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The convergence of statistical learning and molecular physics is transforming our approach to modeling biomolecular systems. Physics-informed machine learning (PIML) offers a systematic framework that integrates data-driven inference with…

Biomolecules · Quantitative Biology 2025-11-11 Aaryesh Deshpande

In this paper, we present a machine learning-based data generator framework tailored to aid researchers who utilize simulations to examine various physical systems or processes. High computational costs and the resulting limited data often…

Machine Learning · Computer Science 2023-05-17 Sabber Ahamed , Md Mesbah Uddin

Realizing large materials models has emerged as a critical endeavor for materials research in the new era of artificial intelligence, but how to achieve this fantastic and challenging objective remains elusive. Here, we propose a feasible…

A Deep Neural Network is applied to classify physical signatures obtained from physical sensor measurements of running gasoline and diesel-powered vehicles and other devices. The classification provides information on the target identities…

Machine Learning · Computer Science 2018-11-16 Benjamin Epstein , Roy H. Olsson

Machine Learning tools are nowadays widely applied extensively to the prediction of the properties of molecular materials, using datasets extracted from high-throughput computational models. In several cases of scientific and technological…

Materials Science · Physics 2021-02-10 Fabio Le Piane , Matteo Baldoni , Francesco Mercuri

Simulating particle dynamics with high fidelity is crucial for solving real-world interaction and control tasks involving liquids in design, graphics, and robotics. Recently, data-driven approaches, particularly those based on graph neural…

Machine Learning · Computer Science 2025-12-01 Niteesh Midlagajni , Constantin A. Rothkopf

MOTIVATION: Proteins fold into complex structures that are crucial for their biological functions. Experimental determination of protein structures is costly and therefore limited to a small fraction of all known proteins. Hence, different…

Biomolecules · Quantitative Biology 2018-04-18 David Menéndez Hurtado , Karolis Uziela , Arne Elofsson

Accurately modeling the mechanical behavior of materials is crucial for numerous engineering applications. The quality of these models depends directly on the accuracy of the constitutive law that defines the stress-strain relation.…

Materials Science · Physics 2025-03-18 Zhichao Han , Mohit Pundir , Olga Fink , David S. Kammer

We develop a data-driven machine learning approach to identifying parameters with steady-state solutions, locating such solutions, and determining their linear stability for systems of ordinary differential equations and dynamical systems…

Numerical Analysis · Mathematics 2025-03-11 Yimeng Zhang , Alexander Cloninger , Bo Li , Xiaochuan Tian

Laser cutting is a widely adopted technology in material processing across various industries, but it generates a significant amount of dust, smoke, and aerosols during operation, posing a risk to both the environment and workers' health.…

Computer Vision and Pattern Recognition · Computer Science 2025-11-21 Mohamed Abdallah Salem , Hamdy Ahmed Ashur , Ahmed Elshinnawy

Machine learning and deep learning have been used extensively to classify physical surfaces through images and time-series contact data. However, these methods rely on human expertise and entail the time-consuming processes of data and…

Machine Learning · Computer Science 2023-08-10 Behnam Khojasteh , Friedrich Solowjow , Sebastian Trimpe , Katherine J. Kuchenbecker

Deep learning models are widely used across computer vision and other domains. When working on the model induction, selecting the right architecture for a given dataset often relies on repetitive trial-and-error procedures. This procedure…

Machine Learning · Computer Science 2026-01-06 Yen-Chia Chen , Hsing-Kuo Pao , Hanjuan Huang

We present a deep transformation model for probabilistic regression. Deep learning is known for outstandingly accurate predictions on complex data but in regression tasks, it is predominantly used to just predict a single number. This…

Machine Learning · Statistics 2020-04-02 Beate Sick , Torsten Hothorn , Oliver Dürr

In this study, we propose a machine-learning-based approach to identify the modal parameters of the output-only data for structural health monitoring (SHM) that makes full use of the characteristic of independence of modal responses and the…

Machine Learning · Computer Science 2020-06-25 Dawei Liu , Zhiyi Tang , Yuequan Bao , Hui Li

In this work, we introduce a machine/deep learning methodology to solve parametric integrals. Besides classical machine learning approaches, we consider a differential learning framework that incorporates derivative information during…

Machine Learning · Computer Science 2025-12-15 Álvaro Leitao , Jonatan Ráfales

There are several numerical models that describe real phenomena being used to solve complex problems. For example, an accurate numerical breast model can provide assistance to surgeons with visual information of the breast as a result of a…

Medical Physics · Physics 2020-03-17 Diogo Lopes , António Ramires Fernandes , Stéphane Clain

Neural Networks (NN) has been used in many areas with great success. When a NN's structure (Model) is given, during the training steps, the parameters of the model are determined using an appropriate criterion and an optimization algorithm…

Machine Learning · Computer Science 2024-08-15 Ali Mohammad-Djafari , Ning Chu , Li Wang , Caifang Cai , Liang Yu

Capturing intricate biological phenomena often requires multiscale modeling where coarse and inexpensive models are developed using limited components of expensive and high-fidelity models. Here, we consider such a multiscale framework in…

Quantitative Methods · Quantitative Biology 2022-07-12 Konstantia Georgouli , Helgi I Ingólfsson , Fikret Aydin , Mark Heimann , Felice C Lightstone , Peer-Timo Bremer , Harsh Bhatia

The characterization of dynamical processes in living systems provides important clues for their mechanistic interpretation and link to biological functions. Thanks to recent advances in microscopy techniques, it is now possible to…

Data Analysis, Statistics and Probability · Physics 2023-11-29 Jesús Pineda , Benjamin Midtvedt , Harshith Bachimanchi , Sergio Noé , Daniel Midtvedt , Giovanni Volpe , Carlo Manzo

Parameter estimation in structural dynamics generally involves inferring the values of physical, geometric, or even customized parameters based on first principles or expert knowledge, which is challenging for complex structural systems. In…

Computational Engineering, Finance, and Science · Computer Science 2025-04-08 Mingyuan Zhou , Haoze Song , Wenjing Ye , Wei Wang , Zhilu Lai
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