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For an autonomous vehicle, the ability to sense its surroundings and to build an overall representation of the environment by fusing different sensor data streams is fundamental. To this end, the poses of all sensors need to be accurately…

Robotics · Computer Science 2022-11-07 Brahayam Ponton , Magda Ferri , Lars Koenig , Marcus Bartels

Molecule-optimized basis sets, based on approximate natural orbitals, are developed for accelerating the convergence of quantum calculations with strongly correlated (multi-referenced) electrons. We use a low-cost approximate solution of…

Chemical Physics · Physics 2014-02-12 Gergely Gidofalvi , David A. Mazziotti

Single-cell genomics has significantly advanced our understanding of cellular behavior, catalyzing innovations in treatments and precision medicine. However, single-cell sequencing technologies are inherently destructive and can only…

Machine Learning · Statistics 2024-11-08 Dominik Klein , Théo Uscidda , Fabian Theis , Marco Cuturi

We propose a framework to jointly determine the deformation parameters and reconstruct the unknown volume in electron cryotomography (CryoET). CryoET aims to reconstruct three-dimensional biological samples from two-dimensional projections.…

Image and Video Processing · Electrical Eng. & Systems 2023-10-17 Valentin Debarnot , Sidharth Gupta , Konik Kothari , Ivan Dokmanic

Optimal transport (OT) plays an essential role in various areas like machine learning and deep learning. However, computing discrete optimal transport plan for large scale problems with adequate accuracy and efficiency is still highly…

Machine Learning · Computer Science 2021-07-20 Dongsheng An , Na Lei , Xianfeng Gu

Efficient comparison of spherical probability distributions becomes important in fields such as computer vision, geosciences, and medicine. Sliced optimal transport distances, such as spherical and stereographic spherical sliced Wasserstein…

Simultaneous localization and mapping (SLAM) is critical to the implementation of autonomous driving. Most LiDAR-inertial SLAM algorithms assume a static environment, leading to unreliable localization in dynamic environments. Moreover, the…

Robotics · Computer Science 2024-10-28 Zhongyang Zhu , Junqiao Zhao , Kai Huang , Xuebo Tian , Jiaye Lin , Chen Ye

Optimal Transport (OT) theory has seen an increasing amount of attention from the computer science community due to its potency and relevance in modeling and machine learning. It introduces means that serve as powerful ways to compare…

Machine Learning · Computer Science 2021-06-04 Luis Caicedo Torres , Luiz Manella Pereira , M. Hadi Amini

Optimal transport (OT) barycenters are a mathematically grounded way of averaging probability distributions while capturing their geometric properties. In short, the barycenter task is to take the average of a collection of probability…

In machine learning and computer graphics, a fundamental task is the approximation of a probability density function through a well-dispersed collection of samples. Providing a formal metric for measuring the distance between probability…

Graphics · Computer Science 2024-02-28 Baptiste Genest , Nicolas Courty , David Coeurjolly

With the widespread application of optimal transport (OT), its calculation becomes essential, and various algorithms have emerged. However, the existing methods either have low efficiency or cannot represent discontinuous maps. A novel…

Computer Vision and Pattern Recognition · Computer Science 2023-11-14 Zezeng Li , Shenghao Li , Lianbao Jin , Na Lei , Zhongxuan Luo

Single-particle cryo-electron microscopy (cryo-EM) reconstructs the three-dimensional (3D) structure of bio-molecules from a large set of 2D projection images with random and unknown orientations. A crucial step in the single-particle…

Image and Video Processing · Electrical Eng. & Systems 2020-06-24 Mona Zehni , Laurène Donati , Emmanuel Soubies , Zhizhen J. Zhao , Michael Unser

Optimal Transport (OT) based distances are powerful tools for machine learning to compare probability measures and manipulate them using OT maps. In this field, a setting of interest is semi-discrete OT, where the source measure $\mu$ is…

The calculation of electron density distribution using density functional theory (DFT) in materials and molecules is central to the study of their quantum and macro-scale properties, yet accurate and efficient calculation remains a…

Computational Physics · Physics 2024-05-15 Teddy Koker , Keegan Quigley , Eric Taw , Kevin Tibbetts , Lin Li

We introduce ICE-TIDE, a method for cryogenic electron tomography (cryo-ET) that simultaneously aligns observations and reconstructs a high-resolution volume. The alignment of tilt series in cryo-ET is a major problem limiting the…

Image and Video Processing · Electrical Eng. & Systems 2024-12-16 Valentin Debarnot , Vinith Kishore , Ricardo D. Righetto , Ivan Dokmanić

Quantifying differences between flow fields is a key challenge in fluid mechanics, particularly when evaluating the effectiveness of flow control. Traditional vector metrics, such as the Euclidean distance, provide straightforward pointwise…

Fluid Dynamics · Physics 2025-11-12 Jonathan Quang Tran , Chi-An Yeh , Kunihiko Taira

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

We present a geometry-aware method for heterogeneous single-particle cryogenic electron microscopy (cryo-EM) reconstruction that predicts atomic backbone conformations. To incorporate protein-structure priors, we represent the backbone as a…

Computer Vision and Pattern Recognition · Computer Science 2026-03-09 Jonathan Krook , Axel Janson , Joakim Andén , Melanie Weber , Ozan Öktem

This paper describes a novel paradigm that formalizes automatic piano transcription (APT) as an optimal transport (OT) problem, not as a frame-level multi-label binary classification problem. Our method learns to minimize the cost of…

Sound · Computer Science 2026-05-19 Weixing Wei , Raynaldi Lalang , Dichucheng Li , Kazuyoshi Yoshii

Electron cryomicroscopy (cryo-EM) is an imaging technique widely used in structural biology to determine the three-dimensional structure of biological molecules from noisy two-dimensional projections with unknown orientations. As the…

Numerical Analysis · Mathematics 2025-06-26 Bogdan Toader , Marcus A. Brubaker , Roy R. Lederman