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We propose a robust optimization approach for constructing confidence bands for stochastic processes using a finite number of simulated sample paths. Our approach can be used to quantify uncertainty in realizations of stochastic processes…

Optimization and Control · Mathematics 2025-08-13 Timothy Chan , Jangwon Park , Vahid Sarhangian

Nested simulation concerns estimating functionals of a conditional expectation via simulation. In this paper, we propose a new method based on kernel ridge regression to exploit the smoothness of the conditional expectation as a function of…

Methodology · Statistics 2023-10-12 Wenjia Wang , Yanyuan Wang , Xiaowei Zhang

Developing suitable approximate models for analyzing and simulating complex nonlinear systems is practically important. This paper aims at exploring the skill of a rich class of nonlinear stochastic models, known as the conditional Gaussian…

Numerical Analysis · Mathematics 2022-06-01 Nan Chen , Yingda Li , Honghu Liu

Simulating longitudinal data from specified marginal structural models is a crucial but challenging task for evaluating causal inference methods and informing study design. While data generation typically proceeds in a fully conditional…

Methodology · Statistics 2025-04-25 Xi Lin , Daniel de Vassimon Manela , Chase Mathis , Jens Magelund Tarp , Robin J. Evans

Coarse-graining (CG) of molecular simulations simplifies the particle representation by grouping selected atoms into pseudo-beads and drastically accelerates simulation. However, such CG procedure induces information losses, which makes…

Machine Learning · Computer Science 2022-06-20 Wujie Wang , Minkai Xu , Chen Cai , Benjamin Kurt Miller , Tess Smidt , Yusu Wang , Jian Tang , Rafael Gómez-Bombarelli

Generating simulated training data needed for constructing sufficiently accurate surrogate models to be used for efficient optimization or parameter identification can incur a huge computational effort in the offline phase. We consider a…

Numerical Analysis · Mathematics 2024-04-03 Phillip Semler , Martin Weiser

We develop a new method for generating prediction sets that combines the flexibility of conformal methods with an estimate of the conditional distribution $P_{Y \mid X}$. Existing methods, such as conformalized quantile regression and…

Machine Learning · Statistics 2024-10-10 Vincent Plassier , Alexander Fishkov , Mohsen Guizani , Maxim Panov , Eric Moulines

Datasets in the fields of climate and environment are often very large and irregularly spaced. To model such datasets, the widely used Gaussian process models in spatial statis- tics face tremendous challenges due to the prohibitive…

Methodology · Statistics 2016-05-31 Huang Huang , Ying Sun

Interpolating a skewed conditional spatial random field with missing data is cumbersome in the absence of Gaussianity assumptions. Maintaining spatial homogeneity and continuity around the observed random spatial point is also challenging,…

Methodology · Statistics 2022-05-27 Debjoy Thakur , Ishapathik Das , Shubhashree Chakravarty

These days we live in a world with a permanent electromagnetic field. This raises many questions about our health and the deployment of new equipment. The problem is that these fields remain difficult to visualize easily, which only some…

Signal Processing · Electrical Eng. & Systems 2022-03-04 Angesom Ataklity Tesfay , Laurent Clavier

Quantifying spatial and/or temporal associations in multivariate geolocated data of different types is achievable via spatial random effects in a Bayesian hierarchical model, but severe computational bottlenecks arise when spatial…

Methodology · Statistics 2024-04-02 Michele Peruzzi , David B. Dunson

In spatial statistics, a common objective is to predict values of a spatial process at unobserved locations by exploiting spatial dependence. Kriging provides the best linear unbiased predictor using covariance functions and is often…

Machine Learning · Statistics 2022-05-25 Wanfang Chen , Yuxiao Li , Brian J Reich , Ying Sun

The efficient calculation of rare-event kinetics in complex dynamical systems, such as the rate and pathways of ligand dissociation from a protein, is a generally unsolved problem. Markov state models can systematically integrate ensembles…

Chemical Physics · Physics 2016-02-03 Benjamin Trendelkamp-Schroer , Frank Noe

Cluster randomized trials (CRTs) offer a practical alternative for addressing logistical challenges and ensuring feasibility in community health, education, and prevention studies, even though randomized controlled trials are considered the…

Methodology · Statistics 2025-10-30 Jooyeon Lee , M. S. , Evan Kwiatkowski , Ph. D

In this paper, we investigate Gaussian process modeling with input location error, where the inputs are corrupted by noise. Here, the best linear unbiased predictor for two cases is considered, according to whether there is noise at the…

Statistics Theory · Mathematics 2021-03-02 Wenjia Wang , Xiaowei Yue , Benjamin Haaland , C. F. Jeff Wu

Simulation can evaluate a statistical method for properties such as Type I Error, FDR, or bias on a grid of hypothesized parameter values. But what about the gaps between the grid-points? Continuous Simulation Extension (CSE) is a…

Methodology · Statistics 2024-09-10 James Yang , T. Ben Thompson , Michael Sklar

The recent accelerated growth in the computing power has generated popularization of experimentation with dynamic computer models in various physical and engineering applications. Despite the extensive statistical research in computer…

Methodology · Statistics 2018-10-18 Ru Zhang , Chunfang Devon Lin , Pritam Ranjan

Estimating the probability of rare failure events is an essential step in the reliability assessment of engineering systems. Computing this failure probability for complex non-linear systems is challenging, and has recently spurred the…

Machine Learning · Computer Science 2022-02-10 P. -R. Wagner , S. Marelli , I. Papaioannou , D. Straub , B. Sudret

Active learning methods for emulating complex computer models that rely on stationary Gaussian processes tend to produce design points that uniformly fill the entire experimental region, which can be wasteful for functions which vary only…

Methodology · Statistics 2025-07-16 Shangkun Wang , V. Roshan Joseph

In geostatistical problems with massive sample size, Gaussian processes can be approximated using sparse directed acyclic graphs to achieve scalable $O(n)$ computational complexity. In these models, data at each location are typically…

Statistics Theory · Mathematics 2024-06-24 Yichen Zhu , Michele Peruzzi , Cheng Li , David B. Dunson