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Emulators that can bypass computationally expensive scientific calculations with high accuracy and speed can enable new studies of fundamental science as well as more potential applications. In this work we discuss solving a system of…

Nuclear Theory · Physics 2022-07-06 Avik Sarkar , Dean Lee

Numerical simulations of physical systems exhibit discrepancies arising from unmodeled physics and idealizations, as well as numerical approximation errors stemming from discretization and solver tolerances. This article reviews techniques…

Computational Physics · Physics 2026-01-23 Danny Smyl

A research frontier has emerged in scientific computation, wherein numerical error is regarded as a source of epistemic uncertainty that can be modelled. This raises several statistical challenges, including the design of statistical…

Machine Learning · Statistics 2017-10-19 François-Xavier Briol , Chris. J. Oates , Mark Girolami , Michael A. Osborne , Dino Sejdinovic

Complex phenomena in engineering and the sciences are often modeled with computationally intensive feed-forward simulations for which a tractable analytic likelihood does not exist. In these cases, it is sometimes necessary to estimate an…

Methodology · Statistics 2020-06-18 Niccolò Dalmasso , Ann B. Lee , Rafael Izbicki , Taylor Pospisil , Ilmun Kim , Chieh-An Lin

Simulation techniques are providing with each passing day a deeper insight into the structure and properties of materials. Two main obstacles appear for the cooperation of simulation and experiment: on the one hand, the frequent lack of a…

Materials Science · Physics 2018-06-29 Francesca Peccati , Rubén Laplaza , Julia Contreras-García

The dynamic emulation of non-linear deterministic computer codes where the output is a time series, possibly multivariate, is examined. Such computer models simulate the evolution of some real-world phenomenon over time, for example models…

Machine Learning · Statistics 2022-03-22 Hossein Mohammadi , Peter Challenor , Marc Goodfellow

The need for high-throughput, precise, and meaningful methods for measuring behavior has been amplified by our recent successes in measuring and manipulating neural circuitry. The largest challenges associated with moving in this direction,…

Biological Physics · Physics 2017-12-18 Gordon J. Berman

Implicit methods for the numerical solution of initial-value problems may admit multiple solutions at any given time step. Accordingly, their nonlinear solvers may converge to any of these solutions. Below a critical timestep, exactly one…

Numerical Analysis · Mathematics 2019-12-20 K. R. Green , G. W. Patrick , R. J. Spiteri

Process supervision, using a trained verifier to evaluate the intermediate steps generated by a reasoner, has demonstrated significant improvements in multi-step problem solving. In this paper, to avoid the expensive effort of human…

Artificial Intelligence · Computer Science 2024-10-16 Zihan Wang , Yunxuan Li , Yuexin Wu , Liangchen Luo , Le Hou , Hongkun Yu , Jingbo Shang

The primary objective of this study is to develop novel interpolation operators that interpolate the boundary values of a function defined on a triangle. This is accomplished by constructing New Generalized Boolean sum neural network…

Numerical Analysis · Mathematics 2024-10-07 Aaqib Ayoub Bhat , Asif Khan

Computer simulations are invaluable tools for scientific discovery. However, accurate simulations are often slow to execute, which limits their applicability to extensive parameter exploration, large-scale data analysis, and uncertainty…

Interior point methods (IPMs) are a common approach for solving linear programs (LPs) with strong theoretical guarantees and solid empirical performance. The time complexity of these methods is dominated by the cost of solving a linear…

Optimization and Control · Mathematics 2022-02-04 Gregory Dexter , Agniva Chowdhury , Haim Avron , Petros Drineas

Deep neural networks (DNNs) have successfully been applied in many fields in the past decades. However, the increasing number of multiply-and-accumulate (MAC) operations in DNNs prevents their application in resource-constrained and…

Machine Learning · Computer Science 2022-11-29 Wenhao Sun , Grace Li Zhang , Xunzhao Yin , Cheng Zhuo , Huaxi Gu , Bing Li , Ulf Schlichtmann

We survey and unify recent results on the existence of accurate algorithms for evaluating multivariate polynomials, and more generally for accurate numerical linear algebra with structured matrices. By "accurate" we mean that the computed…

Numerical Analysis · Mathematics 2008-05-21 James Demmel , Ioana Dumitriu , Olga Holtz , Plamen Koev

Crystallization is a key step in macromolecular structure determination by crystallography. While a robust theoretical treatment of the process is available, due to the complexity of the system, the experimental process is still largely one…

Biomolecules · Quantitative Biology 2016-08-02 Irem Altan , Patrick Charbonneau , Edward H. Snell

Quantum computing hardware has grown sufficiently complex that it often can no longer be simulated by classical computers, but its computational power remains limited by errors. These errors corrupt the results of quantum algorithms, and it…

The community of program optimisation and analysis, code performance evaluation, parallelisation and optimising compilation has published since many decades hundreds of research and engineering articles in major conferences and journals.…

Performance · Computer Science 2009-07-06 Sid Touati

The Gaussian process is a standard tool for building emulators for both deterministic and stochastic computer experiments. However, application of Gaussian process models is greatly limited in practice, particularly for large-scale and…

Methodology · Statistics 2019-01-09 Chih-Li Sung , Wenjia Wang , Matthew Plumlee , Benjamin Haaland

High-dimensional linear models with endogenous variables play an increasingly important role in recent econometric literature. In this work we allow for models with many endogenous variables and many instrument variables to achieve…

Econometrics · Economics 2019-08-30 Alexandre Belloni , Christian Hansen , Whitney Newey

In environmental applications of extreme value statistics, the underlying stochastic process is often modeled either as a max-stable process in continuous time/space or as a process in the domain of attraction of such a max-stable process.…

Statistics Theory · Mathematics 2018-02-13 Holger Drees , Laurens de Haan , Feridun Turkman