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Rolling bearings are subject to various faults due to its long-time operation under harsh environment, which will lead to unexpected breakdown of machinery system and cause severe accidents. Deep learning methods recently have gained…

Machine Learning · Computer Science 2021-09-21 Mingxuan Liang , Kai Zhou

Machine learning (ML) offers considerable promise for the design of new molecules and materials. In real-world applications, the design problem is often domain-specific, and suffers from insufficient data, particularly labeled data, for ML…

Chemical Physics · Physics 2025-02-04 Ming Han , Ge Sun , Juan J. de Pablo

We introduce a computational efficient data-driven framework suitable for quantifying the uncertainty in physical parameters and model formulation of computer models, represented by differential equations. We construct physics-informed…

Machine Learning · Statistics 2023-02-01 Michail Spitieris , Ingelin Steinsland

From biological organs to soft robotics, highly deformable materials are essential components of natural and engineered systems. These highly deformable materials can have heterogeneous material properties, and can experience heterogeneous…

Machine Learning · Computer Science 2023-08-31 Quan Nguyen , Emma Lejeune

For many novel applications, such as patient-specific computer-aided surgery, conventional solution techniques of the underlying nonlinear problems are usually computationally too expensive and are lacking information about how certain can…

Machine Learning · Computer Science 2022-07-18 Saurabh Deshpande , Jakub Lengiewicz , Stéphane P. A. Bordas

Recent advances in deep learning frameworks have established valuable tools for analyzing the long-timescale behavior of complex systems such as proteins. Especially the inclusion of physical constraints, e.g. time-reversibility, was a…

Quantitative Methods · Quantitative Biology 2021-12-22 Andreas Mardt , Frank Noé

Metal additive manufacturing enables unprecedented design freedom and the production of customized, complex components. However, the rapid melting and solidification dynamics inherent to metal AM processes generate heterogeneous,…

Machine Learning · Computer Science 2025-05-05 D. Patel , R. Sharma , Y. B. Guo

Generative models such as denoising diffusion models are quickly advancing their ability to approximate highly complex data distributions. They are also increasingly leveraged in scientific machine learning, where samples from the implied…

Machine Learning · Computer Science 2025-03-14 Jan-Hendrik Bastek , WaiChing Sun , Dennis M. Kochmann

Despite the successful implementations of physics-informed neural networks in different scientific domains, it has been shown that for complex nonlinear systems, achieving an accurate model requires extensive hyperparameter tuning, network…

Computational Engineering, Finance, and Science · Computer Science 2022-11-30 Milad Ramezankhani , Amir Nazemi , Apurva Narayan , Heinz Voggenreiter , Mehrtash Harandi , Rudolf Seethaler , Abbas S. Milani

We study iterative methods for (two-stage) robust combinatorial optimization problems with discrete uncertainty. We propose a machine-learning-based heuristic to determine starting scenarios that provide strong lower bounds. To this end, we…

Optimization and Control · Mathematics 2022-12-26 Marc Goerigk , Jannis Kurtz

We consider deep multivariate models for heterogeneous collections of random variables. In the context of computer vision, such collections may e.g. consist of images, segmentations, image attributes, and latent variables. When developing…

Machine Learning · Computer Science 2026-02-03 Dmitrij Schlesinger , Boris Flach , Alexander Shekhovtsov

Physics-informed neural networks have gained growing interest. Specifically, they are used to solve partial differential equations governing several physical phenomena. However, physics-informed neural network models suffer from several…

Computational Engineering, Finance, and Science · Computer Science 2022-11-29 Diab W. Abueidda , Seid Koric , Erman Guleryuz , Nahil A. Sobh

Experimental data is often affected by uncontrolled variables that make analysis and interpretation difficult. For spatiotemporal systems, this problem is further exacerbated by their intricate dynamics. Modern machine learning methods are…

Computational Physics · Physics 2020-09-16 Peter Y. Lu , Samuel Kim , Marin Soljačić

Physics-informed machine learning (PIML) integrates partial differential equations (PDEs) into machine learning models to solve inverse problems, such as estimating coefficient functions (e.g., the Hamiltonian function) that characterize…

Computational Physics · Physics 2025-11-07 Yoh-ichi Mototake , Makoto Sasaki

Coarse-Graining (CG) models are low resolution approximation of high resolution models, such as all-atomic (AA) models. An effective CG model is expected to reproduce equilibrium values of sufficient physical quantities of its AA model,…

Statistical Mechanics · Physics 2015-02-10 Shijing Lu , Xin Zhou

In recent years, deep learning has proven to be a viable methodology for surrogate modeling and uncertainty quantification for a vast number of physical systems. However, in their traditional form, such models can require a large amount of…

Computational Physics · Physics 2019-12-04 Nicholas Geneva , Nicholas Zabaras

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

Partial differential equations (PDEs) that fit scientific data can represent physical laws with explainable mechanisms for various mathematically-oriented subjects, such as physics and finance. The data-driven discovery of PDEs from…

Machine Learning · Computer Science 2023-05-29 Yingtao Luo , Qiang Liu , Yuntian Chen , Wenbo Hu , Tian Tian , Jun Zhu

Analyzing large volumes of high-dimensional data requires dimensionality reduction: finding meaningful low-dimensional structures hidden in their high-dimensional observations. Such practice is needed in atomistic simulations of complex…

Computational Physics · Physics 2023-10-17 Jakub Rydzewski , Ming Chen , Omar Valsson

Building robust, interpretable, and secure AI system requires quantifying and representing uncertainty under a probabilistic perspective to mimic human cognitive abilities. However, probabilistic computation presents significant challenges…

Machine Learning · Computer Science 2024-01-15 Hengyuan Ma , Yang Qi , Li Zhang , Wenlian Lu , Jianfeng Feng