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We introduce new Gaussian Process (GP) high-order approximations to linear operations that are frequently used in various numerical methods. Our method employs the kernel-based GP regression modeling, a non-parametric Bayesian approach to…

Computational Physics · Physics 2025-06-09 Christopher DeGrendele , Dongwook Lee

Simulation of surface processes is a key part of computational chemistry that offers atomic-scale insights into mechanisms of heterogeneous catalysis, diffusion dynamics, as well as quantum tunneling phenomena. The most common theoretical…

Chemical Physics · Physics 2023-05-01 Wei Fang , Yu-Cheng Zhu , Yi-Han Cheng , Yi-Ping Hao , Jeremy O. Richardson

The Rapid Iterative FiTting (RIFT) parameter inference algorithm provides a simulation-based inference approach to efficient, highly-parallelized parameter inference for GW sources. Previous editions of RIFT have conservatively optimized…

Instrumentation and Methods for Astrophysics · Physics 2025-05-20 Katelyn J. Wagner , R. O'Shaughnessy , A. Yelikar , N. Manning , D. Fernando , J. Lange , V. Tiwari , A. Fernando , D. Williams

A Gaussian process (GP)-based methodology is proposed to emulate complex dynamical computer models (or simulators). The method relies on emulating the numerical flow map of the system over an initial (short) time step, where the flow map is…

Methodology · Statistics 2024-11-26 Hossein Mohammadi , Peter Challenor , Marc Goodfellow

Gaussian Process (GP) regression is a flexible modeling technique used to predict outputs and to capture uncertainty in the predictions. However, the GP regression process becomes computationally intensive when the training spatial dataset…

Computation · Statistics 2024-09-19 Juliette Mukangango , Amanda Muyskens , Benjamin W. Priest

Studying the impact of systematic effects, optimizing survey strategies, assessing tensions between different probes and exploring synergies of different data sets require a large number of simulated likelihood analyses, each of which cost…

Cosmology and Nongalactic Astrophysics · Physics 2022-12-07 Supranta S. Boruah , Tim Eifler , Vivian Miranda , Sai Krishanth P. M

We introduce an unsupervised clustering algorithm to improve training efficiency and accuracy in predicting energies using molecular-orbital-based machine learning (MOB-ML). This work determines clusters via the Gaussian mixture model (GMM)…

Chemical Physics · Physics 2023-03-28 Lixue Cheng , Jiace Sun , Thomas F. Miller

Accurate channel state information (CSI) is critical for current and next-generation multi-antenna systems. Yet conventional pilot-based estimators incur prohibitive overhead as antenna counts grow. In this paper, we address this challenge…

Signal Processing · Electrical Eng. & Systems 2026-01-05 Syed Luqman Shah , Nurul Huda Mahmood , Italo Atzeni

Gaussian Process Regression (GPR) is widely used for inferring functions from noisy data. GPR crucially relies on the choice of a kernel, which might be specified in terms of a collection of hyperparameters that must be chosen or learned.…

Numerical Analysis · Mathematics 2025-06-16 P. Michael Kielstra , Michael Lindsey

Optimizing k-space sampling trajectories is a promising yet challenging topic for fast magnetic resonance imaging (MRI). This work proposes to optimize a reconstruction method and sampling trajectories jointly concerning image…

Signal Processing · Electrical Eng. & Systems 2022-04-15 Guanhua Wang , Tianrui Luo , Jon-Fredrik Nielsen , Douglas C. Noll , Jeffrey A. Fessler

Finite element model updating utilizing frequency response functions as inputs is an important procedure in structural analysis, design and control. This paper presents a highly efficient framework that is built upon Gaussian process…

Computational Engineering, Finance, and Science · Computer Science 2020-08-26 Kai Zhou , Jiong Tang

Efficient Reinforcement Learning usually takes advantage of demonstration or good exploration strategy. By applying posterior sampling in model-free RL under the hypothesis of GP, we propose Gaussian Process Posterior Sampling Reinforcement…

Machine Learning · Computer Science 2018-12-12 Ying Fan , Letian Chen , Yizhou Wang

Imitation learning is a powerful machine learning algorithm for a robot to acquire manipulation skills. Nevertheless, many real-world manipulation tasks involve precise and dexterous robot-object interactions, which make it difficult for…

Robotics · Computer Science 2024-07-23 Zhao-Heng Yin , Pieter Abbeel

We propose an unsupervised machine-learning checkpoint-restart (CR) algorithm for particle-in-cell (PIC) algorithms using Gaussian mixtures (GM). The algorithm features a particle compression stage and a particle reconstruction stage, where…

Computational Physics · Physics 2021-04-07 G. Chen , L. Chacon , T. B. Nguyen

The performance of Large Language Models (LLMs) is increasingly governed by data efficiency rather than raw scaling volume. However, existing selection methods often decouple global distribution balancing from local instance selection,…

Computation and Language · Computer Science 2026-03-03 Changhao Wang , Jiaolong Yang , Xinhao Yao , Yunfei Yu , Peng Jiao , Lu Yu , Junpeng Fang , Riccardo Cantoro , Qing Cui , Jun Zhou

Structural learning, a method to estimate the parameters for discrete energy minimization, has been proven to be effective in solving computer vision problems, especially in 3D scene parsing. As the complexity of the models increases,…

Computer Vision and Pattern Recognition · Computer Science 2017-01-13 Mengtian Li , Daniel Huber

We propose a framework for active mapping and exploration that leverages Gaussian splatting for constructing dense maps. Further, we develop a GPU-accelerated motion planning algorithm that can exploit the Gaussian map for real-time…

Robotics · Computer Science 2025-10-07 Yuezhan Tao , Dexter Ong , Varun Murali , Igor Spasojevic , Pratik Chaudhari , Vijay Kumar

In the context of ground robot navigation in unstructured hazardous environments, the coupling of efficient path planning with an adequate environment representation is a crucial topic in order to guarantee the robot safety while ensuring…

Robotics · Computer Science 2024-07-09 Quentin Serdel , Julien Marzat , Julien Moras

This paper presents a new variable selection approach integrated with Gaussian process (GP) regression. We consider a sparse projection of input variables and a general stationary covariance model that depends on the Euclidean distance…

Machine Learning · Computer Science 2020-08-26 Chiwoo Park , David J. Borth , Nicholas S. Wilson , Chad N. Hunter

We propose a method (TT-GP) for approximate inference in Gaussian Process (GP) models. We build on previous scalable GP research including stochastic variational inference based on inducing inputs, kernel interpolation, and structure…

Machine Learning · Computer Science 2018-01-18 Pavel Izmailov , Alexander Novikov , Dmitry Kropotov
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