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Density matrix embedding theory (DMET) is a powerful quantum embedding method for solving strongly correlated quantum systems. Theoretically, the performance of a quantum embedding method should be limited by the computational cost of the…

Computational Physics · Physics 2020-08-19 Xiaojie Wu , Michael Lindsey , Tiangang Zhou , Yu Tong , Lin Lin

Generative models and those with computationally intractable likelihoods are widely used to describe complex systems in the natural sciences, social sciences, and engineering. Fitting these models to data requires likelihood-free inference…

Methodology · Statistics 2025-12-04 Rui Zhang , Oksana A. Chkrebtii , Dongbin Xiu

The quest for a formula that satisfactorily measures the effective degrees of freedom in kernel density estimation (KDE) is a long standing problem with few solutions. Starting from the orthogonal polynomial sequence (OPS) expansion for the…

Methodology · Statistics 2025-03-25 Sofia Guglielmini , Igor Volobouev , Alexandre Trindade

Modal regression estimates the local modes of the distribution of $Y$ given $X=x$, instead of the mean, as in the usual regression sense, and can hence reveal important structure missed by usual regression methods. We study a simple…

Methodology · Statistics 2016-03-31 Yen-Chi Chen , Christopher R. Genovese , Ryan J. Tibshirani , Larry Wasserman

We propose the periodic scaled Korobov kernel (PSKK) method for nonparametric density estimation on $\mathbb{R}^d$. By first wrapping the target density into a periodic version through modulo operation and subsequently applying kernel ridge…

Statistics Theory · Mathematics 2025-12-23 Ziyang Ye , Haoyuan Tan , Xiaoqun Wang , Zhijian He

We present ScaleFree, a GPU-accelerated adaptive Kernel Density Estimation (KDE) algorithm for scalable, interactive multiscale point cloud exploration. With this technique, we cater to the massive datasets and complex multiscale structures…

Human-Computer Interaction · Computer Science 2026-02-02 Lixiang Zhao , Fuqi Xie , Tobias Isenberg , Hai-Ning Liang , Lingyun Yu

We study the construction of coresets for kernel density estimates. That is we show how to approximate the kernel density estimate described by a large point set with another kernel density estimate with a much smaller point set. For…

Machine Learning · Computer Science 2017-10-13 Jeff M. Phillips , Wai Ming Tai

Selecting an appropriate kernel is a central challenge in kernel-based spectral methods. In \emph{Kernelized Diffusion Maps} (KDM), the kernel determines the accuracy of the RKHS estimator of a diffusion-type operator and hence the quality…

Machine Learning · Statistics 2026-04-21 Othmane Aboussaad , Adam Miraoui , Boumediene Hamzi , Houman Owhadi

Large-scale agent systems have foreseeable applications in the near future. Estimating their macroscopic density is critical for many density-based optimization and control tasks, such as sensor deployment and city traffic scheduling. In…

Systems and Control · Electrical Eng. & Systems 2020-07-06 Tongjia Zheng , Qing Han , Hai Lin

Kernel matrices, as well as weighted graphs represented by them, are ubiquitous objects in machine learning, statistics and other related fields. The main drawback of using kernel methods (learning and inference using kernel matrices) is…

Machine Learning · Computer Science 2022-12-02 Ainesh Bakshi , Piotr Indyk , Praneeth Kacham , Sandeep Silwal , Samson Zhou

Kernel methods offer the flexibility to learn complex relationships in modern, large data sets while enjoying strong theoretical guarantees on quality. Unfortunately, these methods typically require cubic running time in the data set size,…

Machine Learning · Statistics 2019-03-01 Raj Agrawal , Trevor Campbell , Jonathan H. Huggins , Tamara Broderick

We introduce a new class of multilevel, adaptive, dual-space methods for computing fast convolutional transforms. These methods can be applied to a broad class of kernels, from the Green's functions for classical partial differential…

Numerical Analysis · Mathematics 2023-09-12 Shidong Jiang , Leslie Greengard

Developing efficient numerical algorithms for the solution of high dimensional random Partial Differential Equations (PDEs) has been a challenging task due to the well-known curse of dimensionality. We present a new solution framework for…

Machine Learning · Computer Science 2019-10-17 Mohammad Amin Nabian , Hadi Meidani

The kernel polynomial method (KPM) is a powerful numerical method for approximating spectral densities. Typical implementations of the KPM require an a prior estimate for an interval containing the support of the target spectral density,…

Computational Physics · Physics 2023-09-19 Tyler Chen

Kernel power $k$-means (KPKM) leverages a family of means to mitigate local minima issues in kernel $k$-means. However, KPKM faces two key limitations: (1) the computational burden of the full kernel matrix restricts its use on extensive…

Machine Learning · Computer Science 2025-11-14 Yixi Chen , Weixuan Liang , Tianrui Liu , Jun-Jie Huang , Ao Li , Xueling Zhu , Xinwang Liu

When analyzing modern machine learning algorithms, we may need to handle kernel density estimation (KDE) with intricate kernels that are not designed by the user and might even be irregular and asymmetric. To handle this emerging challenge,…

Statistics Theory · Mathematics 2021-06-09 Hau-Tieng Wu , Nan Wu

In this paper we prove large and moderate deviations principles for the recursive kernel estimators of a probability density function defined by the stochastic approximation algorithm introduced by Mokkadem et al. [2009. The stochastic…

Statistics Theory · Mathematics 2013-01-29 Yousri Slaoui

Kernel methods represent one of the most powerful tools in machine learning to tackle problems expressed in terms of function values and derivatives due to their capability to represent and model complex relations. While these methods show…

Statistics Theory · Mathematics 2015-11-06 Bharath K. Sriperumbudur , Zoltan Szabo

Conditional density estimation (CDE) is a fundamental task in machine learning that aims to model the full conditional law $\mathbb{P}(\mathbf{y} \mid \mathbf{x})$, beyond mere point prediction (e.g., mean, mode). A core challenge is…

Machine Learning · Computer Science 2026-03-27 Chenglong Song , Mazharul Islam , Lin Wang , Bing Chen , Bo Yang

Inferring parameters of high-dimensional partial differential equations (PDEs) poses significant computational and inferential challenges, primarily due to the curse of dimensionality and the inherent limitations of traditional numerical…

Computational Engineering, Finance, and Science · Computer Science 2025-09-18 Weihao Yan , Christoph Brune , Mengwu Guo