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Computational molecular modeling and visualization has seen significant progress in recent years with sev- eral molecular modeling and visualization software systems in use today. Nevertheless the molecular biology community lacks…

Computational Engineering, Finance, and Science · Computer Science 2016-05-20 Muhibur Rasheed , Nathan Clement , Abhishek Bhowmick , Chandrajit Bajaj

Uncertainty quantification has been a core of the statistical machine learning, but its computational bottleneck has been a serious challenge for both Bayesians and frequentists. We propose a model-based framework in quantifying…

Machine Learning · Computer Science 2019-06-04 Minsuk Shin , Young Lee , Jun S. Liu

Optimizing Conditional Value-at-risk (CVaR) using policy gradient (a.k.a CVaR-PG) faces significant challenges of sample inefficiency. This inefficiency stems from the fact that it focuses on tail-end performance and overlooks many sampled…

Machine Learning · Computer Science 2026-02-06 Yudong Luo , Erick Delage

The statistical analysis of univariate quantiles is a well developed research topic. However, there is a need for research in multivariate quantiles. We construct bivariate (conditional) quantiles using the level curves of vine copula based…

Methodology · Statistics 2023-07-04 Marija Tepegjozova , Claudia Czado

We link conditional generative modelling to quantile regression. We propose a suitable loss function and derive minimax convergence rates for the associated risk under smoothness assumptions imposed on the conditional distribution. To…

Statistics Theory · Mathematics 2024-09-09 Johannes Schmidt-Hieber , Petr Zamolodtchikov

In this paper, we develop a quantile functional regression modeling framework that models the distribution of a set of common repeated observations from a subject through the quantile function, which is regressed on a set of covariates to…

Methodology · Statistics 2017-11-02 Hojin Yang , Veerabhadran Baladandayuthapani , Jeffrey S. Morris

In goal-reaching reinforcement learning (RL), the optimal value function has a particular geometry, called quasimetric structure. This paper introduces Quasimetric Reinforcement Learning (QRL), a new RL method that utilizes quasimetric…

Machine Learning · Computer Science 2023-11-28 Tongzhou Wang , Antonio Torralba , Phillip Isola , Amy Zhang

Quotient regularization models (QRMs) are a class of powerful regularization techniques that have gained considerable attention in recent years, due to their ability to handle complex and highly nonlinear data sets. However, the nonconvex…

Numerical Analysis · Mathematics 2023-08-09 Chao Wang , Jean-Francois Aujol , Guy Gilboa , Yifei Lou

This paper studies quantile regression with an endogenous regressor and measurement error in the dependent variable. Standard quantile regression estimators ignoring these two elements can induce substantial bias. We adopt a…

Econometrics · Economics 2026-05-21 Xuanjing Su

Vector quantization(VQ) is a lossy data compression technique from signal processing for which simple competitive learning is one standard method to quantize patterns from the input space. Extending competitive learning VQ to the domain of…

Computer Vision and Pattern Recognition · Computer Science 2010-01-07 Brijnesh J. Jain , Klaus Obermayer

This paper develops a novel spatial quantile function-on-scalar regression model, which studies the conditional spatial distribution of a high-dimensional functional response given scalar predictors. With the strength of both quantile…

Methodology · Statistics 2020-12-22 Zhengwu Zhang , Xiao Wang , Linglong Kong , Hongtu Zhu

Quantifying uncertainty of machine learning model predictions is essential for reliable decision-making, especially in safety-critical applications. Recently, uncertainty quantification (UQ) theory has advanced significantly, building on a…

Machine Learning · Computer Science 2025-10-01 Alexander Fishkov , Kajetan Schweighofer , Mykyta Ielanskyi , Nikita Kotelevskii , Mohsen Guizani , Maxim Panov

The standard asymmetric Laplace framework for Bayesian quantile regression (BQR) suffers from a fundamental decision-theoretic misalignment, yielding biased finite-sample estimates, and precludes gradient-based computation due to…

Methodology · Statistics 2026-01-14 Bingqi Liu , Kangqiang Li , Tianxiao Pang

We propose a novel, succinct, and effective approach for distribution prediction to quantify uncertainty in machine learning. It incorporates adaptively flexible distribution prediction of $\mathbb{P}(\mathbf{y}|\mathbf{X}=x)$ in regression…

Machine Learning · Computer Science 2023-06-21 Xing Yan , Yonghua Su , Wenxuan Ma

Conditional random field (CRF) is an important probabilistic machine learning model for labeling sequential data, which is widely utilized in natural language processing, bioinformatics and computer vision. However, training the CRF model…

Quantum Physics · Physics 2019-01-07 Yusen Wu , Chao-Hua Yu , Binbin Cai , Sujuan Qin , Fei Gao , Qiaoyan Wen

Implicit Quantile BART (IQ-BART) posits a non-parametric Bayesian model on the conditional quantile function, acting as a model over a conditional model for $Y$ given $X$. One of the key ingredients is augmenting the observed data…

Methodology · Statistics 2025-07-08 Sean O'Hagan , Veronika Ročková

This paper studies estimation in functional linear quantile regression in which the dependent variable is scalar while the covariate is a function, and the conditional quantile for each fixed quantile index is modeled as a linear functional…

Statistics Theory · Mathematics 2013-02-28 Kengo Kato

A quantile sheet is a global estimator for multiple quantile curves. A quantile sheet estimator is proposed to maintain the non-crossing properties for different quantiles. The proposed estimator utilizes SCOP: shape-constrained P-spline to…

Methodology · Statistics 2023-03-13 Zhuolin Song

Uncertainty quantification (UQ) is an important component of molecular property prediction, particularly for drug discovery applications where model predictions direct experimental design and where unanticipated imprecision wastes valuable…

Machine Learning · Computer Science 2020-05-21 Lior Hirschfeld , Kyle Swanson , Kevin Yang , Regina Barzilay , Connor W. Coley

Flexible estimation of multiple conditional quantiles is of interest in numerous applications, such as studying the effect of pregnancy-related factors on low and high birth weight. We propose a Bayesian non-parametric method to…

Methodology · Statistics 2021-10-22 Steven G. Xu , Brian J. Reich