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Learning data representations under uncertainty is an important task that emerges in numerous scientific computing and data analysis applications. However, uncertainty quantification techniques are computationally intensive and become…

Fast surrogate modeling for high-dimensional physical dynamics requires more than low short-term error: useful models must roll out efficiently while preserving the statistical structure of long trajectories. Neural operators provide…

机器学习 · 计算机科学 2026-05-08 Tianyue Yang , Xiao Xue

We introduce the concept of decision-focused surrogate modeling for solving computationally challenging nonlinear optimization problems in real-time settings. The proposed data-driven framework seeks to learn a simpler, e.g. convex,…

最优化与控制 · 数学 2023-12-27 Rishabh Gupta , Qi Zhang

The design of biological systems is hindered by uncertainty arising from both intrinsic stochasticity of biomolecular reactions and variability across laboratory or experimental conditions. In this work, we present a sequential framework to…

机器学习 · 计算机科学 2026-05-08 Michal Kobiela , Diego A. Oyarzún , Michael U. Gutmann

Simulation-based problems involving mixed-variable inputs frequently feature domains that are hierarchical, conditional, heterogeneous, or tree-structured. These characteristics pose challenges for data representation, modeling, and…

机器学习 · 计算机科学 2026-01-21 Paul Saves , Edward Hallé-Hannan , Jasper Bussemaker , Youssef Diouane , Nathalie Bartoli

In the last few years, energy efficiency has become a challenge. Not only mitigating environmental impact but reducing energy waste can lead to financial advantages. Buildings play an important role in this: they are among the biggest…

系统与控制 · 电气工程与系统科学 2026-01-30 B. da Costa Paulo , N. Aginako , J. Ugartemendia , I. Landa del Barrio , M. Quartulli , H. Camblong

We present an algorithm for the stochastic simulation of gene expression and heterogeneous population dynamics. The algorithm combines an exact method to simulate molecular-level fluctuations in single cells and a constant-number Monte…

计算物理 · 物理学 2016-08-24 Daniel A. Charlebois , Jukka Intosalmi , Dawn Fraser , Mads Kaern

This paper introduces a practical sampling method for training surrogate models in the context of uncertainty propagation. We propose a heuristic method to uniformly draw samples within highest density regions of the density given by the…

统计方法学 · 统计学 2025-09-15 Jocelyn Minini , Micha Wasem

In many areas of science and engineering, computer simulations are widely used as proxies for physical experiments, which can be infeasible or unethical. Such simulations can often be computationally expensive, and an emulator can be…

机器学习 · 统计学 2023-02-03 Tao Tang , Simon Mak , David Dunson

Stochastic simulators are ubiquitous in many fields of applied sciences and engineering. In the context of uncertainty quantification and optimization, a large number of simulations is usually necessary, which becomes intractable for…

统计计算 · 统计学 2022-02-09 X. Zhu , B. Sudret

Stochastic collocation (SC) is a well-known non-intrusive method of constructing surrogate models for uncertainty quantification. In dynamical systems, SC is especially suited for full-field uncertainty propagation that characterizes the…

数值分析 · 数学 2023-10-18 Saibal De , Reese E. Jones , Hemanth Kolla

The central task in modeling complex dynamical systems is parameter estimation. This task involves numerous evaluations of a computationally expensive objective function. Surrogate-based optimization introduces a computationally efficient…

机器学习 · 计算机科学 2019-12-19 Žiga Lukšič , Jovan Tanevski , Sašo Džeroski , Ljupčo Todorovski

The dominant paradigm for power system dynamic simulation is to build system-level simulations by combining physics-based models of individual components. The sheer size of the system along with the rapid integration of inverter-based…

系统与控制 · 电气工程与系统科学 2024-10-24 Matthew Bossart , Jose Daniel Lara , Ciaran Roberts , Rodrigo Henriquez-Auba , Duncan Callaway , Bri-Mathias Hodge

This study proposes a new discrete neural operator for surrogate modeling of transient Darcy flow fields in heterogeneous porous media with random parameters. The new method integrates temporal encoding, operator learning and UNet to…

数值分析 · 数学 2025-12-04 Zhenglong Chen , Zhao Zhang , Xia Yan , Jiayu Zhai , Piyang Liu , Kai Zhang

Surrogate models based on machine learning methods have become an important part of modern engineering to replace costly computer simulations. The data used for creating a surrogate model are essential for the model accuracy and often…

机器学习 · 统计学 2023-10-03 Sven Lämmle , Can Bogoclu , Kevin Cremanns , Dirk Roos

The non-equilibrium dynamics of mesoscale phase transitions are fundamentally shaped by thermal fluctuations, which not only seed instabilities but actively control kinetic pathways, including rare barrier-crossing events such as nucleation…

计算物理 · 物理学 2026-04-14 Luning Sun , Van Hai Nguyen , Shusen Liu , John Klepeis , Fei Zhou

Coastal communities face significant risk from storm-induced coastal flooding, which causes substantial societal and economic losses worldwide. Machine learning techniques have increasingly been integrated into coastal hazard modeling,…

大气与海洋物理 · 物理学 2025-12-19 Ziyue Liu , Mohammad Ahmadi Gharehtoragh , Brenna Kari Losch , David R. Johnson

Gaussian process surrogates are a popular alternative to directly using computationally expensive simulation models. When the simulation output consists of many responses, dimension-reduction techniques are often employed to construct these…

统计方法学 · 统计学 2023-05-04 Moses Y-H. Chan , Matthew Plumlee , Stefan M. Wild

Surrogate models are effective tools for accelerated design of complex systems. The result of a design optimization procedure using surrogate models can be used to initialize an optimization routine using the full order system. High…

计算工程、金融与科学 · 计算机科学 2025-01-15 Anas Abdelrehim , Dhairya Gandhi , Sharan Yalburgi , Ashutosh Bharambe , Ranjan Anantharaman , Chris Rackauckas

The integration of Reinforcement Learning (RL) and Evolutionary Algorithms (EAs) aims at simultaneously exploiting the sample efficiency as well as the diversity and robustness of the two paradigms. Recently, hybrid learning frameworks…

神经与进化计算 · 计算机科学 2022-11-08 Yuxing Wang , Tiantian Zhang , Yongzhe Chang , Bin Liang , Xueqian Wang , Bo Yuan