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Deep generative models such as flow matching and diffusion models have shown great potential in learning complex distributions and dynamical systems, but often act as black-boxes, neglecting underlying physics. In contrast, physics-based…

Machine Learning · Computer Science 2026-04-28 Gurjeet Sangra Singh , Frantzeska Lavda , Giangiacomo Mercatali , Alexandros Kalousis

Simulating complex physical systems is crucial for understanding and predicting phenomena across diverse fields, such as fluid dynamics and heat transfer, as well as plasma physics and structural mechanics. Traditional approaches rely on…

Kernel density estimation (KDE) is a popular statistical technique for estimating the underlying density distribution with minimal assumptions. Although they can be shown to achieve asymptotic estimation optimality for any input…

Computation · Statistics 2011-02-15 Dongryeol Lee , Alexander G. Gray , Andrew W. Moore

Differential dynamic microscopy (DDM) is a form of video image analysis that combines the sensitivity of scattering and the direct visualization benefits of microscopy. DDM is broadly useful in determining dynamical properties including the…

Soft Condensed Matter · Physics 2022-04-12 Mengyang Gu , Yimin Luo , Yue He , Matthew E. Helgeson , Megan T. Valentine

Recent work (Bengio et al., 2013) has shown howDenoising Auto-Encoders(DAE) become gener-ative models as a density estimator. However,in practice, the framework suffers from a mixingproblem in the MCMC sampling process and nodirect method…

Machine Learning · Computer Science 2017-01-31 Dong-Hyun Lee

Linear partial differential equations (PDEs) are an important, widely applied class of mechanistic models, describing physical processes such as heat transfer, electromagnetism, and wave propagation. In practice, specialized numerical…

Machine Learning · Computer Science 2024-04-30 Marvin Pförtner , Ingo Steinwart , Philipp Hennig , Jonathan Wenger

Coupled problems with various combinations of multiple physics, scales, and domains can be found in numerous areas of science and engineering. A key challenge in the formulation and implementation of corresponding coupled models is to…

Analysis of PDEs · Mathematics 2012-07-05 Maarten Arnst , Roger Ghanem , Eric Phipps , John Red-Horse

This paper introduces a novel and scalable framework for uncertainty estimation and separation with applications in data driven modeling in science and engineering tasks where reliable uncertainty quantification is critical. Leveraging an…

Machine Learning · Computer Science 2024-12-19 Navid Ansari , Hans-Peter Seidel , Vahid Babaei

Engineering and applied science rely on computational experiments to rigorously study physical systems. The mathematical models used to probe these systems are highly complex, and sampling-intensive studies often require prohibitively many…

Methodology · Statistics 2024-06-19 Joy N. Mueller , Khachik Sargsyan , Craig J. Daniels , Habib N. Najm

Out-of-distribution detection is crucial to the safe deployment of machine learning systems. Currently, unsupervised out-of-distribution detection is dominated by generative-based approaches that make use of estimates of the likelihood or…

Accurate estimation of long-term risk is essential for the design and analysis of stochastic dynamical systems. Existing risk quantification methods typically rely on extensive datasets involving risk events observed over extended time…

Machine Learning · Computer Science 2025-10-09 Zhuoyuan Wang , Albert Chern , Yorie Nakahira

Stochastic expansion-based methods of uncertainty quantification, such as polynomial chaos and separated representations, require basis functions orthogonal with respect to the density of random inputs. Many modern engineering problems…

Computation · Statistics 2018-08-06 Brandon A. Jones , Marc Balducci

Uncertainty quantification (UQ) tasks, such as sensitivity analysis and parameter estimation, entail a huge computational complexity when dealing with input-output maps involving the solution of nonlinear differential problems, because of…

Numerical Analysis · Mathematics 2023-02-17 Ludovica Cicci , Stefania Fresca , Mengwu Guo , Andrea Manzoni , Paolo Zunino

We propose an iterative method to safely learn the unmodeled dynamics of a nonlinear system using Bayesian Gaussian process (GP) models with polynomial kernel functions. The method maintains safety by ensuring that the system state stays…

Systems and Control · Electrical Eng. & Systems 2020-04-03 Alex Devonport , He Yin , Murat Arcak

Data-driven modeling is useful for reconstructing nonlinear dynamical systems when the underlying process is unknown or too expensive to compute. Having reliable uncertainty assessment of the forecast enables tools to be deployed to predict…

Methodology · Statistics 2023-11-01 Mengyang Gu , Yizi Lin , Victor Chang Lee , Diana Qiu

Uncertainty quantification (UQ) is a crucial but challenging task in many high-dimensional regression or learning problems to increase the confidence of a given predictor. We develop a new data-driven approach for UQ in regression that…

Machine Learning · Computer Science 2024-07-19 Frederik Hoppe , Claudio Mayrink Verdun , Hannah Laus , Felix Krahmer , Holger Rauhut

Accurate and efficient uncertainty quantification is essential for resilience assessment of modern power systems under high impact and low probability disturbances. Data driven sparse polynomial chaos expansion (DDSPCE) provides a…

Systems and Control · Electrical Eng. & Systems 2026-02-26 Mahsa Ebadat-Parast , Xiaozhe Wang

Gaussian processes scale prohibitively with the size of the dataset. In response, many approximation methods have been developed, which inevitably introduce approximation error. This additional source of uncertainty, due to limited…

Machine Learning · Computer Science 2023-10-11 Jonathan Wenger , Geoff Pleiss , Marvin Pförtner , Philipp Hennig , John P. Cunningham

Recently, Gaussian processes have been used to model the vector field of continuous dynamical systems, referred to as GPODEs, which are characterized by a probabilistic ODE equation. Bayesian inference for these models has been extensively…

Machine Learning · Computer Science 2025-08-11 Jian Xu , Shian Du , Junmei Yang , Xinghao Ding , John Paisley , Delu Zeng

In this paper, we extend the Generalized Finite Difference Method (GFDM) on unknown compact submanifolds of the Euclidean domain, identified by randomly sampled data that (almost surely) lie on the interior of the manifolds. Theoretically,…

Numerical Analysis · Mathematics 2023-07-18 Shixiao W. Jiang , Rongji Li , Qile Yan , John Harlim