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Deep neural networks have amply demonstrated their prowess but estimating the reliability of their predictions remains challenging. Deep Ensembles are widely considered as being one of the best methods for generating uncertainty estimates…

Machine Learning · Computer Science 2021-06-28 Nikita Durasov , Timur Bagautdinov , Pierre Baque , Pascal Fua

Modern variational inference (VI) uses stochastic gradients to avoid intractable expectations, enabling large-scale probabilistic inference in complex models. VI posits a family of approximating distributions q and then finds the member of…

Machine Learning · Statistics 2021-02-24 Christian A. Naesseth , Fredrik Lindsten , David Blei

Phylogenetics is a classical methodology in computational biology that today has become highly relevant for medical investigation of single-cell data, e.g., in the context of cancer development. The exponential size of the tree space is,…

Populations and Evolution · Quantitative Biology 2023-01-25 Hazal Koptagel , Oskar Kviman , Harald Melin , Negar Safinianaini , Jens Lagergren

By providing a framework of accounting for the shared ancestry inherent to all life, phylogenetics is becoming the statistical foundation of biology. The importance of model choice continues to grow as phylogenetic models continue to…

Populations and Evolution · Quantitative Biology 2019-02-05 Jamie R. Oaks , Kerry A. Cobb , Vladimir N. Minin , Adam D. Leaché

We consider the problem of estimating probability density functions based on sample data, using a finite mixture of densities from some component class. To this end, we introduce the $h$-lifted Kullback--Leibler (KL) divergence as a…

Machine Learning · Statistics 2024-12-24 Mark Chiu Chong , Hien Duy Nguyen , TrungTin Nguyen

Ensembles improve prediction performance and allow uncertainty quantification by aggregating predictions from multiple models. In deep ensembling, the individual models are usually black box neural networks, or recently, partially…

Machine Learning · Statistics 2022-05-26 Lucas Kook , Andrea Götschi , Philipp FM Baumann , Torsten Hothorn , Beate Sick

Sparse stochastic variational inference allows Gaussian process models to be applied to large datasets. The per iteration computational cost of inference with this method is $\mathcal{O}(\tilde{N}M^2+M^3),$ where $\tilde{N}$ is the number…

Machine Learning · Statistics 2020-06-24 David R. Burt , Carl Edward Rasmussen , Mark van der Wilk

To achieve the highest perceptual quality, state-of-the-art diffusion models are optimized with objectives that typically look very different from the maximum likelihood and the Evidence Lower Bound (ELBO) objectives. In this work, we…

Machine Learning · Computer Science 2023-09-27 Diederik P. Kingma , Ruiqi Gao

Importance sampling has been known as a powerful tool to reduce the variance of Monte Carlo estimator for rare event simulation. Based on the criterion of minimizing the variance of Monte Carlo estimator within a parametric family, we…

Methodology · Statistics 2013-02-11 Cheng-Der Fuh , Huei-Wen Teng , Ren-Her Wang

When training large models on limited data, avoiding overfitting is paramount. Common grid search or smarter search methods rely on expensive separate runs for each candidate hyperparameter, while carving out a validation set that reduces…

Machine Learning · Computer Science 2026-04-02 Ethan Harvey , Mikhail Petrov , Michael C. Hughes

Matrix factorization (MF) has been widely applied to collaborative filtering in recommendation systems. Its Bayesian variants can derive posterior distributions of user and item embeddings, and are more robust to sparse ratings. However,…

Machine Learning · Computer Science 2022-08-23 Yuan Jin , He Zhao , Ming Liu , Ye Zhu , Lan Du , Longxiang Gao , He Zhang , Yunfeng Li

Variational Auto-Encoders (VAEs) have become very popular techniques to perform inference and learning in latent variable models as they allow us to leverage the rich representational power of neural networks to obtain flexible…

Machine Learning · Computer Science 2018-11-26 Anthony L. Caterini , Arnaud Doucet , Dino Sejdinovic

Importance Sampling methods are broadly used to approximate posterior distributions or some of their moments. In its standard approach, samples are drawn from a single proposal distribution and weighted properly. However, since the…

Computation · Statistics 2019-11-05 Víctor Elvira , Luca Martino , David Luengo , Mónica F. Bugallo

Given an intractable target density $p$, variational inference (VI) attempts to find the best approximation $q$ from a tractable family $Q$. This is typically done by minimizing the exclusive Kullback-Leibler divergence, $\text{KL}(q||p)$.…

Machine Learning · Statistics 2025-11-04 Charles C. Margossian , Lawrence K. Saul

Variational autoencoders (VAEs) are one of the powerful unsupervised learning frameworks in NLP for latent representation learning and latent-directed generation. The classic optimization goal of VAEs is to maximize the Evidence Lower Bound…

Machine Learning · Computer Science 2022-11-02 Jianfei Zhang , Jun Bai , Chenghua Lin , Yanmeng Wang , Wenge Rong

Standard variational lower bounds used to train latent variable models produce biased estimates of most quantities of interest. We introduce an unbiased estimator of the log marginal likelihood and its gradients for latent variable models…

Machine Learning · Computer Science 2020-07-14 Yucen Luo , Alex Beatson , Mohammad Norouzi , Jun Zhu , David Duvenaud , Ryan P. Adams , Ricky T. Q. Chen

The Mutual Information (MI) is an often used measure of dependency between two random variables utilized in information theory, statistics and machine learning. Recently several MI estimators have been proposed that can achieve parametric…

Information Theory · Computer Science 2018-11-26 Morteza Noshad , Yu Zeng , Alfred O. Hero

Mutual information (MI) is a fundamental quantity in information theory and machine learning. However, direct estimation of MI is intractable, even if the true joint probability density for the variables of interest is known, as it involves…

Machine Learning · Computer Science 2024-04-29 Rob Brekelmans , Sicong Huang , Marzyeh Ghassemi , Greg Ver Steeg , Roger Grosse , Alireza Makhzani

Probability density function estimation with weighted samples is the main foundation of all adaptive importance sampling algorithms. Classically, a target distribution is approximated either by a non-parametric model or within a parametric…

Machine Learning · Computer Science 2023-10-16 Julien Demange-Chryst , François Bachoc , Jérôme Morio , Timothé Krauth

Optimal data detection in massive multiple-input multiple-output (MIMO) systems often requires prohibitively high computational complexity. A variety of detection algorithms have been proposed in the literature, offering different…

Econometrics · Economics 2025-07-02 Yong Li , Sushanta K. Mallick , Tao Zeng , Junxing Zhang