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Active learning (AL) has emerged as a powerful paradigm for accelerating materials discovery by iteratively steering experiments toward promising candidates, reducing the number of costly synthesis-and-characterization cycles needed to…

Materials Science · Physics 2026-03-25 Jeffrey Hu , Rongzhi Dong , Ying Feng , Ming Hu , Jianjun Hu

A novel design optimization approach (ActivO) that employs an ensemble of machine learning algorithms is presented. The proposed approach is a surrogate-based scheme, where the predictions of a weak leaner and a strong learner are utilized…

Machine Learning · Computer Science 2021-01-06 Opeoluwa Owoyele , Pinaki Pal

Federated learning (FL) faces persistent robustness challenges due to non-IID data distributions and adversarial client behavior. A promising mitigation strategy is contribution evaluation, which enables adaptive aggregation by quantifying…

Machine Learning · Computer Science 2025-10-01 Guojun Tang , Jiayu Zhou , Mohammad Mamun , Steve Drew

Recent advancements in Markov chain Monte Carlo (MCMC) sampling and surrogate modelling have significantly enhanced the feasibility of Bayesian analysis across engineering fields. However, the selection and integration of surrogate models…

Computational Physics · Physics 2024-11-22 Leon Riccius , Iuri B. C. M. Rocha , Joris Bierkens , Hanne Kekkonen , Frans P. van der Meer

Traditional methods for black box optimization require a considerable number of evaluations which can be time consuming, unpractical, and often unfeasible for many engineering applications that rely on accurate representations and expensive…

Machine Learning · Computer Science 2020-07-10 Francesco Grassi , Giorgio Manganini , Michele Garraffa , Laura Mainini

Derivative-Free Optimization (DFO) involves methods that rely solely on evaluations of the objective function. One of the earliest strategies for designing DFO methods is to adapt first-order methods by replacing gradients with…

Optimization and Control · Mathematics 2025-02-12 Timothé Taminiau , Estelle Massart , Geovani Nunes Grapiglia

Inspired by multi-fidelity methods in computer simulations, this article introduces procedures to design surrogates for the input/output relationship of a high-fidelity code. These surrogates should be learned from runs of both the…

Numerical Analysis · Mathematics 2024-06-21 Simon Foucart , Nicolas Hengartner

Surrogate models are used for global approximation of responses generated by expensive computer experiments like CFD applications. In this paper, we make use of structural similarities which are shared by a class of related problems. We…

Numerical Analysis · Mathematics 2012-06-20 Benjamin Rosenbaum , Volker Schulz

Federated learning (FL) and federated distillation (FD) are distributed learning paradigms that train UE models with enhanced privacy, each offering different trade-offs between noise robustness and learning speed. To mitigate their…

Machine Learning · Computer Science 2026-01-09 Yongjun Kim , Hyeongjun Park , Hwanjin Kim , Junil Choi

To address the challenges posed by the heterogeneity inherent in federated learning (FL) and to attract high-quality clients, various incentive mechanisms have been employed. However, existing incentive mechanisms are typically utilized in…

Machine Learning · Computer Science 2023-10-11 Danni Yang , Yun Ji , Zhoubin Kou , Xiaoxiong Zhong , Sheng Zhang

Federated Learning is a popular distributed learning paradigm in machine learning. Meanwhile, composition optimization is an effective hierarchical learning model, which appears in many machine learning applications such as meta learning…

Machine Learning · Computer Science 2023-03-31 Feihu Huang

We present a new dimension reduction method called the global active subspace method. The method uses expected values of finite differences of the underlying function to identify the important directions, and builds a surrogate model using…

General Mathematics · Mathematics 2024-10-22 Ruilong Yue , Giray Ökten

Image-based computational fluid dynamics (CFD) modeling enables derivation of hemodynamic information, which has become a paradigm in cardiovascular research and healthcare. Nonetheless, the predictive accuracy largely depends on precisely…

Fluid Dynamics · Physics 2021-07-20 Han Gao , Xueyu Zhu , Jian-Xun Wang

Randomizing the Fourier-transform (FT) phases of temporal-spatial data generates surrogates that approximate examples from the data-generating distribution. We propose such FT surrogates as a novel tool to augment and analyze training of…

Signal Processing · Electrical Eng. & Systems 2019-01-29 Justus T. C. Schwabedal , John C. Snyder , Ayse Cakmak , Shamim Nemati , Gari D. Clifford

A new Micro-Macro-Surrogate (MMS) hybrid method is presented that couples the Direct Simulation Monte Carlo (DSMC) method with Computational Fluid Dynamics (CFD) to simulate low-speed rarefied gas flows. The proposed MMS method incorporates…

Federated Learning (FL) enables collaborative model training across distributed devices while preserving data privacy. Nonetheless, the heterogeneity of edge devices often leads to inconsistent performance of the globally trained models,…

Machine Learning · Computer Science 2025-05-13 Lin Wang , Zhichao Wang , Ye Shi , Sai Praneeth Karimireddy , Xiaoying Tang

Microstructure evolution, which plays a critical role in determining materials properties, is commonly simulated by the high-fidelity but computationally expensive phase-field method. To address this, we approximate microstructure evolution…

Materials Science · Physics 2024-11-22 Saurabh Tiwari , Prathamesh Satpute , Supriyo Ghosh

Federated learning (FL) suffers from performance degradation due to the inevitable presence of noisy annotations in distributed scenarios. Existing approaches have advanced in distinguishing noisy samples from the dataset for label…

Machine Learning · Computer Science 2026-04-01 Tian Wen , Zhiqin Yang , Yonggang Zhang , Xuefeng Jiang , Hao Peng , Yuwei Wang , Bo Han

In many practical cases, a sensitivity analysis or an optimization of a complex time consuming computer code requires to build a fast running approximation of it - also called surrogate model. We consider in this paper the problem of…

Statistics Theory · Mathematics 2013-01-14 Loic Le Gratiet

Surrogate models are widely used in mechanical design and manufacturing process optimization, where high-fidelity computational models may be unavailable or prohibitively expensive. Their effectiveness, however, is often limited by data…

Machine Learning · Computer Science 2026-03-03 Bingran Wang , Seongha Jeong , Sebastiaan P. C. van Schie , Dongyeon Han , Jaeho Min , John T. Hwang
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