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Simulations with an explicit description of intermolecular forces using electronic structure methods are still not feasible for many systems of interest. As a result, empirical methods such as force fields (FF) have become an established…

Chemical Physics · Physics 2022-06-02 Moritz Thürlemann , Lennard Böselt , Sereina Riniker

The feasibility of uniquely estimating parameters of dynamical systems from observations is a widely discussed aspect of mathematical modelling. Several approaches have been published for analyzing identifiability. However, they are…

Methodology · Statistics 2017-08-14 Clemens Kreutz

The solution to empirical risk minimization with $f$-divergence regularization (ERM-$f$DR) is presented under mild conditions on $f$. Under such conditions, the optimal measure is shown to be unique. Examples of the solution for particular…

Machine Learning · Statistics 2024-10-25 Francisco Daunas , Iñaki Esnaola , Samir M. Perlaza , H. Vincent Poor

We consider a class of systems with time-varying parameters, which are written as linear regressions with bounded disturbances. The task is to estimate such parameters under the condition that the regressor is finitely exciting (FE).…

Systems and Control · Electrical Eng. & Systems 2021-11-24 Anton Glushchenko , Konstantin Lastochkin

We propose novel parameter estimation algorithms for a class of dynamical systems with nonlinear parametrization. The class is initially restricted to smooth monotonic functions with respect to a linear functional of the parameters. We show…

Dynamical Systems · Mathematics 2007-05-23 Ivan Tyukin , Danil Prokhorov , Cees van Leeuwen

For the theoretical understanding of the reactivity of complex chemical systems accurate relative energies between intermediates and transition states are required. Despite its popularity, density functional theory (DFT) often fails to…

Chemical Physics · Physics 2016-06-23 Gregor N. Simm , Markus Reiher

The modal factor model represents a new factor model for dimension reduction in high dimensional panel data. Unlike the approximate factor model that targets for the mean factors, it captures factors that influence the conditional mode of…

Econometrics · Economics 2024-10-01 Zhe Sun , Yundong Tu

In this paper we consider a class of nonparametric estimators of a distribution function F, with compact support, based on the theory of IFSs. The estimator of F is tought as the fixed point of a contractive operator T defined in terms of a…

Statistics Theory · Mathematics 2007-06-13 Stefano M. Iacus , Davide La Torre

Dynamical modelling lies at the heart of our understanding of physical systems. Its role in science is deeper than mere operational forecasting, in that it allows us to evaluate the adequacy of the mathematical structure of our models.…

Data Analysis, Statistics and Probability · Physics 2015-06-05 Hailiang Du , Leonard A. Smith

Knowledge on evolving physical fields is of paramount importance in science, technology, and economics. Dynamical field inference (DFI) addresses the problem of reconstructing a stochastically driven, dynamically evolving field from finite…

Quantum Physics · Physics 2021-12-22 Margret Westerkamp , Igor Ovchinnikov , Philipp Frank , Torsten Enßlin

Quite recently I have proposed a nonperturbative dynamical effective field model (DEFM) to quantitatively describe the dynamics of interacting ferrofluids. Its predictions compare very well with the results from simulations. In this paper I…

Soft Condensed Matter · Physics 2020-11-18 Angbo Fang

This study introduces a novel nonparametric approach for detecting Differential Item Functioning (DIF) in binary items through direct comparison of Item Response Curves (IRCs). Building on prior work on nonparametric comparison of…

Methodology · Statistics 2025-11-25 Adéla Hladká , Patrícia Martinková

This paper deals with the problem of finding a low-complexity estimate of the impulse response of a linear time-invariant discrete-time dynamic system from noise-corrupted input-output data. To this purpose, we introduce an identification…

Systems and Control · Computer Science 2016-09-23 Giuseppe C. Calafiore , Carlo Novara , Michele Taragna

This note presents a unified analysis of the identification of dynamical systems with low-rank constraints under high-dimensional scaling. This identification problem for dynamic systems are challenging due to the intrinsic dependency of…

Statistics Theory · Mathematics 2019-12-23 Junlin Li

The goal of this paper is to extend the nonparametric estimation of Impulse Response Functions (IRF) by means of local projections in the nonlinear dynamic framework. We discuss the existence of a nonlinear autoregressive representation for…

Econometrics · Economics 2025-08-26 Christian Gourieroux , Quinlan Lee

Fitting probabilistic models to data is often difficult, due to the general intractability of the partition function. We propose a new parameter fitting method, Minimum Probability Flow (MPF), which is applicable to any parametric model. We…

Machine Learning · Computer Science 2020-07-21 Jascha Sohl-Dickstein , Peter Battaglino , Michael R. DeWeese

A mixed data frame (MDF) is a table collecting categorical, numerical and count observations. The use of MDF is widespread in statistics and the applications are numerous from abundance data in ecology to recommender systems. In many cases,…

Methodology · Statistics 2019-03-27 Geneviève Robin , Olga Klopp , Julie Josse , Éric Moulines , Robert Tibshirani

Factorization machines (FMs) are machine learning predictive models based on second-order feature interactions and FMs with sparse regularization are called sparse FMs. Such regularizations enable feature selection, which selects the most…

Machine Learning · Statistics 2021-04-02 Kyohei Atarashi , Satoshi Oyama , Masahito Kurihara

The statistical analysis of neuronal spike trains by models of point processes often relies on the assumption of constant process parameters. However, it is a well-known problem that the parameters of empirical spike trains can be highly…

Statistics Theory · Mathematics 2016-12-13 Michael Messer , Kauê M. Costa , Jochen Roeper , Gaby Schneider

This paper studies identification and estimation of a class of dynamic models in which the decision maker (DM) is uncertain about the data-generating process. The DM surrounds a benchmark model that he or she fears is misspecified by a set…

Econometrics · Economics 2019-01-30 Timothy M. Christensen