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Atomistic modelling of phase transitions, chemical reactions, or other rare events that involve overcoming high free energy barriers usually entails prohibitively long simulation times. Introducing a bias potential as a function of an…

Computational Physics · Physics 2019-11-06 Federico Giberti , Bingqing Cheng , Gareth Aneurin Tribello , Michele Ceriotti

Seemingly unrelated regression is a natural framework for regressing multiple correlated responses on multiple predictors. The model is very flexible, with multiple linear regression and covariance selection models being special cases.…

Methodology · Statistics 2019-07-23 Yunfan Li , Jyotishka Datta , Bruce A. Craig , Anindya Bhadra

We analyze in this paper the performance of a newly developed globally convergent numerical method for a coefficient inverse problem for the case of multi-frequency experimental backscatter data associated to a single incident wave. These…

Numerical Analysis · Mathematics 2017-06-07 Dinh-Liem Nguyen , Michael V. Klibanov , Loc H. Nguyen , Aleksandr E. Kolesov , Michael A. Fiddy , Hui Liu

Partial differential equations are central to describing many physical phenomena. In many applications these phenomena are observed through a sensor network, with the aim of inferring their underlying properties. Leveraging from certain…

Information Theory · Computer Science 2017-11-22 John Murray-Bruce , Pier Luigi Dragotti

The statistical inverse problem of estimating the probability distribution of an infinite-dimensional unknown given its noisy indirect observation is studied in the Bayesian framework. In practice, one often considers only…

Statistics Theory · Mathematics 2017-11-21 Sari Lasanen

While existing mathematical descriptions can accurately account for phenomena at microscopic scales (e.g. molecular dynamics), these are often high-dimensional, stochastic and their applicability over macroscopic time scales of physical…

Machine Learning · Statistics 2016-09-08 P. S. Koutsourelakis , Elias Bilionis

Determining process-structure-property linkages is one of the key objectives in material science, and uncertainty quantification plays a critical role in understanding both process-structure and structure-property linkages. In this work, we…

Computational Engineering, Finance, and Science · Computer Science 2023-01-27 Anh Tran , Tim Wildey

Statistical modeling of multivariate and spatial extreme events has attracted broad attention in various areas of science. Max-stable distributions and processes are the natural class of models for this purpose, and many parametric families…

Methodology · Statistics 2017-08-09 Clement Dombry , Sebastian Engelke , Marco Oesting

Inferring dynamical models from data continues to be a significant challenge in computational biology, especially given the stochastic nature of many biological processes. We explore a common scenario in omics, where statistically…

Machine Learning · Computer Science 2025-07-31 Suryanarayana Maddu , Victor Chardès , Michael. J. Shelley

We consider Bayesian inference for large scale inverse problems, where computational challenges arise from the need for repeated evaluations of an expensive forward model. This renders most Markov chain Monte Carlo approaches infeasible,…

Numerical Analysis · Mathematics 2022-08-12 Daniel Zhengyu Huang , Jiaoyang Huang , Sebastian Reich , Andrew M. Stuart

The equilibrium distribution function determines macroscopic observables in statistical physics. While conventional methods correct equilibrium distributions in weakly nonlinear or near-integrable systems, they fail in strongly nonlinear…

Statistical Mechanics · Physics 2025-07-11 Jialin Zhang , Yong Zhang , Hong Zhao

Given an observational study with $n$ independent but heterogeneous units, our goal is to learn the counterfactual distribution for each unit using only one $p$-dimensional sample per unit containing covariates, interventions, and outcomes.…

Machine Learning · Computer Science 2023-09-18 Abhin Shah , Raaz Dwivedi , Devavrat Shah , Gregory W. Wornell

We construct a generalization of the Ornstein-Uhlenbeck processes on the cone of covariance matrices endowed with the Log-Euclidean and the Affine-Invariant metrics. Our development exploits the Riemannian geometric structure of symmetric…

Methodology · Statistics 2022-11-18 Mai Ngoc Bui , Yvo Pokern , Petros Dellaportas

We develop a machine learning algorithm to infer the emergent stochastic equation governing the evolution of an order parameter of a many-body system. We train our neural network to independently learn the directed force acting on the order…

Disordered Systems and Neural Networks · Physics 2024-12-10 Francesco Carnazza , Federico Carollo , Sabine Andergassen , Georg Martius , Miriam Klopotek , Igor Lesanovsky

We introduce a Bayesian approach for analyzing (possibly) high-dimensional dependent data that are distributed according to a member from the natural exponential family of distributions. This problem requires extensive methodological…

Methodology · Statistics 2019-04-19 Jonathan R. Bradley , Scott H. Holan , Christopher K. Wikle

We study the formation of coherent structures in a system with long-range interactions where particles moving on a circle interact through a repulsive cosine potential. Non equilibrium structures are shown to correspond to statistical…

Statistical Mechanics · Physics 2009-11-07 Julien Barre' , Freddy Bouchet , Thierry Dauxois , Stefano Ruffo

Information theory is an outstanding framework to measure uncertainty, dependence and relevance in data and systems. It has several desirable properties for real world applications: it naturally deals with multivariate data, it can handle…

Machine Learning · Statistics 2024-10-30 Valero Laparra , J. Emmanuel Johnson , Gustau Camps-Valls , Raul Santos-Rodríguez , Jesus Malo

Physically motivated stochastic dynamics are often used to sample from high-dimensional distributions. However such dynamics often get stuck in specific regions of their state space and mix very slowly to the desired stationary state. This…

Machine Learning · Statistics 2025-05-13 Abhijith Jayakumar , Andrey Y. Lokhov , Sidhant Misra , Marc Vuffray

Inference tasks in signal processing are often characterized by the availability of reliable statistical modeling with some missing instance-specific parameters. One conventional approach uses data to estimate these missing parameters and…

Signal Processing · Electrical Eng. & Systems 2023-04-25 Nir Shlezinger , Tirza Routtenberg

We generalise the problem of inverse reinforcement learning to multiple tasks, from multiple demonstrations. Each one may represent one expert trying to solve a different task, or as different experts trying to solve the same task. Our main…

Machine Learning · Statistics 2012-09-04 Christos Dimitrakakis , Constantin Rothkopf
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