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Understanding the accuracy limits of machine learning algorithms is essential for data scientists to properly measure performance so they can continually improve their models' predictive capabilities. This study empirically verified the…

Machine Learning · Computer Science 2023-02-06 Arman Bolatov , Kaisar Dauletbek

While many approaches exist in the literature to learn low-dimensional representations for data collections in multiple modalities, the generalizability of multi-modal nonlinear embeddings to previously unseen data is a rather overlooked…

Machine Learning · Computer Science 2021-05-05 Semih Kaya , Elif Vural

In order to generate novel 3D shapes with machine learning, one must allow for interpolation. The typical approach for incorporating this creative process is to interpolate in a learned latent space so as to avoid the problem of generating…

Graphics · Computer Science 2020-01-28 Austin Dill , Songwei Ge , Eunsu Kang , Chun-Liang Li , Barnabas Poczos

How can we find interpretable, domain-appropriate models of natural phenomena given some complex, raw data such as images? Can we use such models to derive scientific insight from the data? In this paper, we propose some methods for…

Machine Learning · Computer Science 2024-02-06 Christopher J. Soelistyo , Alan R. Lowe

Trustworthy machine learning is of primary importance to the practical deployment of deep learning models. While state-of-the-art models achieve astonishingly good performance in terms of accuracy, recent literature reveals that their…

Machine Learning · Computer Science 2023-02-07 Ailin Deng , Shen Li , Miao Xiong , Zhirui Chen , Bryan Hooi

Material scientists are increasingly adopting the use of machine learning (ML) for making potentially important decisions, such as, discovery, development, optimization, synthesis and characterization of materials. However, despite ML's…

Computational Physics · Physics 2019-03-12 Bhavya Kailkhura , Brian Gallagher , Sookyung Kim , Anna Hiszpanski , T. Yong-Jin Han

Interpolation methodologies have been widely used within the domain of indoor positioning systems. However, existing indoor positioning interpolation algorithms exhibit several inherent limitations, including reliance on complex…

Machine Learning · Computer Science 2023-11-28 Suorong Yang , Geng Zhang , Jian Zhao , Furao Shen

The fast Ewald methods are widely used to compute the point-charge electrostatic interactions in molecular simulations. The key step that introduces errors in the computation is the particle-mesh interpolation. In this work, the optimal…

Chemical Physics · Physics 2017-10-25 Han Wang , Jun Fang , Xingyu Gao

Software model checking is a challenging problem, and generating relevant invariants is a key factor in proving the safety properties of a program. Program invariants can be obtained by various approaches, including lightweight procedures…

Software Engineering · Computer Science 2024-10-28 Dirk Beyer , Po-Chun Chien , Nian-Ze Lee

Unsupervised machine learning is widely used to mine large, unlabeled datasets to make data-driven discoveries in critical domains such as climate science, biomedicine, astronomy, chemistry, and more. However, despite its widespread…

Machine Learning · Computer Science 2025-06-06 Andersen Chang , Tiffany M. Tang , Tarek M. Zikry , Genevera I. Allen

Assessing the validity of a real-world system with respect to given quality criteria is a common yet costly task in industrial applications due to the vast number of required real-world tests. Validating such systems by means of simulation…

Machine Learning · Computer Science 2024-09-06 David Reeb , Kanil Patel , Karim Barsim , Martin Schiegg , Sebastian Gerwinn

One way to investigate the precision of estimates likely to result from planned experiments and planned epidemiological studies is to simulate a large number of possible outcomes and analyse the sets of possible results. This appears to be…

Computation · Statistics 2013-06-28 G. K. Robinson , L. M. Ryan

The fast and accurate estimation of planetary mass-loss rates is critical for planet population and evolution modelling. We use machine learning (ML) for fast interpolation across an existing large grid of hydrodynamic upper atmosphere…

Earth and Planetary Astrophysics · Physics 2025-02-04 Amit Reza , Daria Kubyshkina , Luca Fossati , Christiane Helling

We study in this paper the function approximation error of multivariate linear extrapolation. The sharp error bound of linear interpolation already exists in the literature. However, linear extrapolation is used far more often in…

Optimization and Control · Mathematics 2026-05-20 Liyuan Cao , Zaiwen Wen , Ya-xiang Yuan

Among all data augmentation techniques proposed so far, linear interpolation of training samples, also called Mixup, has found to be effective for a large panel of applications. Along with improved predictive performance, Mixup is also a…

Machine Learning · Computer Science 2025-03-20 Quentin Bouniot , Pavlo Mozharovskyi , Florence d'Alché-Buc

Classical approximation and learning methods are typically optimized for interpolation over a sampled domain {\Omega}, with no guarantees on their behavior in an extrapolation region {\Xi}, where small in-domain errors may amplify. We…

Numerical Analysis · Mathematics 2026-03-11 Guy Hay , Nir Sharon

Within the machine learning community, the widely-used uniform convergence framework has been used to answer the question of how complex, over-parameterized models can generalize well to new data. This approach bounds the test error of the…

Machine Learning · Statistics 2021-03-05 Ryan Theisen , Jason M. Klusowski , Michael W. Mahoney

Scientific simulations and experimental measurements produce vast amounts of spatio-temporal data, yet extracting meaningful insights remains challenging due to high dimensionality, complex structures, and missing information. Traditional…

Machine Learning · Computer Science 2025-12-01 Hamid Gadirov

There is a growing consensus that solutions to complex science and engineering problems require novel methodologies that are able to integrate traditional physics-based modeling approaches with state-of-the-art machine learning (ML)…

Computational Physics · Physics 2022-03-15 Jared Willard , Xiaowei Jia , Shaoming Xu , Michael Steinbach , Vipin Kumar

Machine learning methods can be a valuable aid in the scientific process, but they need to face challenging settings where data come from inhomogeneous experimental conditions. Recent meta-learning methods have made significant progress in…

Machine Learning · Computer Science 2024-03-21 Matthieu Blanke , Marc Lelarge