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Robust optimization safeguards decisions against uncertainty by optimizing against worst-case scenarios, yet their effectiveness hinges on a prespecified robustness level that is often chosen ad hoc, leading to either insufficient…

Machine Learning · Statistics 2026-02-02 Wenbin Zhou , Shixiang Zhu

Optimal design is a critical yet challenging task within many applications. This challenge arises from the need for extensive trial and error, often done through simulations or running field experiments. Fortunately, sequential optimal…

Machine Learning · Computer Science 2025-03-25 Xubo Yue , Raed Al Kontar , Albert S. Berahas , Yang Liu , Blake N. Johnson

Bayesian optimal experiments that maximize the information gained from collected data are critical to efficiently identify behavioral models. We extend a seminal method for designing Bayesian optimal experiments by introducing two…

Applications · Statistics 2025-03-19 Stefano Balietti , Brennan Klein , Christoph Riedl

An important issue in additive manufacturing is the reliability and reproducibility of parts. One major problem in achieving this are uncontrolled local variations in the obtained material properties which arise in the complex manufacturing…

Optimization and Control · Mathematics 2017-07-18 Jannis Greifenstein , Michael Stingl

We propose a new method for multivariate response regression and covariance estimation when elements of the response vector are of mixed types, for example some continuous and some discrete. Our method is based on a model which assumes the…

Methodology · Statistics 2022-03-04 Karl Oskar Ekvall , Aaron J. Molstad

Breakthroughs in aerodynamic optimization have made it possible to develop efficient modes of transport with lesser exploitation of valuable resources. This makes it crucial for technical professionals such as engineers and scientists to…

Fluid Dynamics · Physics 2023-11-09 Paras Singh , Harshit Gupta , Ojas Vinayak , Aryan Tyagi

Combined-resolution simulations are an effective way to study molecular properties across a range of length- and time-scales. These simulations can benefit from adaptive boundaries that allow the high-resolution region to adapt (change size…

Computational Physics · Physics 2018-05-09 Jason A. Wagoner , Vijay S. Pande

Superomniphobic textures are at the frontier of surface design for vast arrays of applications. Despite recent significant advances in fabrication methods for reentrant and doubly reentrant microstructures, design optimisation remains a…

Soft Condensed Matter · Physics 2019-10-16 Jack Panter , Yonas Gizaw , Halim Kusumaatmaja

At the initial design stage engineers often rely on low-fidelity models that have high epistemic uncertainty. Traditional safety-margin-based deterministic design resorts to testing (e.g. prototype experiment, evaluation of high-fidelity…

Adaptive designs are increasingly used in clinical trials and online experiments to improve participant outcomes by dynamically updating treatment allocation as data accumulate. In practice, experimenters often consider multiple candidate…

Methodology · Statistics 2026-04-08 Wenxin Zhang , Aaron Hudson , Maya Petersen , Mark van der Laan

Reliability-based design optimization (RBDO) approaches aim to identify the best design of an engineering problem, whilst the probability of failure (PoF) remains below an acceptable value. Thus, the incorporation of the sharpest bounds on…

Computational Engineering, Finance, and Science · Computer Science 2025-03-18 Niklas Miska , Daniel Balzani

The analysis of screening experiments is often done in two stages, starting with factor selection via an analysis under a main effects model. The success of this first stage is influenced by three components: (1) main effect estimators'…

Methodology · Statistics 2024-03-19 Jonathan W. Stallrich , Michael McKibben

In many fairness and distribution robustness problems, one has access to labeled data from multiple source distributions yet the test data may come from an arbitrary member or a mixture of them. We study the problem of constructing a…

Machine Learning · Computer Science 2026-01-07 Yuqi Yang , Ying Jin

Experimental design is a classical statistics problem and its aim is to estimate an unknown $m$-dimensional vector $\beta$ from linear measurements where a Gaussian noise is introduced in each measurement. For the combinatorial experimental…

Machine Learning · Statistics 2024-12-06 Mohit Singh , Weijun Xie

This article describes posterior maximization for topic models, identifying computational and conceptual gains from inference under a non-standard parametrization. We then show that fitted parameters can be used as the basis for a novel…

Applications · Statistics 2011-12-30 Matthew A. Taddy

Changepoint detection is commonly formulated by minimizing the sum of in-sample losses to quantify the model's overall fit. However, for flexible modeling procedures -- especially those involving high-dimensional parameter spaces or…

Methodology · Statistics 2026-05-05 Chengde Qian , Guanghui Wang , Zhaojun Wang , Changliang Zou

Generative models coupled with reinforcement learning (RL), such as REINVENT and PepINVENT, have emerged as a powerful framework for de novo molecular design. During the ideation process these generative frameworks utilize various…

Artificial Intelligence · Computer Science 2026-05-08 Laura van Weesep , Sunay Chankeshwara , Leonardo De Maria , Florian David , Ola Engkvist , Gökçe Geylan

We consider an experiment with two qualitative factors at 2 levels each and a binary response, that follows a generalized linear model. In Mandal, Yang and Majumdar (2010) we obtained basic results and characterizations of locally D-optimal…

Methodology · Statistics 2015-03-17 Jie Yang , Abhyuday Mandal , Dibyen Majumdar

Optimal experimental design (OED) is the general formalism of sensor placement and decisions about the data collection strategy for engineered or natural experiments. This approach is prevalent in many critical fields such as battery…

Optimization and Control · Mathematics 2022-06-28 Ahmed Attia , Emil Constantinescu

Under a nonlinear regression model with univariate response an algorithm for the generation of sequential adaptive designs is studied. At each stage, the current design is augmented by adding $p$ design points where $p$ is the dimension of…

Statistics Theory · Mathematics 2023-07-06 Fritjof Freise , Norbert Gaffke , Rainer Schwabe