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Owing to its high scalability and computational efficiency, machine learning methods have been increasingly integrated into various scientific research domains, including ab initio-based materials design. It has been demonstrated that, by…

Materials Science · Physics 2025-10-16 Feng Chen , Shu Li , Xin Chen , Dennis Wong , Biplab Sanyal , Duo Wang

Single particle cryo-electron microscopy is a vital tool for 3D characterization of protein structures. A typical workflow involves acquiring projection images of a collection of randomly oriented particles, picking and classifying…

Image and Video Processing · Electrical Eng. & Systems 2021-03-22 S. V. Venkatakrishnan , Puneet Juneja , Hugh O'Neill

Experimental High Energy Physics has entered an era of precision measurements. However, measurements of many of the accessible processes assume that the final states' underlying kinematic distribution is the same as the Standard Model…

High Energy Physics - Phenomenology · Physics 2024-07-16 Lorenz Gärtner , Nikolai Hartmann , Lukas Heinrich , Malin Horstmann , Thomas Kuhr , Méril Reboud , Slavomira Stefkova , Danny van Dyk

Proton radiography is a technique extensively used to resolve magnetic field structures in high energy density plasmas, revealing a whole variety of interesting phenomena such as magnetic reconnection and collisionless shocks found in…

Obtaining system parameters and reconstructing the full flow state from limited velocity observations using conventional fluid dynamics solvers can be prohibitively expensive. Here we employ machine learning algorithms to overcome the…

Fluid Dynamics · Physics 2024-10-17 Vladimir Parfenyev , Mark Blumenau , Ilia Nikitin

Analytical electron microscopy and spectroscopy of biological specimens, polymers, and other beam sensitive materials has been a challenging area due to irradiation damage. There is a pressing need to develop novel imaging and spectroscopic…

Machine Learning · Computer Science 2017-07-14 Yan Zhang , G. M. Dilshan Godaliyadda , Nicola Ferrier , Emine B. Gulsoy , Charles A. Bouman , Charudatta Phatak

Machine Learning (ML) has the potential to accelerate discovery of new materials and shed light on useful properties of existing materials. A key difficulty when applying ML in Materials Science is that experimental datasets of material…

We derive a continuum-level plasticity model for polycrystalline materials in the high energy density regime, based on a single dislocation density and single mobility mechanism, with an evolution model for the dislocation density. The…

Bayesian hierarchical inference of phenomenological parameterized neutron star equations of state (EoS) from multiple gravitational wave observations of binary neutron star mergers is of fundamental importance in improving our understanding…

General Relativity and Quantum Cosmology · Physics 2023-03-08 Anarya Ray , Michael Camilo , Jolien Creighton , Shaon Ghosh , Soichiro Morisaki

Machine learning (ML) models utilizing structure-based features provide an efficient means for accurate property predictions across diverse chemical spaces. However, obtaining equilibrium crystal structures typically requires expensive…

Materials Science · Physics 2021-04-22 Yunxing Zuo , Mingde Qin , Chi Chen , Weike Ye , Xiangguo Li , Jian Luo , Shyue Ping Ong

The error propagation among estimated parameters reflects the correlation among the parameters. We study the capability of machine learning of "learning" the correlation of estimated parameters. We show that machine learning can recover the…

Astrophysics of Galaxies · Physics 2024-01-10 Xilong Fan , Peizheng Wang , Jin Li , Nan Yang

This work is focussed on the inversion task of inferring the distribution over parameters of interest leading to multiple sets of observations. The potential to solve such distributional inversion problems is driven by increasing…

Machine Learning · Statistics 2026-05-06 Arnaud Vadeboncoeur , Mark Girolami , Andrew M. Stuart

Learning-based methods commonly treat state estimation in robotics as a sequence modeling problem. While this paradigm can be effective at maximizing end-to-end performance, models are often difficult to interpret and expensive to train,…

Robotics · Computer Science 2026-05-07 Lennart Röstel , Berthold Bäuml

Data-driven material models have many advantages over classical numerical approaches, such as the direct utilization of experimental data and the possibility to improve performance of predictions when additional data is available. One…

Computational Engineering, Finance, and Science · Computer Science 2020-06-11 Dengpeng Huang , Jan Niklas Fuhg , Christian Weißenfels , Peter Wriggers

We develop a Machine Learning Inversion method for analyzing scattering functions of mechanically driven polymers and extracting the corresponding feature parameters, which include energy parameters and conformation variables. The polymer…

Soft Condensed Matter · Physics 2025-11-21 Lijie Ding , Chi-Huan Tung , Bobby G. Sumpter , Wei-Ren Chen , Changwoo Do

Motivated by recent developments in perturbative calculations of the nonlinear evolution of large-scale structure, we present an iterative algorithm to reconstruct the initial conditions in a given volume starting from the dark matter…

Cosmology and Nongalactic Astrophysics · Physics 2020-12-01 Marcel Schmittfull , Tobias Baldauf , Matias Zaldarriaga

Mass spectrometry is a widespread approach to work out what are the constituents of a material. Atoms and molecules are removed from the material and collected, and subsequently, a critical step is to infer their correct identities based…

Machine learning has the potential to accelerate materials discovery by accurately predicting materials properties at a low computational cost. However, the model inputs remain a key stumbling block. Current methods typically use…

Computational Physics · Physics 2021-01-07 Rhys E. A. Goodall , Alpha A. Lee

Inferring parameters of macro-kinetic growth models, typically represented by Ordinary Differential Equations (ODE), from the experimental data is a crucial step in bioprocess engineering. Conventionally, estimates of the parameters are…

Machine Learning · Computer Science 2023-12-07 Maxim Borisyak , Stefan Born , Peter Neubauer , Mariano Nicolas Cruz-Bournazou

Physics-guided approaches offer a promising path toward accurate and generalisable impact identification in composite structures, especially when experimental data are sparse. This paper presents a hybrid framework for impact localisation…

Data Analysis, Statistics and Probability · Physics 2026-02-24 Dong Xiao , Zahra Sharif-Khodaei , M. H. Aliabadi