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The performance of machine learning surrogates is critically dependent on data quality and quantity. This presents a major challenge, as high-fidelity (HF) data is often scarce and computationally expensive to acquire, while low-fidelity…

Machine Learning · Computer Science 2026-02-03 Jice Zeng , David Barajas-Solano , Hui Chen

Despite achieving great success, Deep Neural Networks (DNNs) are vulnerable to adversarial examples. How to accurately evaluate the adversarial robustness of DNNs is critical for their deployment in real-world applications. An ideal…

Machine Learning · Computer Science 2022-04-12 Pengfei Xia , Ziqiang Li , Bin Li

Surrogate models are used to alleviate the computational burden in engineering tasks, which require the repeated evaluation of computationally demanding models of physical systems, such as the efficient propagation of uncertainties. For…

Machine Learning · Statistics 2022-09-28 Felix Schneider , Iason Papaioannou , Gerhard Müller

The term `surrogate modeling' in computational science and engineering refers to the development of computationally efficient approximations for expensive simulations, such as those arising from numerical solution of partial differential…

Numerical Analysis · Mathematics 2022-08-12 Maarten V. de Hoop , Daniel Zhengyu Huang , Elizabeth Qian , Andrew M. Stuart

The transition of the power grid requires new technologies and methodologies, which can only be developed and tested in simulations. Especially larger simulation setups with many levels of detail can become quite slow. Therefore, the number…

Signal Processing · Electrical Eng. & Systems 2020-06-23 Stephan Balduin , Tom Westermann , Erika Puiutta

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…

Systems and Control · Electrical Eng. & Systems 2024-10-24 Matthew Bossart , Jose Daniel Lara , Ciaran Roberts , Rodrigo Henriquez-Auba , Duncan Callaway , Bri-Mathias Hodge

Discrete choice models are fundamental tools in management science, economics, and marketing for understanding and predicting decision-making. Logit-based models are dominant in applied work, largely due to their convenient closed-form…

Methodology · Statistics 2026-04-06 Easton Huch , Michael Keane

Graph representation learning is a fundamental problem for modeling relational data and benefits a number of downstream applications. Traditional Bayesian-based graph models and recent deep learning based GNN either suffer from…

Machine Learning · Computer Science 2024-03-27 Hanxuan Yang , Qingchao Kong , Wenji Mao

I propose a novel framework that integrates stochastic differential equations (SDEs) with deep generative models to improve uncertainty quantification in machine learning applications involving structured and temporal data. This approach,…

Machine Learning · Statistics 2026-01-09 James Rice

Rule-based surrogate models are an effective and interpretable way to approximate a Deep Neural Network's (DNN) decision boundaries, allowing humans to easily understand deep learning models. Current state-of-the-art decompositional…

Machine Learning · Computer Science 2023-04-12 Konstantin Hemker , Zohreh Shams , Mateja Jamnik

In this paper, we propose Stochastic Block-ADMM as an approach to train deep neural networks in batch and online settings. Our method works by splitting neural networks into an arbitrary number of blocks and utilizes auxiliary variables to…

Machine Learning · Computer Science 2021-05-04 Saeed Khorram , Xiao Fu , Mohamad H. Danesh , Zhongang Qi , Li Fuxin

In decision-making problems under uncertainty, predicting unknown parameters is often considered independent of the optimization part. Decision-focused learning (DFL) is a task-oriented framework that integrates prediction and optimization…

Machine Learning · Computer Science 2025-02-11 Haeun Jeon , Hyunglip Bae , Minsu Park , Chanyeong Kim , Woo Chang Kim

Numerically solving a large parametric nonlinear dynamical system is challenging due to its high complexity and the high computational costs. In recent years, machine-learning-aided surrogates are being actively researched. However, many…

Machine Learning · Computer Science 2024-10-18 Shuwen Sun , Lihong Feng , Peter Benner

Generative adversarial nets (GANs) are widely used to learn the data sampling process and their performance may heavily depend on the loss functions, given a limited computational budget. This study revisits MMD-GAN that uses the maximum…

Machine Learning · Computer Science 2019-02-11 Wei Wang , Yuan Sun , Saman Halgamuge

The Riemann problem is fundamental in the computational modeling of hyperbolic partial differential equations, enabling the development of stable and accurate upwind schemes. While exact solvers provide robust upwinding fluxes, their high…

Numerical Analysis · Mathematics 2025-11-26 Akshay Thakur , Matthew J. Zahr

We propose a deep neural network (DNN) as a fast surrogate model for local stress (and in principle strain) calculation in inhomogeneous non-linear material systems. We show that the DNN predicts the local stresses with about 3.8% mean…

Materials Science · Physics 2021-03-17 Jaber Rezaei Mianroodi , Nima H. Siboni , Dierk Raabe

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…

Methodology · Statistics 2025-09-15 Jocelyn Minini , Micha Wasem

Stochastic Gradient Descent (SGD) is an important algorithm in machine learning. With constant learning rates, it is a stochastic process that, after an initial phase of convergence, generates samples from a stationary distribution. We show…

Machine Learning · Statistics 2017-09-12 Stephan Mandt , Matthew D. Hoffman , David M. Blei

Spectral functions encode key many-body information but are costly to compute with high fidelity. Machine-learning surrogates have emerged as a powerful alternative, yet many approaches require large training datasets. We develop a…

Strongly Correlated Electrons · Physics 2026-05-08 Sanket Jantre , Nathan M. Urban , Weiguo Yin , Niraj Aryal

In this paper, we consider a general stochastic optimization problem which is often at the core of supervised learning, such as deep learning and linear classification. We consider a standard stochastic gradient descent (SGD) method with a…

Machine Learning · Statistics 2018-12-27 Lam M. Nguyen , Nam H. Nguyen , Dzung T. Phan , Jayant R. Kalagnanam , Katya Scheinberg