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Most scientific machine learning (SciML) applications of neural networks involve hundreds to thousands of parameters, and hence, uncertainty quantification for such models is plagued by the curse of dimensionality. Using physical…

Machine Learning · Computer Science 2024-07-02 Govinda Anantha Padmanabha , Jan Niklas Fuhg , Cosmin Safta , Reese E. Jones , Nikolaos Bouklas

The optimization with orthogonality has been shown useful in training deep neural networks (DNNs). To impose orthogonality on DNNs, both computational efficiency and stability are important. However, existing methods utilizing Riemannian…

Machine Learning · Computer Science 2022-07-12 Fanchen Bu , Dong Eui Chang

Bayesian inference has become an important tool to solve inverse problems and to quantify uncertainties in their solutions. Variational inference is a method that provides probabilistic, Bayesian solutions efficiently by using optimization.…

Geophysics · Physics 2025-10-15 Xin Zhang , Andrew Curtis

Covariance matrices have attracted attention for machine learning applications due to their capacity to capture interesting structure in the data. The main challenge is that one needs to take into account the particular geometry of the…

Machine Learning · Computer Science 2019-09-13 Daniel Brooks , Olivier Schwander , Frederic Barbaresco , Jean-Yves Schneider , Matthieu Cord

Multilevel Stein variational gradient descent is a method for particle-based variational inference that leverages hierarchies of surrogate target distributions with varying costs and fidelity to computationally speed up inference. The…

Numerical Analysis · Mathematics 2023-05-02 Terrence Alsup , Tucker Hartland , Benjamin Peherstorfer , Noemi Petra

In this paper, we dive into the reliability concerns of Integrated Gradients (IG), a prevalent feature attribution method for black-box deep learning models. We particularly address two predominant challenges associated with IG: the…

Machine Learning · Computer Science 2024-05-17 Eslam Zaher , Maciej Trzaskowski , Quan Nguyen , Fred Roosta

We study optimization over Riemannian embedded submanifolds, where the objective function is relatively smooth in the ambient Euclidean space. Such problems have broad applications but are still largely unexplored. We introduce two…

Optimization and Control · Mathematics 2025-08-08 Chang He , Jiaxiang Li , Bo Jiang , Shiqian Ma , Shuzhong Zhang

Euclidean representations distort data with intrinsic non-Euclidean structure. While Riemannian representation learning offers a solution by embedding data onto matching manifolds, it typically relies on an encoder to estimate densities on…

Machine Learning · Computer Science 2026-05-05 Andreas Bjerregaard , Søren Hauberg , Anders Krogh

Stochastic-gradient sampling methods are often used to perform Bayesian inference on neural networks. It has been observed that the methods in which notions of differential geometry are included tend to have better performances, with the…

Machine Learning · Computer Science 2024-04-02 Hanlin Yu , Marcelo Hartmann , Bernardo Williams , Arto Klami

Score-based generative models (SGMs) are a powerful class of generative models that exhibit remarkable empirical performance. Score-based generative modelling (SGM) consists of a ``noising'' stage, whereby a diffusion is used to gradually…

Machine Learning · Computer Science 2022-11-23 Valentin De Bortoli , Emile Mathieu , Michael Hutchinson , James Thornton , Yee Whye Teh , Arnaud Doucet

Bayesian inference problems require sampling or approximating high-dimensional probability distributions. The focus of this paper is on the recently introduced Stein variational gradient descent methodology, a class of algorithms that rely…

Machine Learning · Statistics 2023-02-14 A. Duncan , N. Nuesken , L. Szpruch

We consider the proximal gradient method on Riemannian manifolds for functions that are possibly not geodesically convex. Starting from the forward-backward-splitting, we define an intrinsic variant of the proximal gradient method that uses…

Optimization and Control · Mathematics 2025-06-12 Ronny Bergmann , Hajg Jasa , Paula John , Max Pfeffer

Stochastic gradient descent (SGD) provides a simple and efficient way to solve a broad range of machine learning problems. Here, we focus on distribution regression (DR), involving two stages of sampling: Firstly, we regress from…

Machine Learning · Statistics 2021-03-08 Nicole Mücke

Particle-based variational inference methods (ParVIs) such as Stein variational gradient descent (SVGD) update the particles based on the kernelized Wasserstein gradient flow for the Kullback-Leibler (KL) divergence. However, the design of…

Machine Learning · Statistics 2023-10-26 Ziheng Cheng , Shiyue Zhang , Longlin Yu , Cheng Zhang

Stochastic Gradient Descent (SGD) is a known stochastic iterative method popular for large-scale convex optimization problems due to its simple implementation and scalability. Some objectives, such as those found in complex-valued neural…

Machine Learning · Computer Science 2026-05-26 Natanael Alpay , Emeric Battaglia

We introduce Riemannian Integrated Gradients (RIG); an extension of Integrated Gradients (IG) to Riemannian manifolds. We demonstrate that RIG restricts to IG when the Riemannian manifold is Euclidean space. We show that feature attribution…

Machine Learning · Computer Science 2025-03-04 Federico Costanza , Lachlan Simpson

Adaptive stochastic gradient algorithms in the Euclidean space have attracted much attention lately. Such explorations on Riemannian manifolds, on the other hand, are relatively new, limited, and challenging. This is because of the…

Machine Learning · Computer Science 2019-07-01 Hiroyuki Kasai , Pratik Jawanpuria , Bamdev Mishra

Motivated by the problem of online canonical correlation analysis, we propose the \emph{Stochastic Scaled-Gradient Descent} (SSGD) algorithm for minimizing the expectation of a stochastic function over a generic Riemannian manifold. SSGD…

Machine Learning · Statistics 2022-01-25 Chris Junchi Li , Michael I. Jordan

We study first-order optimization algorithms for computing the barycenter of Gaussian distributions with respect to the optimal transport metric. Although the objective is geodesically non-convex, Riemannian GD empirically converges…

Optimization and Control · Mathematics 2023-11-01 Jason M. Altschuler , Sinho Chewi , Patrik Gerber , Austin J. Stromme

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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