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Stein variational gradient descent (SVGD) refers to a class of methods for Bayesian inference based on interacting particle systems. In this paper, we consider the originally proposed deterministic dynamics as well as a stochastic variant,…

Machine Learning · Statistics 2021-02-26 Nikolas Nüsken , D. R. Michiel Renger

Divergence is not only an important mathematical concept in information theory, but also applied to machine learning problems such as low-dimensional embedding, manifold learning, clustering, classification, and anomaly detection. We…

Computation · Statistics 2016-11-22 Kun Yang , Hao Su , Wing Hung Wong

Maximum Mean Discrepancy (MMD) has been widely used in the areas of machine learning and statistics to quantify the distance between two distributions in the $p$-dimensional Euclidean space. The asymptotic property of the sample MMD has…

Statistics Theory · Mathematics 2023-08-29 Hanjia Gao , Xiaofeng Shao

The boom of DL technology leads to massive DL models built and shared, which facilitates the acquisition and reuse of DL models. For a given task, we encounter multiple DL models available with the same functionality, which are considered…

Software Engineering · Computer Science 2021-03-10 Linghan Meng , Yanhui Li , Lin Chen , Zhi Wang , Di Wu , Yuming Zhou , Baowen Xu

In the high-throughput screening (HTS) campaigns, the Z'-factor and strictly standardized mean difference (SSMD) are commonly used to assess the quality of assays and to select hits. However, these measures are vulnerable to outliers and…

Applications · Statistics 2020-01-22 Seongyong Park , Shujaat Khan

Recently, Loizou et al. (2021), proposed and analyzed stochastic gradient descent (SGD) with stochastic Polyak stepsize (SPS). The proposed SPS comes with strong convergence guarantees and competitive performance; however, it has two main…

Optimization and Control · Mathematics 2024-02-20 Antonio Orvieto , Simon Lacoste-Julien , Nicolas Loizou

Stochastic Gradient Descent (SGD) is one of the many iterative optimization methods that are widely used in solving machine learning problems. These methods display valuable properties and attract researchers and industrial machine learning…

Machine Learning · Computer Science 2023-10-04 Farshed Abdukhakimov , Chulu Xiang , Dmitry Kamzolov , Martin Takáč

The selective frequency damping (SFD) method is an alternative to classical Newton's method to obtain unstable steady-state solutions of dynamical systems. However this method has two main limitations: it does not converge for arbitrary…

Fluid Dynamics · Physics 2015-10-28 Bastien E. Jordi , Colin J. Cotter , Spencer J. Sherwin

This paper introduces an approach for detecting differences in the first-order structures of spatial point patterns. The proposed approach leverages the kernel mean embedding in a novel way by introducing its approximate version tailored to…

Methodology · Statistics 2020-06-15 Raif M. Rustamov , James T. Klosowski

Stochastic gradient descent (SGD) is the main algorithm behind a large body of work in machine learning. In many cases, constraints are enforced via projections, leading to projected stochastic gradient algorithms. In recent years, a large…

Optimization and Control · Mathematics 2025-10-06 Yuping Zheng , Andrew Lamperski

An important task in computational statistics and machine learning is to approximate a posterior distribution $p(x)$ with an empirical measure supported on a set of representative points $\{x_i\}_{i=1}^n$. This paper focuses on methods…

Bayesian shrinkage methods have generated a lot of recent interest as tools for high-dimensional regression and model selection. These methods naturally facilitate tractable uncertainty quantification and incorporation of prior information.…

Methodology · Statistics 2017-04-21 Bala Rajaratnam , Doug Sparks , Kshitij Khare , Liyuan Zhang

We introduce $\textit{Stein transport}$, a novel methodology for Bayesian inference designed to efficiently push an ensemble of particles along a predefined curve of tempered probability distributions. The driving vector field is chosen…

Machine Learning · Statistics 2024-12-02 Nikolas Nüsken

This paper addresses the scalability problem of Bayesian deep neural networks. The performance of deep neural networks is undermined by the fact that these algorithms have poorly calibrated measures of uncertainty. This restricts their…

Machine Learning · Computer Science 2021-04-20 Sam Maksoud , Kun Zhao , Can Peng , Brian C. Lovell

Distances between probability distributions are a key component of many statistical machine learning tasks, from two-sample testing to generative modeling, among others. We introduce a novel distance between measures that compares them…

Machine Learning · Statistics 2025-07-09 Arturo Castellanos , Anna Korba , Pavlo Mozharovskyi , Hicham Janati

Stein importance sampling is a widely applicable technique based on kernelized Stein discrepancy, which corrects the output of approximate sampling algorithms by reweighting the empirical distribution of the samples. A general analysis of…

Statistics Theory · Mathematics 2021-09-14 Liam Hodgkinson , Robert Salomone , Fred Roosta

Existing example-based prediction explanation methods often bridge test and training data points through the model's parameters or latent representations. While these methods offer clues to the causes of model predictions, they often…

Machine Learning · Computer Science 2025-05-20 Mahtab Sarvmaili , Hassan Sajjad , Ga Wu

We study the problem of testing whether a symmetric $d \times d$ input matrix $A$ is symmetric positive semidefinite (PSD), or is $\epsilon$-far from the PSD cone, meaning that $\lambda_{\min}(A) \leq - \epsilon \|A\|_p$, where $\|A\|_p$ is…

Data Structures and Algorithms · Computer Science 2023-10-26 Deanna Needell , William Swartworth , David P. Woodruff

We propose a novel particle-based variational inference method designed to work with multimodal distributions. Our approach, referred to as Branched Stein Variational Gradient Descent (BSVGD), extends the classical Stein Variational…

Machine Learning · Computer Science 2025-07-18 Isaías Bañales , Arturo Jaramillo , Joshué Helí Ricalde-Guerrero

This paper studies the optimization of the KL functional on the Wasserstein space of probability measures, and develops a sampling framework based on Wasserstein gradient descent (WGD). We identify two important subclasses of the…

Computation · Statistics 2026-02-04 Van Chien Ta , Thi Mai Hong Chu , Minh-Ngoc Tran
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