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Predicting quantum operator matrices such as Hamiltonian, overlap, and density matrices in the density functional theory (DFT) framework is crucial for material science. Current methods often focus on individual operators and struggle with…

Materials Science · Physics 2025-03-12 Zhanghao Zhouyin , Zixi Gan , MingKang Liu , Shishir Kumar Pandey , Linfeng Zhang , Qiangqiang Gu

We present a latent diffusion-based differentiable inversion method (LD-DIM) for PDE-constrained inverse problems involving high-dimensional spatially distributed coefficients. LD-DIM couples a pretrained latent diffusion prior with an…

Numerical Analysis · Mathematics 2025-12-30 Zihan Lin , QiZhi He

Simultaneous Localization and Mapping (SLAM) is an essential component of autonomous robotic applications and self-driving vehicles, enabling them to understand and operate in their environment. Many SLAM systems have been proposed in the…

Robotics · Computer Science 2025-01-14 Lorenzo Montano-Oliván , Julio A. Placed , Luis Montano , María T. Lázaro

With the approach of exascale computing era, particle-based models are becoming the focus of research due to their excellent scalability. We present a new code, Slurm, which implements the classic particle-in-cell algorithm for modeling…

Computational Physics · Physics 2018-12-05 Vyacheslav Olshevsky , Fabio Bacchini , Stefaan Poedts , Giovanni Lapenta

This letter presents a multi-scenario adaptable intelligent robot simulation platform based on LIDAR-inertial fusion, with three main features: (1 The platform includes an versatile robot model that can be freely controlled through manual…

Robotics · Computer Science 2024-07-22 Qiyan Li , Chang Wu , Yifei Yuan , Yuan You

Training specific deep learning models for particular tasks is common across various domains within seismology. However, this approach encounters two limitations: inadequate labeled data for certain tasks and limited generalization across…

Geophysics · Physics 2023-09-06 Xu Si , Xinming Wu , Hanlin Sheng , Jun Zhu , Zefeng Li

This article discusses a newly developed online manifold learning method, subspace iteration using reduced models (SIRM), for the dimensionality reduction of dynamical systems. This method may be viewed as subspace iteration combined with a…

Dynamical Systems · Mathematics 2014-07-24 Liqian Peng , Kamran Mohseni

Machine learning interatomic potentials (MLIPs) enable atomistic simulations with near ab initio accuracy at significantly reduced computational cost, but their broader adoption is often limited by fragmented tooling, limited scalability,…

We derive a parallel sampling algorithm for computational inverse problems that present an unknown linear forcing term and a vector of nonlinear parameters to be recovered. It is assumed that the data is noisy and that the linear part of…

Numerical Analysis · Mathematics 2022-03-24 Darko Volkov

In subsurface imaging, learning the mapping from velocity maps to seismic waveforms (forward problem) and waveforms to velocity (inverse problem) is important for several applications. While traditional techniques for solving forward and…

Machine Learning · Computer Science 2025-04-03 Naveen Gupta , Medha Sawhney , Arka Daw , Youzuo Lin , Anuj Karpatne

Deep learning provides a versatile suite of methods for extracting structured information from complex datasets, enabling deeper understanding of underlying fluid dynamic phenomena. The field of turbulence modeling, in particular, benefits…

Machine Learning · Computer Science 2025-07-31 Anuraj Maurya

The field of computer vision is undergoing a paradigm shift toward large-scale foundation model pre-training via self-supervised learning (SSL). Leveraging large volumes of unlabeled brain MRI data, such models can learn anatomical priors…

Image and Video Processing · Electrical Eng. & Systems 2026-01-15 Petros Koutsouvelis , Matej Gazda , Leroy Volmer , Sina Amirrajab , Kamil Barbierik , Branislav Setlak , Jakub Gazda , Peter Drotar

This paper introduces a novel deconvolution algorithm, shift-invariant multi-linearity (SIML), which significantly enhances the analysis of data from a comprehensive two-dimensional gas chromatograph coupled to a mass spectrometric detector…

Signal Processing · Electrical Eng. & Systems 2024-12-18 Paul-Albert Schneide , Michael Sorochan Armstrong , Neal Gallagher , Rasmus Bro

Global climate models (GCMs), typically run at ~100-km resolution, capture large-scale environmental conditions but cannot resolve convection and cloud processes at kilometer scales. Convection-permitting models offer higher-resolution…

Atmospheric and Oceanic Physics · Physics 2026-05-12 Hungjui Yu , Lander Ver Hoef , Kristen L. Rasmussen , Imme Ebert-Uphoff

Computer vision and machine learning tools offer an exciting new way for automatically analyzing and categorizing information from complex computer simulations. Here we design an ensemble machine learning framework that can independently…

Computer Vision and Pattern Recognition · Computer Science 2021-09-06 Maarja Bussov , Joonas Nättilä

Determining atomistic structures from characterization data is one of the most common yet intricate problems in materials science. Particularly in amorphous materials, proposing structures that balance realism and agreement with experiments…

Disordered Systems and Neural Networks · Physics 2026-03-25 Jiawei Guo , Daniel Schwalbe-Koda

Modeling the mechanics of fluid in complex scenes is vital to applications in design, graphics, and robotics. Learning-based methods provide fast and differentiable fluid simulators, however most prior work is unable to accurately model how…

Machine Learning · Computer Science 2023-09-12 Arjun Mani , Ishaan Preetam Chandratreya , Elliot Creager , Carl Vondrick , Richard Zemel

Simulating the time evolution of physical systems is pivotal in many scientific and engineering problems. An open challenge in simulating such systems is their multi-resolution dynamics: a small fraction of the system is extremely dynamic,…

Machine Learning · Computer Science 2023-05-03 Tailin Wu , Takashi Maruyama , Qingqing Zhao , Gordon Wetzstein , Jure Leskovec

This paper investigates non-intrusive Scientific Machine Learning (SciML) Reduced-Order Models (ROMs) for plasma turbulence simulations. In particular, we focus on Operator Inference (OpInf) to build low-cost physics-based ROMs from data…

Computational Physics · Physics 2024-11-20 Constantin Gahr , Ionut-Gabriel Farcas , Frank Jenko

Accurate characterization of quantum systems is essential for the development of quantum technologies, particularly in the noisy intermediate-scale quantum (NISQ) era. While traditional methods for Hamiltonian learning and noise…

Quantum Physics · Physics 2025-07-18 Gubio G. de Lima , Iann Cunha , Leonardo Kleber Castelano