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Accurate and efficient calculations of absorption spectra of molecules and materials are essential for the understanding and rational design of broad classes of systems. Solving the Bethe-Salpeter equation (BSE) for electron-hole pairs…

Materials Science · Physics 2021-02-18 Sijia S. Dong , Marco Govoni , Giulia Galli

Quality control in industrial processes is increasingly making use of prior scientific knowledge, often encoded in physical models that require numerical approximation. Statistical prediction, and subsequent optimization, is key to ensuring…

Other Statistics · Statistics 2018-10-23 Antony Overstall , David Woods , Kieran Martin

We present new multi-test Bayesian optimization models and algorithms for use in large scale material screening applications. Our screening problems are designed around two tests, one expensive and one cheap. This paper differs from other…

Machine Learning · Statistics 2020-09-14 James Hook , Calum Hand , Emma Whitfield

In this paper, we develop a Bayesian multiscale approach based on a multiscale finite element method. Because of scale disparity in many multiscale applications, computational models can not resolve all scales. Various subgrid models are…

Numerical Analysis · Mathematics 2017-02-13 Y. Efendiev , W. T. Leung , S. W. Cheung , N. Guha , V. H. Hoang , B. Mallick

A novel Bayesian framework is proposed, which explicitly relates the homography of one video frame to the next through an affine transformation while explicitly modelling keypoint uncertainty. The literature has previously used differential…

Computer Vision and Pattern Recognition · Computer Science 2024-05-08 Paul J. Claasen , J. P. de Villiers

Numerous statistics have been proposed for the measure of offensive ability in major league baseball. While some of these measures may offer moderate predictive power in certain situations, it is unclear which simple offensive metrics are…

Applications · Statistics 2021-07-21 Blakeley B. McShane , Alexander Braunstein , James Piette , Shane T. Jensen

The non-homogeneous Poisson process (NHPP) is a widely used measurement model that allows for an object to generate multiple measurements over time. However, it can be difficult to efficiently and reliably track multiple objects under this…

Signal Processing · Electrical Eng. & Systems 2024-04-25 Runze Gan , Qing Li , Simon Godsill

In this study, a framework for the multi-objective materials discovery based on Bayesian approaches is developed. The capabilities of the framework are demonstrated on an example case related to the discovery of precipitation strengthened…

Change-point models deal with ordered data sequences. Their primary goal is to infer the locations where an aspect of the data sequence changes. In this paper, we propose and implement a nonparametric Bayesian model for clustering…

Methodology · Statistics 2025-02-12 Ana Carolina da Cruz , Camila P. E. de Souza

Prior work has shown that multibiometric systems are vulnerable to presentation attacks, assuming that their matching score distribution is identical to that of genuine users, without fabricating any fake trait. We have recently shown that…

Computer Vision and Pattern Recognition · Computer Science 2016-09-07 Battista Biggio , Giorgio Fumera , Gian Luca Marcialis , Fabio Roli

The development of molecular diagnostic tools to achieve individualized medicine requires identifying predictive biomarkers associated with subgroups of individuals who might receive beneficial or harmful effects from different available…

Methodology · Statistics 2020-01-20 Shonosuke Sugasawa , Hisashi Noma

Shotgun proteomics is a high-throughput technology used to identify unknown proteins in a complex mixture. At the heart of this process is a prediction task, the spectrum identification problem, in which each fragmentation spectrum produced…

Computational Engineering, Finance, and Science · Computer Science 2012-10-19 Ajit P. Singh , John Halloran , Jeff A. Bilmes , Katrin Kirchoff , William S. Noble

Screening traditionally refers to the problem of detecting active inputs in the computer model. In this paper, we develop methodology that applies to screening, but the main focus is on detecting active inputs not in the computer model…

Computation · Statistics 2024-02-20 Pierre Barbillon , Anabel Forte , Rui Paulo

Forensic scientists are often criticised for the lack of quantitative support for the conclusions of their examinations. While scholars advocate for the use of a Bayes factor to quantify the weight of forensic evidence, it is often…

We develop a new sampling strategy that uses the hit-and-run algorithm within level sets of the target density. Our method can be applied to any quasi-concave density, which covers a broad class of models. Our sampler performs well in…

Computation · Statistics 2012-02-21 Dean Foster , Shane T. Jensen

The advent of next-generation sequencing-based spatially resolved transcriptomics (SRT) techniques has transformed genomic research by enabling high-throughput gene expression profiling while preserving spatial context. Identifying spatial…

Methodology · Statistics 2024-08-27 Bencong Zhu , Guanyu Hu , Xiaodan Fan , Qiwei Li

The identification of the dependent components in multiple data sets is a fundamental problem in many practical applications. The challenge in these applications is that often the data sets are high-dimensional with few observations or…

Methodology · Statistics 2023-06-02 Martin Gölz , Tanuj Hasija , Michael Muma , Abdelhak M. Zoubir

This paper proposes a novel semi-supervised method on object recognition. First, based on Boost Picking, a universal algorithm, Boost Picking Teaching (BPT), is proposed to train an effective binary-classifier just using a few labeled data…

Computer Vision and Pattern Recognition · Computer Science 2019-08-17 Fuqiang Liu , Fukun Bi , Liang Chen

Biclustering is a method for detecting homogeneous submatrices in a given observed matrix, and it is an effective tool for relational data analysis. Although there are many studies that estimate the underlying bicluster structure of a…

Methodology · Statistics 2021-07-16 Chihiro Watanabe , Taiji Suzuki

We present a novel subset scan method to detect if a probabilistic binary classifier has statistically significant bias -- over or under predicting the risk -- for some subgroup, and identify the characteristics of this subgroup. This form…

Machine Learning · Statistics 2017-07-05 Zhe Zhang , Daniel B. Neill