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We discuss a method that employs a multilayer perceptron to detect deviations from a reference model in large multivariate datasets. Our data analysis strategy does not rely on any prior assumption on the nature of the deviation. It is…

High Energy Physics - Phenomenology · Physics 2021-09-24 Raffaele Tito D'Agnolo , Gaia Grosso , Maurizio Pierini , Andrea Wulzer , Marco Zanetti

Statistical learning theory provides the theoretical basis for many of today's machine learning algorithms. In this article we attempt to give a gentle, non-technical overview over the key ideas and insights of statistical learning theory.…

Machine Learning · Statistics 2008-10-28 Ulrike von Luxburg , Bernhard Schoelkopf

In the rapidly growing literature on explanation algorithms, it often remains unclear what precisely these algorithms are for and how they should be used. In this position paper, we argue for a novel and pragmatic perspective: Explainable…

Machine Learning · Computer Science 2025-06-17 Sebastian Bordt , Eric Raidl , Ulrike von Luxburg

Statistical learning algorithms are finding more and more applications in science and technology. Atomic-scale modeling is no exception, with machine learning becoming commonplace as a tool to predict energy, forces and properties of…

Chemical Physics · Physics 2020-12-09 Félix Musil , Michele Ceriotti

Studies often estimate associations between an outcome and multiple variates. For example, studies of diagnostic test accuracy estimate sensitivity and specificity, and studies of predictive and prognostic factors typically estimate…

A large hadron machine like the LHC with its high track multiplicities always asks for powerful tools that drastically reduce the large background while selecting signal events efficiently. Actually such tools are widely needed and used in…

Data Analysis, Statistics and Probability · Physics 2014-11-20 Markward Britsch , Nikolai Gagunashvili , Michael Schmelling

Machine learning encompasses a set of tools and algorithms which are now becoming popular in almost all scientific and technological fields. This is true for molecular dynamics as well, where machine learning offers promises of extracting…

Current statistical inference problems in areas like astronomy, genomics, and marketing routinely involve the simultaneous testing of thousands -- even millions -- of null hypotheses. For high-dimensional multivariate distributions, these…

Methodology · Statistics 2017-04-25 Weixin Cai , Nima S. Hejazi , Alan E. Hubbard

The exponential growth of volume, variety and velocity of data is raising the need for investigations of automated or semi-automated ways to extract useful patterns from the data. It requires deep expert knowledge and extensive…

Machine Learning · Computer Science 2020-07-22 Abbas Raza Ali , Marcin Budka , Bogdan Gabrys

In this work, we address the question of how to enhance signal-agnostic searches by leveraging multiple testing strategies. Specifically, we consider hypothesis tests relying on machine learning, where model selection can introduce a bias…

High Energy Physics - Phenomenology · Physics 2024-08-23 Gaia Grosso , Marco Letizia

Model-independent searches in particle physics aim at completing our knowledge of the universe by looking for new possible particles not predicted by the current theories. Such particles, referred to as signal, are expected to behave as a…

Applications · Statistics 2019-05-31 Alessandro Casa , Giovanna Menardi

The many ways in which machine and deep learning are transforming the analysis and simulation of data in particle physics are reviewed. The main methods based on boosted decision trees and various types of neural networks are introduced,…

Data Analysis, Statistics and Probability · Physics 2020-05-07 Dimitri Bourilkov

Machine learning algorithms learn a desired input-output relation from examples in order to interpret new inputs. This is important for tasks such as image and speech recognition or strategy optimisation, with growing applications in the IT…

Quantum Physics · Physics 2015-05-27 M. Schuld , I. Sinayskiy , F. Petruccione

Accurate forecasting of multivariate time series data is important in many engineering and scientific applications. Recent state-of-the-art works ignore the inter-relations between variates, using their model on each variate independently.…

Machine Learning · Computer Science 2025-03-18 Liran Nochumsohn , Hedi Zisling , Omri Azencot

Monte Carlo is a versatile and frequently used tool in statistical physics and beyond. Correspondingly, the number of algorithms and variants reported in the literature is vast, and an overview is not easy to achieve. In this pedagogical…

Statistical Mechanics · Physics 2010-01-04 Michael Kastner

Data analysis and machine learning have become an integrative part of the modern scientific methodology, offering automated procedures for the prediction of a phenomenon based on past observations, unraveling underlying patterns in data and…

Machine Learning · Statistics 2015-06-04 Gilles Louppe

Modern statistical analysis often encounters high-dimensional problems but with a limited sample size. It poses great challenges to traditional statistical estimation methods. In this work, we adopt auxiliary learning to solve the…

Statistics Theory · Mathematics 2025-01-08 Hanchao Yan , Feifei Wang , Chuanxin Xia , Hansheng Wang

Information theory is widely accepted as a powerful tool for analyzing complex systems and it has been applied in many disciplines. Recently, some central components of information theory - multivariate information measures - have found…

Information Theory · Computer Science 2012-08-30 Nicholas Timme , Wesley Alford , Benjamin Flecker , John M. Beggs

The theory of statistical learning has focused on variational objectives expressed on functions. In this note, we discuss motivations to write similar objectives on measures, in particular to discuss out-of-distribution generalization and…

Machine Learning · Statistics 2023-11-17 Vivien Cabannes , Carles Domingo-Enrich

The massive data sets from today's particle physics experiments present a variety of challenges amenable to the tools developed by the statistics community. From the real-time decision of what subset of data to record on permanent storage,…

High Energy Physics - Experiment · Physics 2007-05-23 Bruce Knuteson , Paul Padley