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Hyperparameter tuning is an omnipresent problem in machine learning as it is an integral aspect of obtaining the state-of-the-art performance for any model. Most often, hyperparameters are optimized just by training a model on a grid of…

机器学习 · 计算机科学 2019-06-28 Hadi S. Jomaa , Josif Grabocka , Lars Schmidt-Thieme

To balance quality and cost, various domain areas of science and engineering run simulations at multiple levels of sophistication. Multi-fidelity active learning aims to learn a direct mapping from input parameters to simulation outputs at…

机器学习 · 计算机科学 2023-06-06 Dongxia Wu , Ruijia Niu , Matteo Chinazzi , Yian Ma , Rose Yu

A deep-learning-based surrogate model capable of predicting flow and geomechanical responses in CO2 storage operations is presented and applied. The 3D recurrent R-U-Net model combines deep convolutional and recurrent neural networks to…

机器学习 · 计算机科学 2021-05-05 Meng Tang , Xin Ju , Louis J. Durlofsky

We propose Active Surrogate Estimators (ASEs), a new method for label-efficient model evaluation. Evaluating model performance is a challenging and important problem when labels are expensive. ASEs address this active testing problem using…

机器学习 · 计算机科学 2022-10-20 Jannik Kossen , Sebastian Farquhar , Yarin Gal , Tom Rainforth

A multi-fidelity (MF) active learning method is presented for design optimization problems characterized by noisy evaluations of the performance metrics. Namely, a generalized MF surrogate model is used for design-space exploration,…

We propose VDL-Surrogate, a view-dependent neural-network-latent-based surrogate model for parameter space exploration of ensemble simulations that allows high-resolution visualizations and user-specified visual mappings. Surrogate-enabled…

图形学 · 计算机科学 2022-08-01 Neng Shi , Jiayi Xu , Haoyu Li , Hanqi Guo , Jonathan Woodring , Han-Wei Shen

Even though Active Learning (AL) is widely studied, it is rarely applied in contexts outside its own scientific literature. We posit that the reason for this is AL's high computational cost coupled with the comparatively small lifts it is…

机器学习 · 计算机科学 2025-08-04 Thorben Werner , Lars Schmidt-Thieme , Vijaya Krishna Yalavarthi

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

Deep Gaussian processes (DGPs) are increasingly popular as predictive models in machine learning (ML) for their non-stationary flexibility and ability to cope with abrupt regime changes in training data. Here we explore DGPs as surrogates…

统计方法学 · 统计学 2021-08-27 Annie Sauer , Robert B. Gramacy , David Higdon

Developing surrogates for computer models has become increasingly important for addressing complex problems in science and engineering. This article introduces an artificial intelligent (AI) surrogate, referred to as the DeepSurrogate, for…

统计方法学 · 统计学 2025-05-21 Yeseul Jeon , Rajarshi Guhaniyogi , Aaron Scheffler , Devin Francom , Donatella Pasqualini

We propose a supervised deep learning (DL) approach to perform adaptive zoning on time dependent partial differential equations that model the propagation of 1D shock waves in a compressible medium. We train a neural network on a dataset…

数值分析 · 数学 2023-01-31 Massimiliano Lupo Pasini , Luka Malenica , Kwitae Chong , Stuart Slattery

The advent of large language models (LLMs) capable of producing general-purpose representations lets us revisit the practicality of deep active learning (AL): By leveraging frozen LLM embeddings, we can mitigate the computational costs of…

计算与语言 · 计算机科学 2025-06-04 Lukas Rauch , Moritz Wirth , Denis Huseljic , Marek Herde , Bernhard Sick , Matthias Aßenmacher

Deep learning has proven to be effective in a wide variety of loss minimization problems. However, many applications of interest, like minimizing projected Bellman error and min-max optimization, cannot be modelled as minimizing a scalar…

机器学习 · 计算机科学 2025-05-27 Ryan D'Orazio , Danilo Vucetic , Zichu Liu , Junhyung Lyle Kim , Ioannis Mitliagkas , Gauthier Gidel

Active learning is a type of sequential design for supervised machine learning, in which the learning algorithm sequentially requests the labels of selected instances from a large pool of unlabeled data points. The objective is to produce a…

统计理论 · 数学 2019-11-14 Steve Hanneke , Liu Yang

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

Solving partial differential equations (PDEs) is a fundamental problem in science and engineering. While neural PDE solvers can be more efficient than established numerical solvers, they often require large amounts of training data that is…

机器学习 · 计算机科学 2025-03-25 Daniel Musekamp , Marimuthu Kalimuthu , David Holzmüller , Makoto Takamoto , Mathias Niepert

With the advancing capabilities of computational methodologies and resources, ultra-large-scale virtual screening via molecular docking has emerged as a prominent strategy for in silico hit discovery. Given the exhaustive nature of…

机器学习 · 计算机科学 2024-06-21 Jeonghyeon Kim , Juno Nam , Seongok Ryu

Deep Learning (DL) is increasingly used in safety-critical applications, raising concerns about its reliability. DL suffers from a well-known problem of lacking robustness, especially when faced with adversarial perturbations known as…

软件工程 · 计算机科学 2023-09-06 Wei Huang , Xingyu Zhao , Alec Banks , Victoria Cox , Xiaowei Huang

This article proposes a model-based deep reinforcement learning (DRL) method to design emergency control strategies for short-term voltage stability problems in power systems. Recent advances show promising results in model-free DRL-based…

系统与控制 · 电气工程与系统科学 2022-12-07 Ramij R. Hossain , Tianzhixi Yin , Yan Du , Renke Huang , Jie Tan , Wenhao Yu , Yuan Liu , Qiuhua Huang

Many engineering applications rely on the evaluation of expensive, non-linear high-dimensional functions. In this paper, we propose the RONAALP algorithm (Reduced Order Nonlinear Approximation with Active Learning Procedure) to…

流体动力学 · 物理学 2023-11-20 Clément Scherding , Georgios Rigas , Denis Sipp , Peter J Schmid , Taraneh Sayadi