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Bayesian optimization (BO) is widely used for autonomous materials discovery, yet its classical sequential formulation is insufficient for design of experimental workflows that often combine parallel or batch synthesis with inherently…

Materials Science · Physics 2026-02-10 Boris Slautin , Sergei Kalinin

This paper is concerned with a lesser-studied problem in the context of model-based, uncertainty quantification (UQ), that of optimization/design/control under uncertainty. The solution of such problems is hindered not only by the usual…

Computation · Statistics 2016-02-17 Phaedon-Stelios Koutsourelakis

Optimal experimental design (OED) provides a systematic approach to quantify and maximize the value of experimental data. Under a Bayesian approach, conventional OED maximizes the expected information gain (EIG) on model parameters.…

Computation · Statistics 2026-04-08 Shijie Zhong , Wanggang Shen , Tommie Catanach , Xun Huan

The recognition network in deep latent variable models such as variational autoencoders (VAEs) relies on amortized inference for efficient posterior approximation that can scale up to large datasets. However, this technique has also been…

Machine Learning · Statistics 2019-02-28 Rui Shu , Hung H. Bui , Jay Whang , Stefano Ermon

Visual perception in modern Vision-Language Models (VLMs) is constrained by a perceptual bandwidth bottleneck: a broad field of view preserves global context but sacrifices the fine-grained details required for complex reasoning. We argue…

Computer Vision and Pattern Recognition · Computer Science 2026-05-12 Anjie Liu , Ziqin Gong , Yan Song , Yuxiang Chen , Xiaolong Liu , Hengtong Lu , Kaike Zhang , Chen Wei , Jun Wang

The ability to design effective experiments is crucial for obtaining data that can substantially reduce the uncertainty in the predictions made using computational models. An optimal experimental design (OED) refers to the choice of a…

Methodology · Statistics 2025-06-17 Troy Butler , John Jakeman , Michael Pilosov , Scott Walsh , Timothy Wildey

Bayesian experimental design (BED) is a framework that uses statistical models and decision making under uncertainty to optimise the cost and performance of a scientific experiment. Sequential BED, as opposed to static BED, considers the…

Machine Learning · Statistics 2020-03-23 Steven Kleinegesse , Christopher Drovandi , Michael U. Gutmann

The Design of Experiments (DOEs) is a fundamental scientific methodology that provides researchers with systematic principles and techniques to enhance the validity, reliability, and efficiency of experimental outcomes. In this study, we…

Machine Learning · Statistics 2025-07-22 Miao Huang , Hongqiao Wang , Kunyu Wu

Sequential Bayesian inference over predictive functions is a natural framework for continual learning from streams of data. However, applying it to neural networks has proved challenging in practice. Addressing the drawbacks of existing…

Machine Learning · Statistics 2023-12-29 Tim G. J. Rudner , Freddie Bickford Smith , Qixuan Feng , Yee Whye Teh , Yarin Gal

Microscopy techniques generate vast amounts of complex image data that in principle can be used to discover simpler, interpretable, and parsimonious forms to reveal the underlying physical structures, such as elementary building blocks in…

We consider optimal experimental design (OED) for nonlinear inverse problems within the Bayesian framework. Optimizing the data acquisition process for large-scale nonlinear Bayesian inverse problems is a computationally challenging task…

Numerical Analysis · Mathematics 2024-05-14 Karina Koval , Ruanui Nicholson

We address the problem of optimal experimental design (OED) for Bayesian nonlinear inverse problems governed by PDEs. The goal is to find a placement of sensors, at which experimental data are collected, so as to minimize the uncertainty in…

Optimization and Control · Mathematics 2015-11-04 Alen Alexanderian , Noemi Petra , Georg Stadler , Omar Ghattas

The Bayes factor, the data-based updating factor from prior to posterior odds, is a principled measure of relative evidence for two competing hypotheses. It is naturally suited to sequential data analysis in settings such as clinical trials…

Methodology · Statistics 2026-01-07 Samuel Pawel , Leonhard Held

Effective exploration is critical for reinforcement learning agents in environments with sparse rewards or high-dimensional state-action spaces. Recent works based on state-visitation counts, curiosity and entropy-maximization generate…

Machine Learning · Computer Science 2022-09-13 Bang You , Jingming Xie , Youping Chen , Jan Peters , Oleg Arenz

In this paper, we revisit variational intrinsic control (VIC), an unsupervised reinforcement learning method for finding the largest set of intrinsic options available to an agent. In the original work by Gregor et al. (2016), two VIC…

Machine Learning · Computer Science 2021-03-18 Taehwan Kwon

Experimental design has emerged as a powerful approach for improving the sample efficiency of A/B testing, yet existing designs rely critically on correctly specified models. We study robust sequential experimental design under model…

Machine Learning · Statistics 2026-05-14 Qianglin Wen , Xiangkun Wu , Chengchun Shi , Ting Li , Niansheng Tang , Yingying Zhang , Hongtu Zhu

Sequential experimental design to discover interventions that achieve a desired outcome is a key problem in various domains including science, engineering and public policy. When the space of possible interventions is large, making an…

Machine Learning · Computer Science 2023-08-17 Jiaqi Zhang , Louis Cammarata , Chandler Squires , Themistoklis P. Sapsis , Caroline Uhler

One of the well-known challenges in optimal experimental design is how to efficiently estimate the nested integrations of the expected information gain. The Gaussian approximation and associated importance sampling have been shown to be…

Computation · Statistics 2021-08-17 Quan Long

We consider the problem of sequentially making decisions that are rewarded by "successes" and "failures" which can be predicted through an unknown relationship that depends on a partially controllable vector of attributes for each instance.…

Machine Learning · Statistics 2017-09-18 Yingfei Wang , Chu Wang , Warren Powell

We show that variational learning naturally induces an adaptive label smoothing where label noise is specialized for each example. Such label-smoothing is useful to handle examples with labeling errors and distribution shifts, but designing…

Machine Learning · Computer Science 2025-03-05 Sin-Han Yang , Zhedong Liu , Gian Maria Marconi , Mohammad Emtiyaz Khan
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