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Many modern statistical applications involve inference for complex stochastic models, where it is easy to simulate from the models, but impossible to calculate likelihoods. Approximate Bayesian computation (ABC) is a method of inference for…

Methodology · Statistics 2015-03-14 Paul Fearnhead , Dennis Prangle

Mathematical models implemented on a computer have become the driving force behind the acceleration of the cycle of scientific processes. This is because computer models are typically much faster and economical to run than physical…

Computation · Statistics 2021-07-05 Vojtech Kejzlar , Mookyong Son , Shrijita Bhattacharya , Tapabrata Maiti

Many state of the art methods for the thermodynamic and kinetic characterization of large and complex biomolecular systems by simulation rely on ensemble approaches, where data from large numbers of relatively short trajectories are…

Data Analysis, Statistics and Probability · Physics 2017-04-05 Feliks Nüske , Hao Wu , Jan-Hendrik Prinz , Christoph Wehmeyer , Cecilia Clementi , Frank Noé

In recent years, the increasing interest in Stochastic model predictive control (SMPC) schemes has highlighted the limitation arising from their inherent computational demand, which has restricted their applicability to slow-dynamics and…

Systems and Control · Electrical Eng. & Systems 2020-05-22 Martina Mammarella , Teodoro Alamo , Fabrizio Dabbene , Matthias Lorenzen

Agent-based models (ABMs) highlight the importance of simulation validation, such as qualitative face validation and quantitative empirical validation. In particular, we focused on quantitative validation by adjusting simulation input…

Artificial Intelligence · Computer Science 2022-03-08 Dongjun Kim , Tae-Sub Yun , Il-Chul Moon , Jang Won Bae

This paper develops a novel sequential Monte Carlo (SMC) approach for joint state and parameter estimation that can deal efficiently with abruptly changing parameters which is a common case when tracking maneuvering targets. The approach…

Computation · Statistics 2015-10-12 Christopher Nemeth , Paul Fearnhead , Lyudmila Mihaylova

Despite their widespread applications, Large Language Models (LLMs) often struggle to express uncertainty, posing a challenge for reliable deployment in high stakes and safety critical domains like clinical diagnostics. Existing standard…

Machine Learning · Computer Science 2025-09-25 Mridul Sharma , Adeetya Patel , Zaneta D' Souza , Samira Abbasgholizadeh Rahimi , Siva Reddy , Sreenath Madathil

Accurate force fields are essential for reliable molecular simulations. These models are refined against quantum mechanical calculations and experimental measurements, which are subject to random and systematic errors. Bayesian Inference of…

Chemical Physics · Physics 2025-11-04 Robert M. Raddi , Vincent A. Voelz

The generalized linear mixed model (GLMM) is widely used for analyzing correlated data, particularly in large-scale biomedical and social science applications. Scalable Bayesian inference for GLMMs is challenging because the marginal…

Computation · Statistics 2026-01-07 Samuel I. Berchuck , Youngsoo Baek , Felipe A. Medeiros , Andrea Agazzi

Computer model calibration is a crucial step in building a reliable computer model. In the face of massive physical observations, a fast estimation for the calibration parameters is urgently needed. To alleviate the computational burden, we…

Statistics Theory · Mathematics 2022-11-24 Shurui Lv , Yan Wang , Jun Yu

Approximate Bayesian computation (ABC) or likelihood-free inference algorithms are used to find approximations to posterior distributions without making explicit use of the likelihood function, depending instead on simulation of sample data…

Computation · Statistics 2015-09-08 Richard D. Wilkinson

For users to trust model predictions, they need to understand model outputs, particularly their confidence - calibration aims to adjust (calibrate) models' confidence to match expected accuracy. We argue that the traditional calibration…

Computation and Language · Computer Science 2022-10-25 Chenglei Si , Chen Zhao , Sewon Min , Jordan Boyd-Graber

A machine learning model is calibrated if its predicted probability for an outcome matches the observed frequency for that outcome conditional on the model prediction. This property has become increasingly important as the impact of machine…

Machine Learning · Computer Science 2025-02-25 Muthu Chidambaram , Rong Ge

In this paper, we consider the problem of reference tracking in uncertain nonlinear systems. A neural State-Space Model (NSSM) is used to approximate the nonlinear system, where a deep encoder network learns the nonlinearity from data, and…

Systems and Control · Electrical Eng. & Systems 2026-02-26 Jiaqi Yan , Ankush Chakrabarty , Alisa Rupenyan , John Lygeros

We consider adapting a canonical computer model calibration apparatus, involving coupled Gaussian process (GP) emulators, to a computer experiment simulating radiative shock hydrodynamics that is orders of magnitude larger than what can…

To quantify how well theoretical predictions of structural ensembles agree with experimental measurements, we depend on the accuracy of forward models. These models are computational frameworks that generate observable quantities from…

Biological Physics · Physics 2025-11-04 Robert M. Raddi , Tim Marshall , Vincent A. Voelz

Approximate Bayesian Computation (ABC) has become increasingly prominent as a method for conducting parameter inference in a range of challenging statistical problems, most notably those characterized by an intractable likelihood function.…

Multi-forecast model predictive control (MF-MPC) is a control policy that creates a plan of actions over a horizon for each of a given set of forecasted scenarios or contingencies, with the constraint that the first action in all plans be…

Optimization and Control · Mathematics 2021-11-30 Xinyue Shen , Stephen Boyd

Micro scanning mirrors (MSM) extend the range and field of view of LiDARs, medical imaging devices, and laser projectors. However, a new class of soft-hinged MSMs contains out-of-plane translation in addition to the 2 degree-of-freedom…

Robotics · Computer Science 2023-11-27 Di Wang , Xiaoyu Duan , Shu-Hao Yeh , Jun Zou , Dezhen Song

We study the class of state-space models and perform maximum likelihood estimation for the model parameters. We consider a stochastic approximation expectation-maximization (SAEM) algorithm to maximize the likelihood function with the…

Computation · Statistics 2017-10-25 Umberto Picchini , Adeline Samson