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A variety of researchers have successfully obtained the parameters of low dimensional diffusion models using the data that comes out of atomistic simulations. This naturally raises a variety of questions about efficient estimation,…

Statistical Mechanics · Physics 2015-11-06 Christopher P. Calderon

High-pressure crystal structure prediction (CSP) underpins advances in condensed matter physics, planetary science, and materials discovery. Yet, most large atomistic models are trained on near-ambient, equilibrium data, leading to degraded…

Materials Science · Physics 2025-09-15 Yinan Wang , Xiaoyang Wang , Zhenyu Wang , Jing Wu , Jian Lv , Han Wang

Using positional data from video-microscopy of a two-dimensional colloidal system and from simulations of hard discs we determine the wave-vector-dependent normal mode spring constants in the supercooled fluid and glassy state,…

Soft Condensed Matter · Physics 2012-10-26 Christian L. Klix , Florian Ebert , Fabian Weysser , Matthias Fuchs , Georg Maret , Peter Keim

The study of spin-glass dynamics, long considered the paradigmatic complex system, has reached important milestones. The availability of single crystals has allowed the experimental measurement of spin-glass coherence lengths of almost…

Data-driven stellar classification has a long and important history in astronomy, dating as far back as Annie Jump Cannon's "by eye" classifications of stars into spectral types still used today. In recent years, data-driven spectroscopy…

Solar and Stellar Astrophysics · Physics 2026-01-30 Isabel Angelo , Erik Petigura , Megan Bedell

Decision makers routinely use constrained optimization technology to plan and operate complex systems like global supply chains or power grids. In this context, practitioners must assess how close a computed solution is to optimality in…

Machine Learning · Statistics 2026-03-24 Miao Li , Michael Klamkin , Russell Bent , Pascal Van Hentenryck

The performance of adaptive optics systems is partially dependant on the algorithms used within the real-time control system to compute wavefront slope measurements. We demonstrate use of a matched filter algorithm for the processing of…

Accurate prediction of polymer material properties through data-driven approaches greatly accelerates novel material development by reducing redundant experiments and trial-and-error processes. However, inevitable outliers in empirical…

Soft Condensed Matter · Physics 2025-06-11 Wanshan Cui , Yejin Jeong , Inwook Song , Gyuri Kim , Minsang Kwon , Donghun Lee

Achieving a truly accurate wavelength calibration of high-dispersion echelle spectrographs is a challenging task but crucially needed for certain science cases, e.g. to test for a possible variation of the fine-structure constant in quasar…

Instrumentation and Methods for Astrophysics · Physics 2024-04-09 Tobias M. Schmidt , François Bouchy

In this paper, we address the identification problem for the systems characterized by linear time-invariant dynamics with bilinear observation models. More precisely, we consider a suitable parametric description of the system and formulate…

Systems and Control · Electrical Eng. & Systems 2025-02-24 Diyou Liu , Mohammad Khosravi

We present GLASSES: Global optimisation with Look-Ahead through Stochastic Simulation and Expected-loss Search. The majority of global optimisation approaches in use are myopic, in only considering the impact of the next function value; the…

Machine Learning · Statistics 2015-10-22 Javier González , Michael Osborne , Neil D. Lawrence

The Shear TEsting Programme (STEP) is a collaborative project to improve the accuracy and reliability of weak lensing measurement, in preparation for the next generation of wide-field surveys. We review sixteen current and emerging shear…

Distributed calibration based on consensus optimization is a computationally efficient method to calibrate large radio interferometers such as LOFAR and SKA. Calibrating along multiple directions in the sky and removing the bright…

Instrumentation and Methods for Astrophysics · Physics 2021-10-29 Sarod Yatawatta

The thermal subsystem of the Mars Express (MEX) spacecraft keeps the on-board equipment within its pre-defined operating temperatures range. To plan and optimize the scientific operations of MEX, its operators need to estimate in advance,…

This document is one of the deliverable reports created for the ESCAPE project. ESCAPE stands for Energy-efficient Scalable Algorithms for Weather Prediction at Exascale. The project develops world-class, extreme-scale computing…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-08-20 Cyril Mazauric , Erwan Raffin , Xavier Vigouroux , David Guibert , Alex Macfaden , Jacob Poulsen , Per Berg , Alan Gray , Peter Messmer

In high energy density physics (HEDP) and inertial confinement fusion (ICF), predictive modeling is complicated by uncertainty in parameters that characterize various aspects of the modeled system, such as those characterizing material…

We develop a transferable machine learning model which predicts structural relaxation from amorphous supercooled liquid structures. The trained networks are able to predict dynamic heterogeneity across a broad range of temperatures and time…

Soft Condensed Matter · Physics 2024-02-27 Gerhard Jung , Giulio Biroli , Ludovic Berthier

In the quest to understand how structure and dynamics are connected in glasses, a number of machine learning based methods have been developed that predict dynamics in supercooled liquids. These methods include both increasingly complex…

Soft Condensed Matter · Physics 2022-06-08 Rinske M. Alkemade , Emanuele Boattini , Laura Filion , Frank Smallenburg

Elastic models of the glass transition relate the relaxation dynamics and the elastic properties of structural glasses. They are based on the assumption that the relaxation dynamics occurs through activated events in the energy landscape…

Soft Condensed Matter · Physics 2015-08-20 M. Pica Ciamarra , Peter Sollich

Results from large-eddy simulations of a classical hydraulic jump at inlet Froude number 2 are reported. The computations are performed using the general-purpose finite-volume based code OpenFOAM, and the primary goal is to evaluate the…

Fluid Dynamics · Physics 2020-07-06 Timofey Mukha , Silje Kreken Almeland , Rickard E. Bensow
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