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The theory of time-dependent quantum transport addresses the question: How do electrons flow through a junction under the influence of an external perturbation as time goes by? In this paper, we invert this question and search for a…

Mesoscale and Nanoscale Physics · Physics 2014-07-10 K. J. Pototzky , E. K. U. Gross

Likelihood-free Bayesian inference algorithms are popular methods for calibrating the parameters of complex, stochastic models, required when the likelihood of the observed data is intractable. These algorithms characteristically rely…

Computation · Statistics 2021-12-23 Thomas P Prescott , David J Warne , Ruth E Baker

Data-driven, machine learning (ML) models of atomistic interactions are often based on flexible and non-physical functions that can relate nuanced aspects of atomic arrangements into predictions of energies and forces. As a result, these…

Materials Science · Physics 2024-05-15 Bartosz Barzdajn , Christopher P. Race

Bayesian optimal experimental design is a principled framework for conducting experiments that leverages Bayesian inference to quantify how much information one can expect to gain from selecting a certain design. However, accurate Bayesian…

Machine Learning · Statistics 2025-11-12 Yasir Zubayr Barlas , Sabina J. Sloman , Samuel Kaski

We consider the problem of detecting multiple changepoints in large data sets. Our focus is on applications where the number of changepoints will increase as we collect more data: for example in genetics as we analyse larger regions of the…

Methodology · Statistics 2015-03-17 R. Killick , P. Fearnhead , I. A. Eckley

An important task of uncertainty quantification is to identify {the probability of} undesired events, in particular, system failures, caused by various sources of uncertainties. In this work we consider the construction of Gaussian…

Computation · Statistics 2016-04-20 Hongqiao Wang , Guang Lin , Jinglai Li

Bayesian optimal experimental design provides a principled framework for selecting experimental settings that maximize obtained information. In this work, we focus on estimating the expected information gain in the setting where the…

Machine Learning · Statistics 2025-10-02 Chuntao Chen , Tapio Helin , Nuutti Hyvönen , Yuya Suzuki

Variational algorithms are a promising paradigm for utilizing near-term quantum devices for modeling electronic states of molecular systems. However, previous bounds on the measurement time required have suggested that the application of…

Nowadays, the numerical models of real-world structures are more precise, more complex and, of course, more time-consuming. Despite the growth of a computational effort, the exploration of model behaviour remains a complex task. The…

Computational Engineering, Finance, and Science · Computer Science 2014-10-17 Eliska Janouchova , Anna Kucerova

Dose-finding trials for oncology studies are traditionally designed to assess safety in the early stages of drug development. With the rise of molecularly targeted therapies and immuno-oncology compounds, biomarker-driven approaches have…

Methodology · Statistics 2025-09-15 Xijin Chen , Pavel Mozgunov , Richard D. Baird , Thomas Jaki

This paper presents a new exact method to calculate worst-case parameter realizations in two-stage robust optimization problems with categorical or binary-valued uncertain data. Traditional exact algorithms for these problems, notably…

Optimization and Control · Mathematics 2022-01-19 Anirudh Subramanyam

The focus of this research is sensor applications including radar and sonar. Optimal sensing means achieving the best signal quality with the least time and energy cost, which allows processing more data. This paper presents novel work by…

Signal Processing · Electrical Eng. & Systems 2021-07-06 Abdulaziz M. Alqarni , Thomas G. Robertazzi

This paper formulates an input design approach for truncated infinite impulse response identification in the context of implicit model representations recently used as basis for data-driven simulation and control approaches. Precisely, the…

Systems and Control · Electrical Eng. & Systems 2021-04-13 Andrea Iannelli , Mingzhou Yin , Roy S. Smith

Sequential design is a highly active field of research in active learning which provides a general framework for designing computer experiments with limited computational budgets. It aims to create efficient surrogate models to replace…

Methodology · Statistics 2025-01-03 Paul Lartaud , Philippe Humbert , Josselin Garnier

Big data is ubiquitous in practices, and it has also led to heavy computation burden. To reduce the calculation cost and ensure the effectiveness of parameter estimators, an optimal subset sampling method is proposed to estimate the…

Methodology · Statistics 2023-11-16 Haohui Han , Liya Fu

In this work, we use supratransmission and infratransmission in the mathematical modeling of the propagation of digital signals in weakly damped, discrete Josephson-junction arrays, using energy-based detection criteria. Our results show an…

Superconductivity · Physics 2011-12-06 J. E. Macías-Díaz , A. Puri

Plasma-terminating disruptions in future fusion reactors may result in conversion of the initial current to a relativistic runaway electron beam. Validated predictive tools are required to optimize the scenarios and mitigation actuators to…

Plasma Physics · Physics 2022-08-04 Aaro Järvinen , Tünde Fülöp , Eero Hirvijoki , Mathias Hoppe , Adam Kit , Jan Åström

A key challenge in science and engineering is to design experiments to learn about some unknown quantity of interest. Classical experimental design optimally allocates the experimental budget to maximize a notion of utility (e.g., reduction…

Machine Learning · Computer Science 2022-11-10 Mojmír Mutný , Tadeusz Janik , Andreas Krause

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

An important tool to evaluate the performance of any design is an optimal benchmark proposed by O'Quigley and others (2002, Biostatistics 3(1), 51-56) that provides an upper bound on the performance of a design under a given scenario. The…

Statistics Theory · Mathematics 2018-03-06 Pavel Mozgunov , Thomas Jaki , Xavier Paoletti
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