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Modern approaches for simulation-based inference rely upon deep learning surrogates to enable approximate inference with computer simulators. In practice, the estimated posteriors' computational faithfulness is, however, rarely guaranteed.…

机器学习 · 统计学 2022-08-30 Arnaud Delaunoy , Joeri Hermans , François Rozet , Antoine Wehenkel , Gilles Louppe

Partial differential equations (PDEs) are a central tool for modeling the dynamics of physical, engineering, and materials systems, but high-fidelity simulations are often computationally expensive. At the same time, many scientific…

机器学习 · 计算机科学 2026-01-14 Binh Duong Nguyen , Stefan Sandfeld

In multi-objective design tasks, the computational cost increases rapidly when high-fidelity simulations are used to evaluate objective functions. Surrogate models help mitigate this cost by approximating the simulation output, simplifying…

应用统计 · 统计学 2025-06-03 Omer F. Erdem , David P. Broughton , Josef Svoboda , Chengkun Huang , Majdi I. Radaideh

Differential equations parameterized by neural networks become expensive to solve numerically as training progresses. We propose a remedy that encourages learned dynamics to be easier to solve. Specifically, we introduce a differentiable…

机器学习 · 计算机科学 2020-10-26 Jacob Kelly , Jesse Bettencourt , Matthew James Johnson , David Duvenaud

We introduce a method to construct a stochastic surrogate model from the results of dimensionality reduction in forward uncertainty quantification. The hypothesis is that the high-dimensional input augmented by the output of a computational…

应用统计 · 统计学 2026-02-12 Jungho Kim , Sang-ri Yi , Ziqi Wang

The goal of this paper is to make Optimal Experimental Design (OED) computationally feasible for problems involving significant computational expense. We focus exclusively on the Mean Objective Cost of Uncertainty (MOCU), which is a…

最优化与控制 · 数学 2020-12-09 Anthony M. DeGennaro , Francis J. Alexander

In the context of optimization approaches to engineering applications, time-consuming simulations are often utilized which can be configured to deliver solutions for various levels of accuracy, commonly referred to as different fidelity…

计算工程、金融与科学 · 计算机科学 2022-05-17 Sander van Rijn , Sebastian Schmitt , Matthijs van Leeuwen , Thomas Bäck

In this contribution, we develop an efficient surrogate modeling framework for simulation-based optimization of enhanced oil recovery, where we particularly focus on polymer flooding. The computational approach is based on an adaptive…

Multi-fidelity methods leverage low-cost surrogate models to speed up computations and make occasional recourse to expensive high-fidelity models to establish accuracy guarantees. Because surrogate and high-fidelity models are used…

数值分析 · 数学 2021-09-14 Terrence Alsup , Benjamin Peherstorfer

Multiscale modeling is an effective approach for investigating multiphysics systems with largely disparate size features, where models with different resolutions or heterogeneous descriptions are coupled together for predicting the system's…

计算工程、金融与科学 · 计算机科学 2022-12-07 Minglang Yin , Enrui Zhang , Yue Yu , George Em Karniadakis

The ongoing development of quantum processors is driving breakthroughs in scientific discovery. Despite this progress, the formidable cost of fabricating large-scale quantum processors means they will remain rare for the foreseeable future,…

量子物理 · 物理学 2025-07-24 Wei-You Liao , Yuxuan Du , Xinbiao Wang , Tian-Ci Tian , Yong Luo , Bo Du , Dacheng Tao , He-Liang Huang

A surrogate model that accurately predicts distribution system voltages is crucial for reliable smart grid planning and operation. This letter proposes a fixed-point data-driven surrogate modeling method that employs a limited dataset to…

系统与控制 · 电气工程与系统科学 2024-01-01 Hoang Tien Nguyen , Young-Jin Kim , Dae-Hyun Choi

Accurate surrogate construction for PDE-driven high-dimensional rare-event simulation is challenging when performance evaluations are expensive. Since a globally accurate surrogate may require many high-fidelity evaluations, adaptive…

数值分析 · 数学 2026-05-18 Zhiwei Gao , George Karniadakis

Predicting model performance at larger scales enables the design of training strategies and architectures tailored to specific performance targets. Empirical scaling law research identifies functional forms to aid this prediction task.…

机器学习 · 计算机科学 2026-05-26 Viktoria Schram , Markus Hiller , Daniel Beck , Trevor Cohn

Neural networks have promise as surrogate partial differential equation (PDE) solvers, but it remains a challenge to use these concepts to solve problems with high accuracy and scalability. In this work, we show that neural network…

计算物理 · 物理学 2025-09-05 Chenkai Mao , Jonathan A. Fan

Spiking neural networks are nature's versatile solution to fault-tolerant and energy efficient signal processing. To translate these benefits into hardware, a growing number of neuromorphic spiking neural network processors attempt to…

神经与进化计算 · 计算机科学 2019-05-06 Emre O. Neftci , Hesham Mostafa , Friedemann Zenke

Areas of computational mechanics such as uncertainty quantification and optimization usually involve repeated evaluation of numerical models that represent the behavior of engineering systems. In the case of complex nonlinear systems…

机器学习 · 计算机科学 2024-10-03 A. O. M. Kilicsoy , J. Liedmann , M. A. Valdebenito , F. -J. Barthold , M. G. R. Faes

The widespread adoption of machine learning surrogate models has significantly improved the scale and complexity of systems and processes that can be explored accurately and efficiently using atomistic modeling. However, the inherently…

化学物理 · 物理学 2025-03-13 Federico Grasselli , Sanggyu Chong , Venkat Kapil , Silvia Bonfanti , Kevin Rossi

The deep operator networks (DeepONet), a class of neural operators that learn mappings between function spaces, have recently been developed as surrogate models for parametric partial differential equations (PDEs). In this work we propose a…

机器学习 · 计算机科学 2024-10-31 Yuan Qiu , Nolan Bridges , Peng Chen

Machine learning (ML) surrogate models are increasingly used in engineering analysis and design to replace computationally expensive simulation models, significantly reducing computational cost and accelerating decision-making processes.…

机器学习 · 统计学 2025-07-22 Xiaoping Du
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