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In order to optimally design materials, it is crucial to understand the structure-property relations in the material by analyzing the effect of microstructure parameters on the macroscopic properties. In computational homogenization, the…

Computational Engineering, Finance, and Science · Computer Science 2022-08-24 Theron Guo , Ondřej Rokoš , Karen Veroy

Randomized smoothing has emerged as a potent certifiable defense against adversarial attacks by employing smoothing noises from specific distributions to ensure the robustness of a smoothed classifier. However, the utilization of Monte…

Machine Learning · Computer Science 2025-04-01 Devansh Bhardwaj , Kshitiz Kaushik , Sarthak Gupta

Reliable plasma transport modeling for magnetic confinement fusion depends on accurately resolving the ion charge state distribution and radiative power losses of the plasma. These quantities can be obtained from solutions of a…

Plasma Physics · Physics 2022-09-28 Nathan A. Garland , Romit Maulik , Qi Tang , Xian-Zhu Tang , Prasanna Balaprakash

Accurate and robust surrogate modeling is essential for the real-time control and optimization of large-scale subsurface systems, such as geological CO2 storage and waterflood management. This study investigates the limits of classical…

Systems and Control · Electrical Eng. & Systems 2025-11-04 Dimitrios Voulanas , Eduardo Gildin

We explore a hybrid technique to quantify the variability in the numerical solutions to a free boundary problem associated with magnetic equilibrium in axisymmetric fusion reactors amidst parameter uncertainties. The method aims at reducing…

Computational Physics · Physics 2026-03-03 Howard Elman , Jiaxing Liang , Tonatiuh Sánchez-Vizuet

This paper investigates the control of an ML component within the Covariance Matrix Adaptation Evolution Strategy (CMA-ES) devoted to black-box optimization. The known CMA-ES weakness is its sample complexity, the number of evaluations of…

Machine Learning · Computer Science 2013-08-20 Ilya Loshchilov , Marc Schoenauer , Michèle Sebag

We consider Monte Carlo approximations to the maximum likelihood estimator in models with intractable norming constants. This paper deals with adaptive Monte Carlo algorithms, which adjust control parameters in the course of simulation. We…

Methodology · Statistics 2016-12-08 Blazej Miasojedow , Wojciech Niemiro , Jan Palczewski , Wojciech Rejchel

A maximum likelihood methodology for a general class of models is presented, using an approximate Bayesian computation (ABC) approach. The typical target of ABC methods are models with intractable likelihoods, and we combine an ABC-MCMC…

Methodology · Statistics 2016-08-16 Umberto Picchini , Rachele Anderson

In computer-aided engineering design, the goal of a designer is to find an optimal design on a given requirement using the numerical simulator in loop with an optimization method. In this design optimization process, a good design…

Machine Learning · Computer Science 2023-03-01 Harsh Vardhan , Peter Volgyesi , Janos Sztipanovits

The active learning (AL) technique, one of the state-of-the-art methods for constructing surrogate models, has shown high accuracy and efficiency in forward uncertainty quantification (UQ) analysis. This paper provides a comprehensive study…

Methodology · Statistics 2024-04-12 Maijia Su , Ziqi Wang , Oreste Salvatore Bursi , Marco Broccardo

In this work we explore the fundamental structure-adaptiveness of state of the art randomized first order algorithms on regularized empirical risk minimization tasks, where the solution has intrinsic low-dimensional structure (such as…

Optimization and Control · Mathematics 2017-12-13 Junqi Tang , Francis Bach , Mohammad Golbabaee , Mike Davies

We propose a Markov chain Monte Carlo (MCMC) scheme to perform state inference in non-linear non-Gaussian state-space models. Current state-of-the-art methods to address this problem rely on particle MCMC techniques and its variants, such…

Computation · Statistics 2019-05-15 Alexander Y. Shestopaloff , Arnaud Doucet

The cross-entropy (CE) method is a popular stochastic method for optimization due to its simplicity and effectiveness. Designed for rare-event simulations where the probability of a target event occurring is relatively small, the CE-method…

Machine Learning · Computer Science 2020-09-22 Robert J. Moss

We introduce a Markov Chain Monte Carlo (MCMC) method that is designed to sample from target distributions with irregular geometry using an adaptive scheme. In cases where targets exhibit non-Gaussian behaviour, we propose that adaption…

Computation · Statistics 2023-10-06 Ameer Dharamshi , Vivian Ngo , Jeffrey S. Rosenthal

Reachability analysis is a popular method to give safety guarantees for stochastic cyber-physical systems (SCPSs) that takes in a symbolic description of the system dynamics and uses set-propagation methods to compute an overapproximation…

Robotics · Computer Science 2024-07-17 Navid Hashemi , Lars Lindemann , Jyotirmoy V. Deshmukh

In this work, we propose a Model Predictive Control (MPC)-based Reinforcement Learning (RL) method for Autonomous Surface Vehicles (ASVs). The objective is to find an optimal policy that minimizes the closed-loop performance of a simplified…

Systems and Control · Electrical Eng. & Systems 2021-08-06 Wenqi Cai , Arash B. Kordabad , Hossein N. Esfahani , Anastasios M. Lekkas , Sebastien Gros

Variational inference is a powerful paradigm for approximate Bayesian inference with a number of appealing properties, including support for model learning and data subsampling. By contrast MCMC methods like Hamiltonian Monte Carlo do not…

Machine Learning · Statistics 2022-07-14 Martin Jankowiak , Du Phan

The reliability of kinetic Monte Carlo (KMC) simulations depends on accurate transition rates. The self-learning KMC method (Trushin et al 2005 Phys. Rev. B 72 115401) combines the accuracy of rates calculated from a realistic potential…

Materials Science · Physics 2013-01-01 A. Latz , L. Brendel , D. E. Wolf

Abstract Simulation platforms facilitate the development of emerging cyber-physical systems (CPS) like self-driving cars (SDC) because they are more efficient and less dangerous than field operational tests. Despite this, thoroughly testing…

Software Engineering · Computer Science 2021-11-09 Sajad Khatiri , Christian Birchler , Bill Bosshard , Alessio Gambi , Sebastiano Panichella

Machine learning (ML)-based cyber-physical systems (CPSs) have been extensively developed to improve the print quality of additive manufacturing (AM). However, the reproducibility of these systems, as presented in published research, has…

Computational Engineering, Finance, and Science · Computer Science 2024-10-23 Jiarui Xie , Mutahar Safdar , Andrei Mircea , Bi Cheng Zhao , Yan Lu , Hyunwoong Ko , Zhuo Yang , Yaoyao Fiona Zhao