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Constructing a chemically diverse dataset while avoiding sampling bias is critical to training efficient and generalizable force fields. However, in computational chemistry and materials science, many common dataset generation techniques…

Machine Learning · Computer Science 2025-09-17 Hong Sun , Joshua A. Vita , Amit Samanta , Vincenzo Lordi

With rapid advances in information technology, massive datasets are collected in all fields of science, such as biology, chemistry, and social science. Useful or meaningful information is extracted from these data often through statistical…

Methodology · Statistics 2021-09-22 Wenxuan Zhong , Yiwen Liu , Peng Zeng

The finite sensitivity of instruments or detection methods means that data sets in many areas of astronomy, for example cosmological or exoplanet surveys, are necessarily systematically incomplete. Such data sets, where the population being…

Instrumentation and Methods for Astrophysics · Physics 2020-10-14 Adam B. Mantz

The automated construction of coarse-grained models represents a pivotal component in computer simulation of physical systems and is a key enabler in various analysis and design tasks related to uncertainty quantification. Pertinent methods…

Machine Learning · Statistics 2019-09-11 Constantin Grigo , Phaedon-Stelios Koutsourelakis

Symbolic regression is a machine learning technique that can learn the governing formulas of data and thus has the potential to transform scientific discovery. However, symbolic regression is still limited in the complexity and…

Machine Learning · Computer Science 2023-05-30 Michael Zhang , Samuel Kim , Peter Y. Lu , Marin Soljačić

Artificial intelligence models trained from data can only be as good as the underlying data is. Biases in training data propagating through to the output of a machine learning model are a well-documented and well-understood phenomenon, but…

Machine Learning · Computer Science 2025-04-02 Stefan Rass , Martin Dallinger

Structured additive distributional copula regression allows to model the joint distribution of multivariate outcomes by relating all distribution parameters to covariates. Estimation via statistical boosting enables accounting for…

We propose a novel deep symbolic regression approach to enhance the robustness and interpretability of data-driven mathematical expression discovery. Our work is aligned with the popular DSR framework which focuses on learning a…

Machine Learning · Computer Science 2026-03-30 Zachary Bastiani , Robert M. Kirby , Jacob Hochhalter , Shandian Zhe

Many structural econometric models include latent variables on whose probability distributions one may wish to place minimal restrictions. Leading examples in panel data models are individual-specific variables sometimes treated as "fixed…

Econometrics · Economics 2024-01-15 Andrew Chesher , Adam M. Rosen , Yuanqi Zhang

Machine learning is often applied in health science to obtain predictions and new understandings of complex phenomena and relationships, but an availability of sufficient data for model training is a widespread problem. Traditional machine…

Machine Learning · Computer Science 2021-05-18 Casper Wilstrup , Jaan Kasak

Fitness landscapes in test-based program synthesis are known to be extremely rugged, with even minimal modifications of programs often leading to fundamental changes in their behavior and, consequently, fitness values. Relying on fitness as…

Machine Learning · Computer Science 2025-02-10 Piotr Wyrwiński , Krzysztof Krawiec

Symbolic Computation algorithms and their implementation in computer algebra systems often contain choices which do not affect the correctness of the output but can significantly impact the resources required: such choices can benefit from…

Symbolic Computation · Computer Science 2024-09-12 Tereso del Río , Matthew England

Enabling robots to learn novel visuomotor skills in a data-efficient manner remains an unsolved problem with myriad challenges. A popular paradigm for tackling this problem is through leveraging large unlabeled datasets that have many…

Robotics · Computer Science 2023-05-16 Maximilian Du , Suraj Nair , Dorsa Sadigh , Chelsea Finn

This paper outlines a unified framework for high dimensional variable selection for classification problems. Traditional approaches to finding interesting variables mostly utilize only partial information through moments (like mean…

Methodology · Statistics 2016-11-25 S. Mukhopadhyay , Emanuel Parzen , S. N. Lahiri

In many application areas, predictive models are used to support or make important decisions. There is increasing awareness that these models may contain spurious or otherwise undesirable correlations. Such correlations may arise from a…

Applications · Statistics 2021-09-21 Emanuele Aliverti , Kristian Lum , James E. Johndrow , David B. Dunson

We consider the task of discovering gene regulatory networks, which are defined as sets of genes and the corresponding transcription factors which regulate their expression levels. This can be viewed as a variable selection problem,…

Methodology · Statistics 2014-12-04 Justin Bleich , Adam Kapelner , Edward I. George , Shane T. Jensen

We present a novel method for determining multi-fractal properties from experimental data. It is based on maximising the likelihood that the given finite data set comes from a particular set of parameters in a multi-parameter family of well…

chao-dyn · Physics 2009-10-28 A. J. Roberts , A. Cronin

We introduce ShortcutGen, a new data poisoning attack that generates sample-dependent, error-minimizing perturbations by learning a generator. The key novelty of ShortcutGen is the use of a randomly-initialized discriminator, which provides…

Machine Learning · Computer Science 2022-11-03 Dirren van Vlijmen , Alex Kolmus , Zhuoran Liu , Zhengyu Zhao , Martha Larson

Probabilistic graphical models offer a powerful framework to account for the dependence structure between variables, which is represented as a graph. However, the dependence between variables may render inference tasks intractable. In this…

Data-driven model interpretability is a requirement to gain the acceptance of process engineers to rely on the prediction of a data-driven model to regulate industrial processes in the ironmaking industry. In the research presented in this…

Machine Learning · Computer Science 2020-07-27 Cedric Schockaert , Reinhard Leperlier , Assaad Moawad