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Generative artificial intelligence models learn probability distributions from data and produce novel samples that capture the salient properties of their training sets. Proteins are particularly attractive for such approaches given their…

Biomolecules · Quantitative Biology 2026-02-27 Filippo Stocco , Michele Garibbo , Noelia Ferruz

Machine learning applications are becoming increasingly pervasive in our society. Since these decision-making systems rely on data-driven learning, risk is that they will systematically spread the bias embedded in data. In this paper, we…

Machine Learning · Statistics 2023-02-09 Alessandro Castelnovo , Riccardo Crupi , Nicole Inverardi , Daniele Regoli , Andrea Cosentini

Model selection requires repeatedly evaluating models on a given dataset and measuring their relative performances. In modern applications of machine learning, the models being considered are increasingly more expensive to evaluate and the…

Machine Learning · Computer Science 2020-10-21 Anant Raj , Cameron Musco , Lester Mackey , Nicolo Fusi

Machine Learning produces efficient decision and prediction models based on input-output data only. Such models have the form of decision trees or neural nets and are far from transparent analytical models, based on mathematical formulas.…

Artificial Intelligence · Computer Science 2025-05-20 Jakub Skrzyński , Dominik Sepioło , Antoni Ligęza

We present a conceptual framework, datamodeling, for analyzing the behavior of a model class in terms of the training data. For any fixed "target" example $x$, training set $S$, and learning algorithm, a datamodel is a parameterized…

Machine Learning · Statistics 2022-02-02 Andrew Ilyas , Sung Min Park , Logan Engstrom , Guillaume Leclerc , Aleksander Madry

Machine learning provides a broad framework for addressing high-dimensional prediction problems in classification and regression. While machine learning is often applied for imaging problems in medical physics, there are many efforts to…

Applications · Statistics 2020-07-02 John Kang , James T. Coates , Robert L. Strawderman , Barry S. Rosenstein , Sarah L. Kerns

In this thesis we discuss machine learning methods performing automated variable selection for learning sparse predictive models. There are multiple reasons for promoting sparsity in the predictive models. By relying on a limited set of…

Machine Learning · Computer Science 2019-03-27 Magda Gregorova

Dynamical systems that evolve continuously over time are ubiquitous throughout science and engineering. Machine learning (ML) provides data-driven approaches to model and predict the dynamics of such systems. A core issue with this approach…

Machine Learning · Computer Science 2023-11-23 Aditi S. Krishnapriyan , Alejandro F. Queiruga , N. Benjamin Erichson , Michael W. Mahoney

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

In this paper, we present a machine learning-based data generator framework tailored to aid researchers who utilize simulations to examine various physical systems or processes. High computational costs and the resulting limited data often…

Machine Learning · Computer Science 2023-05-17 Sabber Ahamed , Md Mesbah Uddin

Large-scale behavioral datasets enable researchers to use complex machine learning algorithms to better predict human behavior, yet this increased predictive power does not always lead to a better understanding of the behavior in question.…

Computers and Society · Computer Science 2019-05-14 Mayank Agrawal , Joshua C. Peterson , Thomas L. Griffiths

Machine Learning is a powerful tool to reveal and exploit correlations in a multi-dimensional parameter space. Making predictions from such correlations is a highly non-trivial task, in particular when the details of the underlying dynamics…

High Energy Physics - Phenomenology · Physics 2019-01-30 Christoph Englert , Peter Galler , Philip Harris , Michael Spannowsky

The large majority of inferences drawn in empirical political research follow from model-based associations (e.g. regression). Here, we articulate the benefits of predictive modeling as a complement to this approach. Predictive models aim…

Methodology · Statistics 2016-12-20 Skyler J. Cranmer , Bruce A. Desmarais

Providing users with alternatives to choose from is an essential component in many online platforms, making the accurate prediction of choice vital to their success. A renewed interest in learning choice models has led to significant…

Machine Learning · Computer Science 2020-01-22 Nir Rosenfeld , Kojin Oshiba , Yaron Singer

We argue that, when establishing and benchmarking Machine Learning (ML) models, the research community should favour evaluation metrics that better capture the value delivered by their model in practical applications. For a specific class…

Machine Learning · Computer Science 2021-12-14 Fabio Casati , Pierre-André Noël , Jie Yang

Machine learning is often viewed as an inherently value-neutral process: statistical tendencies in the training inputs are "simply" used to generalize to new examples. However when models impact social systems such as interactions between…

Computers and Society · Computer Science 2019-08-21 Ben Hutchinson , KJ Pittl , Margaret Mitchell

We introduce a framework for calibrating machine learning models so that their predictions satisfy explicit, finite-sample statistical guarantees. Our calibration algorithms work with any underlying model and (unknown) data-generating…

Machine Learning · Computer Science 2022-10-03 Anastasios N. Angelopoulos , Stephen Bates , Emmanuel J. Candès , Michael I. Jordan , Lihua Lei

Heralded by the initial success in speech recognition and image classification, learning-based approaches with neural networks, commonly referred to as deep learning, have spread across various fields. A primitive form of a neural network…

Robotics · Computer Science 2024-09-02 Takuma Yoneda

Generative models learn the distribution of data from a sample dataset and can then generate new data instances. Recent advances in deep learning has brought forth improvements in generative model architectures, and some state-of-the-art…

Cryptography and Security · Computer Science 2021-07-30 Luke A. Bauer , Vincent Bindschaedler

Machine learning models are routinely integrated into process mining pipelines to carry out tasks like data transformation, noise reduction, anomaly detection, classification, and prediction. Often, the design of such models is based on…

Machine Learning · Computer Science 2024-02-21 Paolo Ceravolo , Sylvio Barbon Junior , Ernesto Damiani , Wil van der Aalst