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Machine learning (ML) and deep learning models are extensively used for parameter optimization and regression problems. However, not all inverse problems in ML are ``identifiable,'' indicating that model parameters may not be uniquely…

Machine Learning · Computer Science 2023-07-24 Reza Sameni

Traditional atomistic machine learning (ML) models serve as surrogates for quantum mechanical (QM) properties, predicting quantities such as dipole moments and polarizabilities, directly from compositions and geometries of atomic…

Structural defects within amorphous packings of symmetric particles can be characterized using a machine learning approach that incorporates structure functions of radial distances and angular arrangement. This yields a scalar field,…

Soft Condensed Matter · Physics 2019-03-06 Matt Harrington , Andrea J. Liu , Douglas J. Durian

Surface wettability, governed by both topography and chemistry, plays a critical role in applications such as heat transfer, lubrication, microfluidics, and surface coatings. In this study, we present a machine learning (ML) framework…

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

Simulating abundances of stable water isotopologues, i.e. molecules differing in their isotopic composition, within climate models allows for comparisons with proxy data and, thus, for testing hypotheses about past climate and validating…

Atmospheric and Oceanic Physics · Physics 2023-11-28 Jonathan Wider , Jakob Kruse , Nils Weitzel , Janica C. Bühler , Ullrich Köthe , Kira Rehfeld

The growing number of seismic and elastic attributes poses a challenge, making the full benefit from each attribute in characterizing geological formation very difficult, if not impossible. Various approaches are routinely employed to…

Geophysics · Physics 2024-10-30 Mohammed Farfour , Rachid Hedjam , Douglas Foster , Said Gaci

The electron density of a molecule or material has recently received major attention as a target quantity of machine-learning models. A natural choice to construct a model that yields transferable and linear-scaling predictions is to…

Chemical Physics · Physics 2022-06-29 Andrea Grisafi , Alan M. Lewis , Mariana Rossi , Michele Ceriotti

We present a novel deep learning framework for flow field predictions in irregular domains when the solution is a function of the geometry of either the domain or objects inside the domain. Grid vertices in a computational fluid dynamics…

Machine Learning · Computer Science 2021-09-20 Ali Kashefi , Davis Rempe , Leonidas J. Guibas

Process optimization in chemical engineering may be hindered by the limited availability of reliable thermodynamic data for fluid mixtures. Remarkable progress is being made in predicting thermodynamic mixture properties by machine learning…

Computational Engineering, Finance, and Science · Computer Science 2025-10-14 Martin Bubel , Tobias Seidel , Michael Bortz

The difficulty in describing the equation of state (EoS) for nuclear matter at densities above the saturation density ($\rho_0$) has led to the emergence of a multitude of models based on different assumptions and techniques. These EoSs,…

Nuclear Theory · Physics 2024-01-17 Ameya Thete , Kinjal Banerjee , Tuhin Malik

We examine the use of a novel variant of Physics-Informed Neural Networks to predict cosmological parameters from recent supernovae and baryon acoustic oscillations (BAO) datasets. Our machine learning framework generates uncertainty…

Cosmology and Nongalactic Astrophysics · Physics 2025-12-09 Hai Siong Tan

An important yet challenging aspect of atomistic materials modeling is reconciling experimental and computational results. Conventional approaches involve generating numerous configurations through molecular dynamics or Monte Carlo…

Materials Science · Physics 2024-12-23 Tigany Zarrouk , Rina Ibragimova , Albert P. Bartók , Miguel A. Caro

We introduce a robust, interpretable machine learning (ML) framework that combines numerical regression for high-accuracy predictions with symbolic regression to uncover the underlying physics. This hybrid approach effciently derives…

Nuclear Theory · Physics 2025-12-09 B. Maheshwari , P. Van Isacker

We propose a computational framework, Hetero-EUCLID, for segmentation and parameter identification to characterize the full hyperelastic behavior of all constituents of a heterogeneous material. In this work, we leverage the Bayesian-EUCLID…

Computational Engineering, Finance, and Science · Computer Science 2026-01-19 Kanhaiya Lal Chaurasiya , Saurav Dutta , Siddhant Kumar , Akshay Joshi

Hydrofluoroolefins are considered the most promising next-generation refrigerants due to their extremely low global warming potential values, which can effectively mitigate the global warming effect. However, the lack of reliable…

Machine Learning · Computer Science 2025-07-30 Gang Wang , Peng Hu

The question of correlations among empirical equation of state (EoS) parameters constrained by nuclear observables is addressed in a fully empirical meta-modeling approach. A recently proposed meta-modeling for the nuclear EoS in nuclear…

Nuclear Theory · Physics 2017-12-27 D. Chatterjee , F. Gulminelli , Ad. R. Raduta , J. Margueron

This work introduces a neural architecture for learning forward models of stochastic environments. The task is achieved solely through learning from temporal unstructured observations in the form of images. Once trained, the model allows…

Machine Learning · Computer Science 2021-12-16 Marian Andrecki , Nicholas K. Taylor

Machine learning approaches have been widely used for discovering the underlying physics of dynamical systems from measured data. Existing approaches, however, still lack robustness, especially when the measured data contain a large level…

Computational Engineering, Finance, and Science · Computer Science 2022-06-08 Zhiming Zhang , Yongming Liu

High-impedance faults (HIF) are difficult to detect because of their low current amplitude and highly diverse characteristics. In recent years, machine learning (ML) has been gaining popularity in HIF detection because ML techniques learn…

Machine Learning · Computer Science 2021-06-28 Khushwant Rai , Farnam Hojatpanah , Firouz Badrkhani Ajaei , Katarina Grolinger