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Analysis of molecular scale interactions and chemical structure offers an enormous opportunity to tune material properties for targeted applications. However, designing materials from molecular scale is a grand challenge owing to the…

Materials Science · Physics 2021-11-19 Praneeth S Ramesh , Tarak K Patra

In many modern applications, discretely-observed data may be naturally understood as a set of functions. Functional data often exhibit two confounded sources of variability: amplitude (y-axis) and phase (x-axis). The extraction of amplitude…

Methodology · Statistics 2025-05-22 Yoonji Kim , Oksana A. Chkrebtii , Sebastian A. Kurtek

We propose a new procedure named PASOA, for Bayesian experimental design, that performs sequential design optimization by simultaneously providing accurate estimates of successive posterior distributions for parameter inference. The…

Machine Learning · Statistics 2024-10-16 Jacopo Iollo , Christophe Heinkelé , Pierre Alliez , Florence Forbes

The Ramsey sequence is a canonical example of a quantum phase measurement for a spin qubit. In Ramsey measurements, the measurement efficiency can be optimized through careful selection of settings for the phase accumulation time setting,…

Quantum Physics · Physics 2021-10-27 Robert D. McMichael , Sergey Dushenko , Sean M. Blakley

Traditional accelerated life test plans are typically based on optimizing the C-optimality for minimizing the variance of an interested quantile of the lifetime distribution. The traditional methods rely on some specified planning values…

Applications · Statistics 2018-12-04 Lu Lu , I-Chen Lee , Yili Hong

Intuitive human-machine interfaces may be developed using pattern classification to estimate executed human motions from electromyogram (EMG) signals generated during muscle contraction. The continual use of EMG-based interfaces gradually…

Signal Processing · Electrical Eng. & Systems 2023-10-03 Seitaro Yoneda , Akira Furui

Regression is a fundamental prediction task common in data-centric engineering applications that involves learning mappings between continuous variables. In many engineering applications (e.g.\ structural health monitoring), feature-label…

Approximate Bayesian computation (ABC) using a sequential Monte Carlo method provides a comprehensive platform for parameter estimation, model selection and sensitivity analysis in differential equations. However, this method, like other…

Machine Learning · Statistics 2015-07-21 Sanmitra Ghosh , Srinandan Dasmahapatra , Koushik Maharatna

We study the problem of causal discovery through targeted interventions. Starting from few observational measurements, we follow a Bayesian active learning approach to perform those experiments which, in expectation with respect to the…

Machine Learning · Statistics 2019-10-10 Julius von Kügelgen , Paul K Rubenstein , Bernhard Schölkopf , Adrian Weller

Active learning has been studied extensively as a method for efficient data collection. Among the many approaches in literature, Expected Error Reduction (EER) (Roy and McCallum) has been shown to be an effective method for active learning:…

Machine Learning · Computer Science 2022-11-18 Stephen Mussmann , Julia Reisler , Daniel Tsai , Ehsan Mousavi , Shayne O'Brien , Moises Goldszmidt

Model-Based Diagnosis deals with the identification of the real cause of a system's malfunction based on a formal system model and observations of the system behavior. When a malfunction is detected, there is usually not enough information…

Artificial Intelligence · Computer Science 2017-11-16 Patrick Rodler , Wolfgang Schmid , Konstantin Schekotihin

We introduce a new framework for sample-efficient model evaluation that we call active testing. While approaches like active learning reduce the number of labels needed for model training, existing literature largely ignores the cost of…

Machine Learning · Statistics 2021-06-15 Jannik Kossen , Sebastian Farquhar , Yarin Gal , Tom Rainforth

Leveraging the wealth of unlabeled data produced in recent years provides great potential for improving supervised models. When the cost of acquiring labels is high, probabilistic active learning methods can be used to greedily select the…

Machine Learning · Statistics 2021-02-09 Robert Pinsler , Jonathan Gordon , Eric Nalisnick , José Miguel Hernández-Lobato

Optimal design for model training is a critical topic in machine learning. Active Learning aims at obtaining improved models by querying samples with maximum uncertainty according to the estimation model for artificially labeling; this has…

The unknown parameters of simulation models often need to be calibrated using observed data. When simulation models are expensive, calibration is usually carried out with an emulator. The effectiveness of the calibration process can be…

Computation · Statistics 2024-12-03 Özge Sürer , Stefan M. Wild

In drug discovery, highly automated high-throughput laboratories are used to screen a large number of compounds in search of effective drugs. These experiments are expensive, so one might hope to reduce their cost by only experimenting on a…

Machine Learning · Computer Science 2025-04-15 Ihor Neporozhnii , Julien Roy , Emmanuel Bengio , Jason Hartford

We consider optimal sensor placement for hyper-parameterized linear Bayesian inverse problems, where the hyper-parameter characterizes nonlinear flexibilities in the forward model, and is considered for a range of possible values. This…

Numerical Analysis · Mathematics 2020-11-24 Nicole Aretz-Nellesen , Peng Chen , Martin A. Grepl , Karen Veroy

This paper introduces methodology for performing Bayesian inference sequentially on a sequence of posteriors on spaces of different dimensions. We show how this may be achieved through the use of sequential Monte Carlo (SMC) samplers (Del…

Computation · Statistics 2020-06-02 Richard G Everitt , Richard Culliford , Felipe Medina-Aguayo , Daniel J Wilson

Optimal experimental design is a well studied field in applied science and engineering. Techniques for estimating such a design are commonly used within the framework of parameter estimation. Nonetheless, in recent years parameter…

Machine Learning · Statistics 2025-01-13 Md Shahriar Rahim Siddiqui , Arman Rahmim , Eldad Haber

Distance metric learning is an important component for many tasks, such as statistical classification and content-based image retrieval. Existing approaches for learning distance metrics from pairwise constraints typically suffer from two…

Machine Learning · Computer Science 2012-06-26 Liu Yang , Rong Jin , Rahul Sukthankar