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Techniques for simulating molecules whose conformations satisfy constraints are presented. A method for selecting appropriate moves in Monte Carlo simulations is given. The resulting moves not only obey the constraints but also maintain…

Computational Physics · Physics 2007-05-23 Charles F. F. Karney , Jason E. Ferrara

Effective decision making from randomised controlled clinical trials relies on robust interpretation of the numerical results. However, the language we use to describe clinical trials can cause confusion both in trial design and in…

We provide an analytical argument for understanding the likely nature of parameter shifts between those coming from an analysis of a dataset and from a subset of that dataset, assuming differences are down to noise and any intrinsic…

Instrumentation and Methods for Astrophysics · Physics 2020-10-28 Steven Gratton , Anthony Challinor

We discuss the scaling of the interaction energy with particle numbers for a harmonically trapped two-species mixture at thermal equilibrium experiencing interactions of arbitrary strength and range. In the limit of long-range interactions…

Statistical Mechanics · Physics 2019-02-12 Francisco Jauffred , Roberto Onofrio , Bala Sundaram

We present an empirical study aimed at analysing the use of viewpoints in an industrial Concurrent Engineering context. Our focus is on the viewpoints expressed in the argumentative process taking place in evaluation meetings. Our results…

Human-Computer Interaction · Computer Science 2016-08-16 Géraldine Martin , Françoise Détienne , Elisabeth Lavigne

With the growing pervasiveness of artificial intelligence, the ability to explain the inferences made by machine learning models has become increasingly important. Numerous techniques for model explainability have been proposed, with…

Human-Computer Interaction · Computer Science 2026-04-08 Nicola Rossberg , Bennett Kleinberg , Barry O'Sullivan , Luca Longo , Andrea Visentin

This paper addresses the problem of identifying and estimating the causal effect of a treatment in the presence of unmeasured confounding and various types of right-censoring. Examples of these censoring mechanisms are administrative…

Statistics Theory · Mathematics 2025-03-19 Ilias Willems , Sara Rutten , Gilles Crommen , Ingrid Van Keilegom

Exposure mappings are widely used to model potential outcomes in the presence of interference, where each unit's outcome may depend not only on its own treatment, but also on the treatment of other units as well. However, in practice these…

Methodology · Statistics 2018-07-02 David Choi

As input data distributions evolve, the predictive performance of machine learning models tends to deteriorate. In practice, new input data tend to come without target labels. Then, state-of-the-art techniques model input data distributions…

Machine Learning · Computer Science 2023-09-08 Carlos Mougan , Klaus Broelemann , David Masip , Gjergji Kasneci , Thanassis Thiropanis , Steffen Staab

We propose a method for setting limits that avoids excluding parameter values for which the sensitivity falls below a specified threshold. These "power-constrained" limits (PCL) address the issue that motivated the widely used CLs…

Data Analysis, Statistics and Probability · Physics 2011-05-17 Glen Cowan , Kyle Cranmer , Eilam Gross , Ofer Vitells

In this paper, we investigate how feature interactions can be identified to be used as constraints in the gradient boosting tree models using XGBoost's implementation. Our results show that accurate identification of these constraints can…

Machine Learning · Computer Science 2020-07-14 Kshitij Goyal , Sebastijan Dumancic , Hendrik Blockeel

Simulation models are an absolute necessity in the human and social sciences, which can only very exceptionally use experimental science methods to construct their knowledge. Models enable the simulation of social processes by replacing the…

Computers and Society · Computer Science 2020-01-06 J. Raimbault , D. Pumain

We investigate the estimation of a small interaction parameter from the outcomes of weak quantum measurements implemented by the interaction. The relation of weak values and sensitivity is explained and the different contributions of…

Quantum Physics · Physics 2012-10-23 Holger F. Hofmann , Michael E. Goggin , Marcelo P. Almeida , Marco Barbieri

Although a system is described by a well-known set of equations leading to a deterministic behavior, in the real world the value of a measurand obtained by an experiment will mostly scatter. Accordingly, an uncertainty is associated with…

Data Analysis, Statistics and Probability · Physics 2019-06-24 Markus Schiebl

Model interpretations are often used in practice to extract real world insights from machine learning models. These interpretations have a wide range of applications; they can be presented as business recommendations or used to evaluate…

Machine Learning · Computer Science 2020-11-20 Brian Liu , Madeleine Udell

Additive models enjoy the flexibility of nonlinear models while still being readily understandable to humans. By contrast, other nonlinear models, which involve interactions between features, are not only harder to fit but also…

Methodology · Statistics 2025-06-03 Yiling Huang , Snigdha Panigrahi , Guo Yu , Jacob Bien

In real-world applications, observations are often constrained to a small fraction of a system. Such spatial subsampling can be caused by the inaccessibility or the sheer size of the system, and cannot be overcome by longer sampling.…

Data Analysis, Statistics and Probability · Physics 2017-06-02 Anna Levina , Viola Priesemann

We study the interacting quintessence model with two different types of interaction by introducing a general parameterization of the quintessence potentials. The form of the quintessence potentials is arbitrary as the recent cosmological…

Cosmology and Nongalactic Astrophysics · Physics 2019-06-27 Nandan Roy , Kazuharu Bamba

Dataset scaling, also known as normalization, is an essential preprocessing step in a machine learning pipeline. It is aimed at adjusting attributes scales in a way that they all vary within the same range. This transformation is known to…

Machine Learning · Computer Science 2022-12-26 Lucas B. V. de Amorim , George D. C. Cavalcanti , Rafael M. O. Cruz

We explore the possibility of putting constraints on quintessence models with large-scale structure observations. In particular we compute the linear and second order growth rate of the fluctuations in different flavors of quintessence…

Astrophysics · Physics 2009-11-06 K. Benabed , F. Bernardeau