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Many machine learning problems can be expressed as the optimization of some cost functional over a parametric family of probability distributions. It is often beneficial to solve such optimization problems using natural gradient methods.…

Machine Learning · Statistics 2020-02-14 Michael Arbel , Arthur Gretton , Wuchen Li , Guido Montufar

In this paper, we propose a parallel and scalable approach for geodesic distance computation on triangle meshes. Our key observation is that the recovery of geodesic distance with the heat method from [Crane et al. 2013] can be reformulated…

Graphics · Computer Science 2019-08-02 Jiong Tao , Juyong Zhang , Bailin Deng , Zheng Fang , Yue Peng , Ying He

Diffusion and flow models have become the dominant paradigm for generative modeling on Riemannian manifolds, with successful applications in protein backbone generation and DNA sequence design. However, these methods require tens to…

Machine Learning · Computer Science 2026-05-04 Dongyeop Woo , Marta Skreta , Seonghyun Park , Kirill Neklyudov , Sungsoo Ahn

Performing exact Bayesian inference for complex models is computationally intractable. Markov chain Monte Carlo (MCMC) algorithms can provide reliable approximations of the posterior distribution but are expensive for large datasets and…

Computation · Statistics 2021-12-09 Maxime Vono , Daniel Paulin , Arnaud Doucet

Measuring the in-context computational effort of language models is a key challenge, as metrics like next-token loss fail to capture reasoning complexity. Prior methods based on latent state compressibility can be invasive and unstable. We…

Machine Learning · Computer Science 2025-12-30 Vincent Herrmann , Eric Alcaide , Michael Wand , Jürgen Schmidhuber

Graph generative models are a highly active branch of machine learning. Given the steady development of new models of ever-increasing complexity, it is necessary to provide a principled way to evaluate and compare them. In this paper, we…

Machine Learning · Computer Science 2022-03-21 Leslie O'Bray , Max Horn , Bastian Rieck , Karsten Borgwardt

In the context of kernel methods, the similarity between data points is encoded by the kernel function which is often defined thanks to the Euclidean distance, a common example being the squared exponential kernel. Recently, other distances…

Machine Learning · Computer Science 2020-02-06 Henri De Plaen , Michaël Fanuel , Johan A. K. Suykens

Given $M \geq 2$ distributions defined on a general measurable space, we introduce a nonparametric (kernel) measure of multi-sample dissimilarity (KMD) -- a parameter that quantifies the difference between the $M$ distributions. The…

Statistics Theory · Mathematics 2022-10-18 Zhen Huang , Bodhisattva Sen

Excellent variational approximations to Gaussian process posteriors have been developed which avoid the $\mathcal{O}\left(N^3\right)$ scaling with dataset size $N$. They reduce the computational cost to $\mathcal{O}\left(NM^2\right)$, with…

Machine Learning · Statistics 2019-09-05 David R. Burt , Carl E. Rasmussen , Mark van der Wilk

Optimal Transport has sparked vivid interest in recent years, in particular thanks to the Wasserstein distance, which provides a geometrically sensible and intuitive way of comparing probability measures. For computational reasons, the…

Machine Learning · Computer Science 2024-03-19 Eloi Tanguy

We study the convergence of gradient flow for the training of deep neural networks. If Residual Neural Networks are a popular example of very deep architectures, their training constitutes a challenging optimization problem due notably to…

Machine Learning · Computer Science 2025-07-22 Raphaël Barboni , Gabriel Peyré , François-Xavier Vialard

In this paper, we propose a novel numerical scheme to optimize the gradient flows for learning energy-based models (EBMs). From a perspective of physical simulation, we redefine the problem of approximating the gradient flow utilizing…

Computer Vision and Pattern Recognition · Computer Science 2023-05-01 Yang Wu , Pengxu Wei , Liang Lin

This paper presents a distance-based discriminative framework for learning with probability distributions. Instead of using kernel mean embeddings or generalized radial basis kernels, we introduce embeddings based on dissimilarity of…

Machine Learning · Computer Science 2018-11-16 Alain Rakotomamonjy , Abraham Traoré , Maxime Berar , Rémi Flamary , Nicolas Courty

Pairwise learning, an important domain within machine learning, addresses loss functions defined on pairs of training examples, including those in metric learning and AUC maximization. Acknowledging the quadratic growth in computation…

Machine Learning · Computer Science 2024-02-05 Hilal AlQuabeh , William de Vazelhes , Bin Gu

Multi-marginal optimal transport enables one to compare multiple probability measures, which increasingly finds application in multi-task learning problems. One practical limitation of multi-marginal transport is computational scalability…

In the process of training a generative model, it becomes essential to measure the discrepancy between two high-dimensional probability distributions: the generative distribution and the ground-truth distribution of the observed dataset.…

Machine Learning · Statistics 2023-12-07 Seunghwan An , Sungchul Hong , Jong-June Jeon

Gradient flows of the Kullback--Leibler (KL) divergence, such as the Fokker--Planck equation and Stein Variational Gradient Descent, evolve a distribution toward a target density known only up to a normalizing constant. We introduce new…

Machine Learning · Statistics 2026-02-09 Elias Hess-Childs , Dejan Slepčev , Lantian Xu

We present a framework for Nesterov's accelerated gradient flows in probability space to design efficient mean-field Markov chain Monte Carlo (MCMC) algorithms for Bayesian inverse problems. Here four examples of information metrics are…

Optimization and Control · Mathematics 2022-06-27 Yifei Wang , Wuchen Li

In $\mathbb R^d$, it is well-known that cumulants provide an alternative to moments that can achieve the same goals with numerous benefits such as lower variance estimators. In this paper we extend cumulants to reproducing kernel Hilbert…

Machine Learning · Statistics 2023-10-31 Patric Bonnier , Harald Oberhauser , Zoltán Szabó

Diffusion models and flow-based methods have shown impressive generative capability, especially for images, but their sampling is expensive because it requires many iterative updates. We introduce W-Flow, a framework for training a…

Machine Learning · Computer Science 2026-05-28 Jiaqi Han , Puheng Li , Qiushan Guo , Renyuan Xu , Stefano Ermon , Emmanuel J. Candès