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Recent advances in probabilistic modelling have led to a large number of simulation-based inference algorithms which do not require numerical evaluation of likelihoods. However, a public benchmark with appropriate performance metrics for…

Machine Learning · Statistics 2021-04-12 Jan-Matthis Lueckmann , Jan Boelts , David S. Greenberg , Pedro J. Gonçalves , Jakob H. Macke

Machine learning (ML) models are increasingly being used in metrology applications. However, for ML models to be credible in a metrology context they should be accompanied by principled uncertainty quantification. This paper addresses the…

Machine Learning · Computer Science 2024-05-09 Andrew Thompson

Models for accurately predicting species distributions have become essential tools for many ecological and conservation problems. For many species, presence-background (presence-only) data is the most commonly available type of spatial…

Methodology · Statistics 2018-01-08 Yan Wang , Lewi Stone

Background: The rapid advancement of Machine Learning (ML) represents novel opportunities to enhance public health research, surveillance, and decision-making. However, there is a lack of comprehensive understanding of algorithmic bias,…

Machine Learning · Computer Science 2024-09-04 Shaina Raza , Arash Shaban-Nejad , Elham Dolatabadi , Hiroshi Mamiya

Electrostatics is of paramount importance to chemistry, physics, biology, and medicine. The Poisson-Boltzmann (PB) theory is a primary model for electrostatic analysis. However, it is highly challenging to compute accurate PB electrostatic…

Chemical Physics · Physics 2023-12-20 Jiahui Chen , Yongjia Xu , Xin Yang , Zixuan Cang , Weihua Geng , Guo-Wei Wei

Large language model (LLM) evaluation is increasingly costly, prompting interest in methods that speed up evaluation by shrinking benchmark datasets. Benchmark prediction (also called efficient LLM evaluation) aims to select a small subset…

Machine Learning · Computer Science 2025-06-10 Guanhua Zhang , Florian E. Dorner , Moritz Hardt

Artificial intelligence (AI) provides many opportunities to improve private and public life. Discovering patterns and structures in large troves of data in an automated manner is a core component of data science, and currently drives…

Machine Learning · Computer Science 2020-09-25 Vaishak Belle , Ioannis Papantonis

Machine learning (ML) is about computational methods that enable machines to learn concepts from experience. In handling a wide variety of experience ranging from data instances, knowledge, constraints, to rewards, adversaries, and lifelong…

Machine Learning · Computer Science 2023-01-11 Zhiting Hu , Eric P. Xing

Neuroscience has recently made much progress, expanding the complexity of both neural-activity measurements and brain-computational models. However, we lack robust methods for connecting theory and experiment by evaluating our new big…

Quantitative Methods · Quantitative Biology 2023-07-06 Heiko H. Schütt , Alexander D. Kipnis , Jörn Diedrichsen , Nikolaus Kriegeskorte

Automated decision making is used routinely throughout our everyday life. Recommender systems decide which jobs, movies, or other user profiles might be interesting to us. Spell checkers help us to make good use of language. Fraud detection…

Machine Learning · Computer Science 2020-07-15 Alexander Jung , Pedro H. J. Nardelli

Big data applications and analytics are employed in many sectors for a variety of goals: improving customers satisfaction, predicting market behavior or improving processes in public health. These applications consist of complex software…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-08-30 Alexandre Maros , Fabricio Murai , Ana Paula Couto da Silva , Jussara M. Almeida , Marco Lattuada , Eugenio Gianniti , Marjan Hosseini , Danilo Ardagna

When it is acknowledged that all candidate parameterised statistical models are misspecified relative to the data generating process, the decision maker (DM) must currently concern themselves with inference for the parameter value…

Statistics Theory · Mathematics 2018-07-04 Jack Jewson , Jim Q Smith , Chris Holmes

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

Applied machine learning (ML) has rapidly spread throughout the physical sciences; in fact, ML-based data analysis and experimental decision-making has become commonplace. We suggest a shift in the conversation from proving that ML can be…

Materials Science · Physics 2021-12-21 Naohiro Fujinuma , Brian L. DeCost , Jason Hattrick-Simpers , Samuel E. Lofland

This paper presents an explainable machine learning (ML) approach for predicting surface roughness in milling. Utilizing a dataset from milling aluminum alloy 2017A, the study employs random forest regression models and feature importance…

Machine Learning · Computer Science 2024-09-17 Dennis Gross , Helge Spieker , Arnaud Gotlieb , Ricardo Knoblauch , Mohamed Elmansori

New technologies have led to vast troves of large and complex datasets across many scientific domains and industries. People routinely use machine learning techniques to not only process, visualize, and make predictions from this big data,…

Machine Learning · Statistics 2023-08-04 Genevera I. Allen , Luqin Gan , Lili Zheng

The machine learning (ML) techniques to predict unitarity (UNI) and bounded from below (BFB) constraints in multi-scalar models is employed. The effectiveness of this approach is demonstrated by applying it to the two and three Higgs…

High Energy Physics - Phenomenology · Physics 2024-01-18 Darius Jurčiukonis

We consider inference from non-random samples in data-rich settings where high-dimensional auxiliary information is available both in the sample and the target population, with survey inference being a special case. We propose a regularized…

Methodology · Statistics 2021-04-13 Yutao Liu , Andrew Gelman , Qixuan Chen

Despite all the benefits of automated hyperparameter optimization (HPO), most modern HPO algorithms are black-boxes themselves. This makes it difficult to understand the decision process which leads to the selected configuration, reduces…

Machine Learning · Computer Science 2023-02-14 Julia Moosbauer , Giuseppe Casalicchio , Marius Lindauer , Bernd Bischl

Due to concerns about parametric model misspecification, there is interest in using machine learning to adjust for confounding when evaluating the causal effect of an exposure on an outcome. Unfortunately, exposure effect estimators that…

Methodology · Statistics 2025-01-08 Oliver Dukes , Stijn Vansteelandt , David Whitney
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