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相关论文: 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…

数学物理 · 物理学 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.…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

无序系统与神经网络 · 物理学 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…

机器学习 · 计算机科学 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…

宇宙学与河外天体物理 · 物理学 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…

生物大分子 · 定量生物学 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…

定量方法 · 定量生物学 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…

计算物理 · 物理学 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…

机器学习 · 计算机科学 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…

最优化与控制 · 数学 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…

最优化与控制 · 数学 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…

数值分析 · 数学 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…

计算机视觉与模式识别 · 计算机科学 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…

光学 · 物理学 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.…

最优化与控制 · 数学 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…

机器学习 · 统计学 2019-11-05 John Lee , Max Dabagia , Eva L. Dyer , Christopher J. Rozell
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