mohit Pundir , David S. Kammer

Many important problems in science and engineering require solving the so-called parametric partial differential equations (PDEs), i.e., PDEs with different physical parameters, boundary conditions, shapes of computational domains, etc.…

Numerical Analysis · Mathematics 2024-02-06 Zhanhong Ye , Xiang Huang , Hongsheng Liu , Bin Dong

Model-based quantum optimal control promises to solve a wide range of critical quantum technology problems within a single, flexible framework. The catch is that highly-accurate models are needed if the optimized controls are to meet the…

Quantum Physics · Physics 2023-04-25 Andy J. Goldschmidt , Frederic T. Chong

In this paper, we discuss adaptive approximations of an elliptic eigenvalue optimization problem in a phase-field setting by a conforming finite element method. An adaptive algorithm is proposed and implemented in several two dimensional…

Numerical Analysis · Mathematics 2025-03-10 Jing Li , Yifeng Xu , Shengfeng Zhu

Stochastic simulation models are generative models that mimic complex systems to help with decision-making. The reliability of these models heavily depends on well-calibrated input model parameters. However, in many practical scenarios,…

Methodology · Statistics 2024-11-11 Ziwei Su , Diego Klabjan

The aggregated unfitted finite element method (AgFEM) is a methodology recently introduced in order to address conditioning and stability problems associated with embedded, unfitted, or extended finite element methods. The method is based…

Numerical Analysis · Computer Science 2019-08-20 Francesc Verdugo , Alberto F. Martín , Santiago Badia

The estimation of patient-specific tissue properties in the form of model parameters is important for personalized physiological models. However, these tissue properties are spatially varying across the underlying anatomical model,…

Machine Learning · Statistics 2020-05-19 Jwala Dhamala , Sandesh Ghimire , John L. Sapp , B. Milan Horácek , Linwei Wang

Estimation of parameters is a crucial part of model development. When models are deterministic, one can minimise the fitting error; for stochastic systems one must be more careful. Broadly parameterisation methods for stochastic dynamical…

Statistics Theory · Mathematics 2018-04-12 Asbjørn N. Riseth , Jake P. Taylor-King

Adaptive optimizers, such as Adam, have achieved remarkable success in deep learning. A key component of these optimizers is the so-called preconditioning matrix, providing enhanced gradient information and regulating the step size of each…

Machine Learning · Computer Science 2024-12-10 Yun Yue , Zhiling Ye , Jiadi Jiang , Yongchao Liu , Ke Zhang

High-fidelity simulations are essential for predicting material behavior under high-velocity impact (HVI), but their accuracy depends on material models and parameters that are often calibrated by manual fitting to multiple costly…

Materials Science · Physics 2026-04-01 Rong Jin , Guangyao Wang , Xingsheng Sun