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The Tanimoto coefficient is commonly used to measure the similarity between molecules represented as discrete fingerprints, either as a distance metric or a positive definite kernel. While many kernel methods can be accelerated using random…

Machine Learning · Computer Science 2023-11-15 Austin Tripp , Sergio Bacallado , Sukriti Singh , José Miguel Hernández-Lobato

Due to the growing adoption of deep neural networks in many fields of science and engineering, modeling and estimating their uncertainties has become of primary importance. Despite the growing literature about uncertainty quantification in…

Machine Learning · Computer Science 2023-02-15 Brian Staber , Sébastien Da Veiga

Machine learning applied to computer vision and signal processing is achieving results comparable to the human brain on specific tasks due to the great improvements brought by the deep neural networks (DNN). The majority of state-of-the-art…

Computer Vision and Pattern Recognition · Computer Science 2020-06-30 José Augusto Stuchi , Levy Boccato , Romis Attux

Recent theoretical studies illustrated that kernel ridgeless regression can guarantee good generalization ability without an explicit regularization. In this paper, we investigate the statistical properties of ridgeless regression with…

Machine Learning · Computer Science 2023-08-30 Jian Li , Yong Liu , Yingying Zhang

The method of random Fourier features (RFF), proposed in a seminal paper by Rahimi and Recht (NIPS'07), is a powerful technique to find approximate low-dimensional representations of points in (high-dimensional) kernel space, for…

Machine Learning · Computer Science 2023-04-14 Kuan Cheng , Shaofeng H. -C. Jiang , Luojian Wei , Zhide Wei

Computable Stein discrepancies have been deployed for a variety of applications, ranging from sampler selection in posterior inference to approximate Bayesian inference to goodness-of-fit testing. Existing convergence-determining Stein…

Machine Learning · Statistics 2021-10-12 Jonathan H. Huggins , Lester Mackey

Kernel approximation with exponentials is useful in many problems with convolution quadrature and particle interactions such as integral-differential equations, molecular dynamics and machine learning. This paper proposes a weighted…

Computational Physics · Physics 2025-05-07 Yuanshen Lin , Zhenli Xu , Yusu Zhang , Qi Zhou

Linear shrinkage estimators of a covariance matrix --- defined by a weighted average of the sample covariance matrix and a pre-specified shrinkage target matrix --- are popular when analysing high-throughput molecular data. However, their…

Methodology · Statistics 2018-09-24 Harry Gray , Gwenaël G. R. Leday , Catalina A. Vallejos , Sylvia Richardson

In dealing with high-dimensional data sets, factor models are often useful for dimension reduction. The estimation of factor models has been actively studied in various fields. In the first part of this paper, we present a new approach to…

Statistical Finance · Quantitative Finance 2017-11-27 Joongyeub Yeo , George Papanicolaou

This article characterizes the exact asymptotics of random Fourier feature (RFF) regression, in the realistic setting where the number of data samples $n$, their dimension $p$, and the dimension of feature space $N$ are all large and…

Machine Learning · Statistics 2022-01-11 Zhenyu Liao , Romain Couillet , Michael W. Mahoney

In this paper we estimate the mean-variance portfolio in the high-dimensional case using the recent results from the theory of random matrices. We construct a linear shrinkage estimator which is distribution-free and is optimal in the sense…

Statistical Finance · Quantitative Finance 2023-04-19 Taras Bodnar , Yarema Okhrin , Nestor Parolya

This paper addresses the problem of Monte Carlo approximation of posterior probability distributions. In particular, we have considered a recently proposed technique known as population Monte Carlo (PMC), which is based on an iterative…

Computation · Statistics 2016-06-03 Eugenia Koblents , Joaquín Míguez

Motivated by the proliferation of observational datasets and the need to integrate non-randomized evidence with randomized controlled trials, causal inference researchers have recently proposed several new methodologies for combining biased…

Methodology · Statistics 2023-09-14 Evan T. R. Rosenman , Francesca Dominici , Luke Miratrix

Approximate Markov chain Monte Carlo (MCMC) offers the promise of more rapid sampling at the cost of more biased inference. Since standard MCMC diagnostics fail to detect these biases, researchers have developed computable Stein discrepancy…

Machine Learning · Statistics 2020-10-16 Jackson Gorham , Lester Mackey

Many statistical applications require an estimate of a covariance matrix and/or its inverse. When the matrix dimension is large compared to the sample size, which happens frequently, the sample covariance matrix is known to perform poorly…

Statistics Theory · Mathematics 2012-07-24 Olivier Ledoit , Michael Wolf

We develop an approach for feature elimination in statistical learning with kernel machines, based on recursive elimination of features.We present theoretical properties of this method and show that it is uniformly consistent in finding the…

Machine Learning · Statistics 2015-12-29 Sayan Dasgupta , Yair Goldberg , Michael Kosorok

Rare event simulation and rare event probability estimation are important tasks within the analysis of systems subject to uncertainty and randomness. Simultaneously, accurately estimating rare event probabilities is an inherently difficult…

Methodology · Statistics 2024-07-18 Max Ehre , Iason Papaioannou , Daniel Straub

The generalization capacity of various machine learning models exhibits different phenomena in the under- and over-parameterized regimes. In this paper, we focus on regression models such as feature regression and kernel regression and…

Machine Learning · Computer Science 2022-03-14 Björn Engquist , Kui Ren , Yunan Yang

We show that in a common high-dimensional covariance model, the choice of loss function has a profound effect on optimal estimation. In an asymptotic framework based on the Spiked Covariance model and use of orthogonally invariant…

Statistics Theory · Mathematics 2017-06-06 David L. Donoho , Matan Gavish , Iain M. Johnstone

Random features (RFs) are a popular technique to scale up kernel methods in machine learning, replacing exact kernel evaluations with stochastic Monte Carlo estimates. They underpin models as diverse as efficient transformers (by…

Machine Learning · Statistics 2024-10-04 Isaac Reid , Stratis Markou , Krzysztof Choromanski , Richard E. Turner , Adrian Weller