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Real-world data is complex and often consists of objects that can be decomposed into multiple entities (e.g. images into pixels, graphs into interconnected nodes). Randomized smoothing is a powerful framework for making models provably…

Machine Learning · Computer Science 2024-11-12 Yan Scholten , Jan Schuchardt , Aleksandar Bojchevski , Stephan Günnemann

In this study, Bayesian inference is developed for structural vector autoregressive models in which the structural parameters are identified via Markov-switching heteroskedasticity. In such a model, restrictions that are just-identifying in…

Econometrics · Economics 2023-11-13 Helmut Lütkepohl , Tomasz Woźniak

High-throughput characterization often requires estimating parameters and model dimension from experimental data of limited quantity and quality. Such data may result in an ill-posed inverse problem, where multiple sets of parameters and…

Quantum Physics · Physics 2026-04-08 Abigail N. Poteshman , Jiwon Yun , Tim H. Taminiau , Giulia Galli

Inferring viscoelasticity parameters is a key challenge that often leads to non-unique solutions when fitting rheological data. In this context, we propose a machine learning approach that utilizes Bayesian optimization for parameter…

Soft Condensed Matter · Physics 2025-02-27 Isaac Y. Miranda-Valdez , Tero Mäkinen , Juha Koivisto , Mikko J. Alava

The absorption of sound has great significance in many scientific and engineering applications, from room acoustics to noise mitigation. In this context, porous materials have emerged as a viable solution towards high absorption performance…

Applied Physics · Physics 2023-10-31 S. Kuznetsova , S. Deleplanque , B. Dubus , M. Miniaci

Classically, the constitutive behavior of materials is described either phenomenologically, or by homogenization approaches. Phenomenological approaches are computationally very efficient, but are limited for complex non-linear and…

Computational Physics · Physics 2020-01-28 Christoph Settgast , Geralf Hütter , Meinhard Kuna , Martin Abendroth

Estimating hidden processes from non-linear noisy observations is particularly difficult when the parameters of these processes are not known. This paper adopts a machine learning approach to devise variational Bayesian inference for such…

Machine Learning · Computer Science 2019-11-05 Komlan Atitey , Pavel Loskot , Lyudmila Mihaylova

The universal tendency in scanning probe microscopy (SPM) over the last two decades is to transition from simple 2D imaging to complex detection and spectroscopic imaging modes. The emergence of complex SPM engines brings forth the…

Process-structure-property relationships are fundamental in materials science and engineering and are key to the development of new and improved materials. Symbolic regression serves as a powerful tool for uncovering mathematical models…

Materials Science · Physics 2025-11-12 Evgeniya Kabliman , Gabriel Kronberger

Computer models, aiming at simulating a complex real system, are often calibrated in the light of data to improve performance. Standard calibration methods assume that the optimal values of calibration parameters are invariant to the model…

Methodology · Statistics 2017-09-01 Georgios Karagiannis , Bledar A. Konomi , Guang Lin

Models with dimension more than the available sample size are now commonly used in various applications. A sensible inference is possible using a lower-dimensional structure. In regression problems with a large number of predictors, the…

Statistics Theory · Mathematics 2025-11-25 Sayantan Banerjee , Ismaël Castillo , Subhashis Ghosal

Identifying model Hamiltonians is a vital step toward creating predictive models of materials. Here, we combine Bayesian optimization with the EDRIXS numerical package to infer Hamiltonian parameters from resonant inelastic X-ray scattering…

Strongly Correlated Electrons · Physics 2025-10-30 Marton K. Lajer , Xin Dai , Kipton Barros , Matthew R. Carbone , S. Johnston , M. P. M. Dean

We derive from particle-level dynamics a constitutive model describing the rheology of two-dimensional dense soft suspensions below the jamming transition, in a regime where hydrodynamic interactions between particles are screened. Based on…

Soft Condensed Matter · Physics 2026-01-08 N. Cuny , E. Bertin , R. Mari

We propose a new framework for identifying mechanical properties of heterogeneous materials without a closed-form constitutive equation. Given a full-field measurement of the displacement field, for instance as obtained from digital image…

Crystal plasticity models connect macroscopic deformation with the physics of microscale slip in polycrystalline materials. These models can be calibrated using global stress-strain curves, but the resulting parametrization is often not…

Materials Science · Physics 2026-03-24 Joshua D. Pribe , Patrick E. Leser , Saikumar R. Yeratapally , George Weber

Computer Adaptive Testing (CAT) aims to accurately estimate an individual's ability using only a subset of an Item Response Theory (IRT) instrument. Many applications also require diverse item exposure across testing sessions, preventing…

Methodology · Statistics 2026-04-01 Tina Su , Edison Choe , Joshua C. Chang

In quality control, microstructures are investigated rigorously to ensure structural integrity, exclude the presence of critical volume defects, and validate the formation of the target microstructure. For quenched,…

Materials Science · Physics 2023-06-02 Ali Riza Durmaz , Sai Teja Potu , Daniel Romich , Johannes Möller , Ralf Nützel

Precision cancer medicine aims to determine the optimal treatment for each patient. In-vitro cancer drug sensitivity screens combined with multi-omics characterization of the cancer cells have become an important tool to achieve this aim.…

Methodology · Statistics 2024-03-14 Zhi Zhao , Marco Banterle , Alex Lewin , Manuela Zucknick

Biological systems organize into hierarchies to manage complexity, yet the mechanisms governing hierarchical control remain incompletely understood. Using information theory and the Lambda phage lysis-lysogeny decision as a model system, we…

Molecular Networks · Quantitative Biology 2026-01-05 Eugenio Simao

We propose Bayesian Hierarchical Invariant Prediction (BHIP) reframing Invariant Causal Prediction (ICP) through the lens of Hierarchical Bayes. We leverage the hierarchical structure to explicitly test invariance of causal mechanisms under…

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