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Surrogate modeling and uncertainty quantification tasks for PDE systems are most often considered as supervised learning problems where input and output data pairs are used for training. The construction of such emulators is by definition a…

Computational Physics · Physics 2019-06-26 Yinhao Zhu , Nicholas Zabaras , Phaedon-Stelios Koutsourelakis , Paris Perdikaris

Ordinary differential equation models are nowadays widely used for the mechanistic description of biological processes and their temporal evolution. These models typically have many unknown and non-measurable parameters, which have to be…

Quantitative Methods · Quantitative Biology 2021-05-27 Alejandro F. Villaverde , Dilan Pathirana , Fabian Fröhlich , Jan Hasenauer , Julio R. Banga

The modern machine learning methods allow one to obtain the data-driven models in various ways. However, the more complex the model is, the harder it is to interpret. In the paper, we describe the algorithm for the mathematical equations…

Neural and Evolutionary Computing · Computer Science 2021-09-09 Alexander Hvatov , Mikhail Maslyaev

This paper proposes probabilistic conformal prediction (PCP), a predictive inference algorithm that estimates a target variable by a discontinuous predictive set. Given inputs, PCP construct the predictive set based on random samples from…

Machine Learning · Statistics 2022-06-22 Zhendong Wang , Ruijiang Gao , Mingzhang Yin , Mingyuan Zhou , David M. Blei

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

The identification of constitutive laws is ubiquitous in engineering: in modeling of materials where experimental data are fitted to mathematical models or learning surrogate models to beat the FE\textsuperscript{2} computational cost of…

Materials Science · Physics 2026-05-15 Mayank Raj , Lianghao Cao , Andrew Stuart , Kaushik Bhattacharya

Deformable object manipulation remains a challenging task in robotics research. Conventional techniques for parameter inference and state estimation typically rely on a precise definition of the state space and its dynamics. While this is…

Robotics · Computer Science 2021-12-10 Rika Antonova , Jingyun Yang , Priya Sundaresan , Dieter Fox , Fabio Ramos , Jeannette Bohg

Form a pure mathematical point of view, common functional forms representing different physical phenomena can be defined. For example, rates of chemical reactions, diffusion and heat transfer are all governed by exponential-type…

Machine Learning · Computer Science 2019-10-01 Navid Zobeiry , Keith D. Humfeld

Diffusion models have emerged as powerful tools for high-quality image generation and editing, but guiding these models to produce specific outputs remains a challenge. Conventional approaches rely on conditioning mechanisms, such as text…

Computer Vision and Pattern Recognition · Computer Science 2026-05-27 Nithesh Chandher Karthikeyan , Jonas Unger , Gabriel Eilertsen

Hydrogen enhanced cracking is one of the many failure mechanisms in metals depending on the corrosive environment. In the presented work, a multiscale constitutive model has been presented for hydrogen enhanced intergranular cracking in…

Materials Science · Physics 2019-10-10 M Amir Siddiq , Salah Rahimi

Simulations of complex physical systems are typically realized by discretizing partial differential equations (PDEs) on unstructured meshes. While neural networks have recently been explored for surrogate and reduced order modeling of PDE…

Machine Learning · Computer Science 2021-10-27 Jiayang Xu , Aniruddhe Pradhan , Karthik Duraisamy

Conditional Density Estimation (CDE) models deal with estimating conditional distributions. The conditions imposed on the distribution are the inputs of the model. CDE is a challenging task as there is a fundamental trade-off between model…

Machine Learning · Statistics 2018-10-31 Vincent Dutordoir , Hugh Salimbeni , Marc Deisenroth , James Hensman

In this paper, we propose a nonlinear probabilistic generative model of Koopman mode decomposition based on an unsupervised Gaussian process. Existing data-driven methods for Koopman mode decomposition have focused on estimating the…

Machine Learning · Statistics 2023-02-01 Takahiro Kawashima , Hideitsu Hino

Solving parametric Partial Differential Equations (PDEs) for a broad range of parameters is a critical challenge in scientific computing. To this end, neural operators, which \textcolor{black}{predicts the PDE solution with variable PDE…

Numerical Analysis · Mathematics 2024-11-14 Weiheng Zhong , Hadi Meidani

Deep learning-based medical image processing algorithms require representative data during development. In particular, surgical data might be difficult to obtain, and high-quality public datasets are limited. To overcome this limitation and…

Image and Video Processing · Electrical Eng. & Systems 2024-04-05 Siyuan Mei , Fuxin Fan , Fabian Wagner , Mareike Thies , Mingxuan Gu , Yipeng Sun , Andreas Maier

Generative artificial intelligence models learn probability distributions from data and produce novel samples that capture the salient properties of their training sets. Proteins are particularly attractive for such approaches given their…

Biomolecules · Quantitative Biology 2026-02-27 Filippo Stocco , Michele Garibbo , Noelia Ferruz

In many chemical and biological applications, systems of differential equations containing unknown parameters are used to explain empirical observations and experimental data. The DEs are typically nonlinear and difficult to analyze,…

Quantitative Methods · Quantitative Biology 2015-08-24 D. Goulet

Differentiable physics modeling combines physics models with gradient-based learning to provide model explicability and data efficiency. It has been used to learn dynamics, solve inverse problems and facilitate design, and is at its…

Machine Learning · Computer Science 2022-02-02 Deshan Gong , Zhanxing Zhu , Andrew J. Bulpitt , He Wang

Existing data-driven methods for draping garments over human bodies, despite being effective, cannot handle garments of arbitrary topology and are typically not end-to-end differentiable. To address these limitations, we propose an…

Computer Vision and Pattern Recognition · Computer Science 2022-09-27 Ren Li , Benoît Guillard , Edoardo Remelli , Pascal Fua

Lumped parameter methods aim to simplify the evolution of spatially-extended or continuous physical systems to that of a "lumped" element representative of the physical scales of the modeled system. For systems where the definition of a…

Machine Learning · Computer Science 2023-04-19 James Koch , WoongJo Choi , Ethan King , David Garcia , Hrishikesh Das , Tianhao Wang , Ken Ross , Keerti Kappagantula
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