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We present a method for predicting the space group of a structure given a calculated or measured atomic pair distribution function (PDF) from that structure. The method utilizes machine learning models trained on more than 100,000 PDFs…

Materials Science · Physics 2019-10-21 Chia-Hao Liu , Yunzhe Tao , Daniel Hsu , Qiang Du , Simon J. L. Billinge

A new approach is presented to obtain candidate structures from atomic pair distribution function (PDF) data in a highly automated way. It fetches, from web-based structural databases, all the structures meeting the experimenter's search…

Materials Science · Physics 2020-05-07 Long Yang , Pavol Juhás , Maxwell W. Terban , Matthew G. Tucker , Simon J. L. Billinge

Parton Distribution Functions (PDFs) play a central role in describing experimental data at colliders and provide insight into the structure of nucleons. As the LHC enters an era of high-precision measurements, a robust PDF determination…

High Energy Physics - Phenomenology · Physics 2026-01-21 Amedeo Chiefa , Luigi Del Debbio , Richard Kenway

Determination of crystal structures of nanocrystalline or amorphous compounds is a great challenge in solid states chemistry and physics. Pair distribution function (PDF) analysis of X-Ray or neutron total scattering data has proven to be a…

Materials Science · Physics 2025-07-14 Magnus Kløve , Sanna Sommer , Bo B. Iversen , Bjørk Hammer , Wilke Dononelli

We present a new regression model for the determination of parton distribution functions (PDF) using techniques inspired from deep learning projects. In the context of the NNPDF methodology, we implement a new efficient computing framework…

High Energy Physics - Phenomenology · Physics 2019-09-04 Stefano Carrazza , Juan Cruz-Martinez

We critically assess the robustness of uncertainties on parton distribution functions (PDFs) determined using neural networks from global sets of experimental data collected from multiple experiments. We view the determination of PDFs as an…

High Energy Physics - Phenomenology · Physics 2025-03-25 Andrea Barontini , Mark N. Costantini , Giovanni De Crescenzo , Stefano Forte , Maria Ubiali

One-point probability distribution functions (PDFs) of the cosmic matter density are powerful cosmological probes that extract non-Gaussian properties of the matter distribution and complement two-point statistics. Computing the covariance…

Cosmology and Nongalactic Astrophysics · Physics 2023-01-09 Cora Uhlemann , Oliver Friedrich , Aoife Boyle , Alex Gough , Alexandre Barthelemy , Francis Bernardeau , Sandrine Codis

We show that the information gained in spectroscopic experiments regarding the number and distribution of atomic environments can be used as a valuable constraint in the refinement of the atomic-scale structures of nanostructured or…

Materials Science · Physics 2015-05-14 Matthew J Cliffe , Martin T. Dove , D. A. Drabold , Andrew L. Goodwin

Representing the parton distribution functions (PDFs) of the proton and other hadrons through flexible, high-fidelity parametrizations has been a long-standing goal of particle physics phenomenology. This is particularly true since the…

High Energy Physics - Phenomenology · Physics 2024-06-21 Brandon Kriesten , T. J. Hobbs

We review various methods used to estimate uncertainties in quantum correlation functions, such as parton distribution functions (PDFs). Using a toy model of a PDF, we compare the uncertainty estimates yielded by the traditional Hessian and…

High Energy Physics - Phenomenology · Physics 2022-08-17 N. T. Hunt-Smith , A. Accardi , W. Melnitchouk , N. Sato , A. W. Thomas , M. J. White

Despite the high performance achieved by deep neural networks on various tasks, extensive studies have demonstrated that small tweaks in the input could fail the model predictions. This issue of deep neural networks has led to a number of…

Machine Learning · Computer Science 2022-02-22 Ming-Chang Chiu , Xuezhe Ma

Uncertainty propagation in nonlinear dynamic systems remains an outstanding problem in scientific computing and control. Numerous approaches have been developed, but are limited in their capability to tackle problems with more than a few…

Dynamical Systems · Mathematics 2019-11-22 Tenavi Nakamura-Zimmerer , Daniele Venturi , Qi Gong , Wei Kang

The use of machine learning algorithms in theoretical and experimental high-energy physics has experienced an impressive progress in recent years, with applications from trigger selection to jet substructure classification and detector…

High Energy Physics - Phenomenology · Physics 2018-09-13 Juan Rojo

An image plate (IP) detector coupled with high energy synchrotron radiation was used for atomic pair distribution function (PDF) analysis, with high probed momentum transfer \Qmax $\leq 28.5$ \RAA from crystalline materials. Materials with…

A robust uncertainty estimate in global analyses of Parton Distribution Functions (PDFs) is essential at the Large Hadron Collider (LHC), especially in view of the high-precision data anticipated by experimentalists in the High-Luminosity…

High Energy Physics - Phenomenology · Physics 2026-04-14 Mark N. Costantini , Luca Mantani , James M. Moore , Maria Ubiali

Machine learning has demonstrated remarkable promise for solving the trajectory generation problem and in paving the way for online use of trajectory optimization for resource-constrained spacecraft. However, a key shortcoming in current…

Robotics · Computer Science 2025-01-03 Julia Briden , Breanna Johnson , Richard Linares , Abhishek Cauligi

The literature on provable robustness in machine learning has primarily focused on static prediction problems, such as image classification, in which input samples are assumed to be independent and model performance is measured as an…

Machine Learning · Computer Science 2023-03-30 Aounon Kumar , Vinu Sankar Sadasivan , Soheil Feizi

Probability density function (PDF) based turbulent combustion modelling is limited by the need to store multi-dimensional PDF tables that can take up large amounts of memory. A significant saving in storage can be achieved by using various…

Computational Engineering, Finance, and Science · Computer Science 2020-05-21 Rishikesh Ranade , Genong Li , Shaoping Li , Tarek Echekki

Accurate Standard Model predictions of proton-proton collisions are essential for interpreting the current and forthcoming experimental measurements from high-energy colliders. The quest for physics beyond the Standard Model is in fact…

High Energy Physics - Phenomenology · Physics 2025-04-09 Giacomo Magni

Geometric transformations of the training data as well as the test data present challenges to the use of deep neural networks to vision-based learning tasks. In order to address this issue, we present a deep neural network model that…

Computer Vision and Pattern Recognition · Computer Science 2022-10-21 Sai Raam Venkataraman , S. Balasubramanian , R. Raghunatha Sarma
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