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Related papers: Laue Indexing with Optimal Transport

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This article presents a measurement technique and data analysis tool to perform 3D grain distribution mapping and indexing of oligocrystalline samples using neutrons: Laue three-dimensional neutron diffraction (Laue3DND). The approach…

Orientation mapping is a widely used technique for revealing the microstructure of a polycrystalline sample. The crystalline orientation at each point in the sample is determined by analysis of the diffraction pattern, a process known as…

Mathematical Physics · Physics 2017-10-11 Peter Mahler Larsen , Søren Schmidt

We address the identification of grain-corresponding Laue reflections in energy dispersive Laue diffraction (EDLD) experiments by formulating it as a clustering problem solvable through unsupervised machine learning (ML). To achieve…

We propose Mirror Descent Optimal Transport (MDOT), a novel method for solving discrete optimal transport (OT) problems with high precision, by unifying temperature annealing in entropic-regularized OT (EOT) with mirror descent techniques.…

Machine Learning · Computer Science 2025-06-04 Mete Kemertas , Allan D. Jepson , Amir-massoud Farahmand

Optimal transport aligns samples across distributions by minimizing the transportation cost between them, e.g., the geometric distances. Yet, it ignores coherence structure in the data such as clusters, does not handle outliers well, and…

Machine Learning · Computer Science 2023-05-31 Ching-Yao Chuang , Stefanie Jegelka , David Alvarez-Melis

Accurate grain orientation mapping is essential for understanding and optimizing the performance of polycrystalline materials, particularly in energy-related applications. Lithium nickel oxide (LiNiO$_{2}$) is a promising cathode material…

Disordered Systems and Neural Networks · Physics 2025-11-26 Sebastian Wissel , Jonas Scheunert , Aaron Dextre , Shamail Ahmed , Andreas Bayer , Kerstin Volz , Bai-Xiang Xu

Although deep neural networks are well-known for their outstanding performance in tackling complex tasks, their hunger for computational resources remains a significant hurdle, posing energy-consumption issues and restricting their…

Machine Learning · Computer Science 2025-07-16 Victor Quétu , Zhu Liao , Nour Hezbri , Fabio Pizzati , Enzo Tartaglione

A weighted, semi-discrete, fast optimal transport (OT) algorithm for reconstructing the Lagrangian positions of proto-halos from their evolved Eulerian positions is presented. The algorithm makes use of a mass estimate of the biased tracers…

Cosmology and Nongalactic Astrophysics · Physics 2023-01-10 Farnik Nikakhtar , Ravi K. Sheth , Bruno Lévy , Roya Mohayaee

Aligning electron density maps from Cryogenic electron microscopy (cryo-EM) is a first key step for studying multiple conformations of a biomolecule. As this step remains costly and challenging, with standard alignment tools being…

Biomolecules · Quantitative Biology 2022-10-19 A. Tajmir Riahi , G. Woollard , F. Poitevin , A. Condon , K. Dao Duc

Single-cell RNA-sequencing captures a temporal slice, or a snapshot, of a cell differentiation process. A major bioinformatical challenge is the inference of differentiation trajectories from a single snapshot, and methods that account for…

Quantitative Methods · Quantitative Biology 2025-02-11 Magnus Tronstad , Johan Karlsson , Joakim S. Dahlin

Serial crystallography experiments routinely produce thousands of diffraction patterns from crystals in random orientations. To turn this stream of images into a usable dataset, each pattern must be indexed before integration and merging…

Computational Physics · Physics 2025-12-01 Marc M Nasser , Frédéric Poitevin , Kevin M Dalton

We consider inference (filtering) problems over probabilistic graphical models with aggregate data generated by a large population of individuals. We propose a new efficient belief propagation type algorithm over tree-structured graphs with…

Machine Learning · Computer Science 2020-10-06 Rahul Singh , Isabel Haasler , Qinsheng Zhang , Johan Karlsson , Yongxin Chen

We study the Unbalanced Optimal Transport (UOT) between two measures of possibly different masses with at most $n$ components, where the marginal constraints of standard Optimal Transport (OT) are relaxed via Kullback-Leibler divergence…

Optimization and Control · Mathematics 2024-01-09 Quang Minh Nguyen , Hoang H. Nguyen , Yi Zhou , Lam M. Nguyen

In its most general form, the optimal transport problem is an infinite-dimensional optimization problem, yet certain notable instances admit closed-form solutions. We identify the common source of this tractability as \textit{symmetry} and…

Optimization and Control · Mathematics 2026-05-22 Bahar Taskesen

This paper introduces the use of unbalanced optimal transport methods as a similarity measure for diffeomorphic matching of imaging data. The similarity measure is a key object in diffeomorphic registration methods that, together with the…

Numerical Analysis · Mathematics 2017-06-19 Jean Feydy , Benjamin Charlier , François-Xavier Vialard , Gabriel Peyré

Polycrystalline materials have numerous applications due to their unique properties, which are often determined by the grain boundaries. Hence, quantitative characterization of grain as well as interface orientation is essential to optimize…

Sampling from diffusion probabilistic models (DPMs) can be viewed as a piecewise distribution transformation, which generally requires hundreds or thousands of steps of the inverse diffusion trajectory to get a high-quality image. Recent…

Computer Vision and Pattern Recognition · Computer Science 2023-07-24 Zezeng Li , ShengHao Li , Zhanpeng Wang , Na Lei , Zhongxuan Luo , Xianfeng Gu

Retrieving the phase of a complex-valued field from the measurements of its amplitude is a crucial problem with a wide range of applications in microscopy and ultracold atomic physics. In particular, obtaining an accurate and efficient…

Optics · Physics 2025-06-16 Andrii Torchylo

Unbalanced optimal transport (UOT) extends optimal transport (OT) to take into account mass variations to compare distributions. This is crucial to make OT successful in ML applications, making it robust to data normalization and outliers.…

Optimization and Control · Mathematics 2022-01-04 Thibault Séjourné , François-Xavier Vialard , Gabriel Peyré

In many machine learning applications, it is necessary to meaningfully aggregate, through alignment, different but related datasets. Optimal transport (OT)-based approaches pose alignment as a divergence minimization problem: the aim is to…

Machine Learning · Statistics 2019-11-05 John Lee , Max Dabagia , Eva L. Dyer , Christopher J. Rozell
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