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In this experience report, we apply deep active learning to the field of design optimization to reduce the number of computationally expensive numerical simulations. We are interested in optimizing the design of structural components, where…

Machine Learning · Computer Science 2024-03-21 Jens Decke , Christian Gruhl , Lukas Rauch , Bernhard Sick

The design space for inertial confinement fusion (ICF) experiments is vast and experiments are extremely expensive. Researchers rely heavily on computer simulations to explore the design space in search of high-performing implosions.…

Machine Learning · Computer Science 2021-05-19 K. D. Humbird , J. L. Peterson , J. Salmonson , B. K. Spears

Selective inference aims at providing valid inference after a data-driven selection of models or hypotheses. It is essential to avoid overconfident results and replicability issues. While significant advances have been made in this area for…

Methodology · Statistics 2025-03-14 Matteo D'Alessandro , Magne Thoresen

Simulation design is the choice of locations in parameter space at which simulations are to be run and is the first step in building an emulator capable of quickly providing estimates of simulation results for arbitrary locations in the…

Cosmology and Nongalactic Astrophysics · Physics 2015-03-13 Michael D. Schneider , Oskar Holm , Lloyd Knox

Network models are applied across many domains where data can be represented as a network. Two prominent paradigms for modeling networks are statistical models (probabilistic models for the observed network) and mechanistic models (models…

Methodology · Statistics 2019-06-20 Sixing Chen , Antonietta Mira , Jukka-Pekka Onnela

Computer experiments with quantitative and qualitative inputs are widely used to study many scientific and engineering processes. Much of the existing work has focused on design and modeling or process optimization for such experiments.…

Methodology · Statistics 2025-04-30 A. Shahrokhian , X. Deng , C. D. Lin , P. Ranjan , L. Xu

Bayesian experimental design (BED) provides a principled framework for optimizing data collection by choosing experiments that are maximally informative about unknown parameters. However, existing methods cannot deal with the joint…

Machine Learning · Statistics 2026-01-30 Sara Pérez-Vieites , Sahel Iqbal , Simo Särkkä , Dominik Baumann

Healthcare companies must submit pharmaceutical drugs or medical devices to regulatory bodies before marketing new technology. Regulatory bodies frequently require transparent and interpretable computational modelling to justify a new…

Applications · Statistics 2019-01-15 Simon Olofsson , Marc Peter Deisenroth , Ruth Misener

Comparing competing mathematical models of complex natural processes is a shared goal among many branches of science. The Bayesian probabilistic framework offers a principled way to perform model comparison and extract useful metrics for…

The real-world testing of decisions made using causal machine learning models is an essential prerequisite for their successful application. We focus on evaluating and improving contextual treatment assignment decisions: these are…

Machine Learning · Statistics 2022-07-13 Desi R. Ivanova , Joel Jennings , Cheng Zhang , Adam Foster

We present a framework for the efficient computation of optimal Bayesian decisions under intractable likelihoods, by learning a surrogate model for the expected utility (or its distribution) as a function of the action and data spaces. We…

Machine Learning · Statistics 2023-11-13 Justin Alsing , Thomas D. P. Edwards , Benjamin Wandelt

Bayesian experimental design (BED) is a principled framework for data-efficient design of sequential experiments. However, existing BED methods are unable to adapt to dynamic constraints inherent in real-world tasks due to budget…

Machine Learning · Statistics 2026-05-27 Yujia Guo , Daolang Huang , Xinyu Zhang , Sammie Katt , Samuel Kaski , Ayush Bharti

This paper describes methods for comparative evaluation of the interpretability of models of high dimensional time series data inferred by unsupervised machine learning algorithms. The time series data used in this investigation were logs…

Artificial Intelligence · Computer Science 2020-05-05 Nicholas Hoernle , Kobi Gal , Barbara Grosz , Leilah Lyons , Ada Ren , Andee Rubin

Experimental design is crucial for inference where limitations in the data collection procedure are present due to cost or other restrictions. Optimal experimental designs determine parameters that in some appropriate sense make the data…

Machine Learning · Statistics 2016-03-11 Panagiotis Tsilifis , Roger G. Ghanem , Paris Hajali

Bayesian experimental design involves the optimal allocation of resources in an experiment, with the aim of optimising cost and performance. For implicit models, where the likelihood is intractable but sampling from the model is possible,…

Machine Learning · Statistics 2019-02-26 Steven Kleinegesse , Michael Gutmann

The traditional user-centered design process can hardly keep up with the ever faster technical development and increasingly diverse user preferences. As a solution, we propose to augment the tried-and-tested approach of conducting user…

Human-Computer Interaction · Computer Science 2023-02-23 Florian Fischer , Arthur Fleig , Markus Klar , Viktorija Paneva , Jörg Müller

Concept-based models perform prediction using a set of concepts that are interpretable to stakeholders. However, such models often involve a fixed, large number of concepts, which may place a substantial cognitive load on stakeholders. We…

Human-Computer Interaction · Computer Science 2023-06-16 Matthew Barker , Katherine M. Collins , Krishnamurthy Dvijotham , Adrian Weller , Umang Bhatt

We review recent literature that proposes to adapt ideas from classical model based optimal design of experiments to problems of data selection of large datasets. Special attention is given to bias reduction and to protection against…

Methodology · Statistics 2018-12-03 Elena Pesce , Eva Riccomagno

Simulation plays a central role in scientific discovery. In many applications, the bottleneck is no longer running a simulator; it is choosing among large families of plausible simulators, each corresponding to different forward…

Analyzing interaction data provides an opportunity to learn about users, uncover their underlying goals, and create intelligent visualization systems. The first step for intelligent response in visualizations is to enable computers to infer…

Human-Computer Interaction · Computer Science 2020-10-19 Shayan Monadjemi , Roman Garnett , Alvitta Ottley