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The topology optimization of artificial neural networks can be particularly difficult if the fitness evaluations require expensive experiments or simulations. For that reason, the optimization methods may need to be supported by surrogate…

Neural and Evolutionary Computing · Computer Science 2018-07-23 Jörg Stork , Martin Zaefferer , Thomas Bartz-Beielstein

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…

Machine Learning · Computer Science 2024-10-03 A. O. M. Kilicsoy , J. Liedmann , M. A. Valdebenito , F. -J. Barthold , M. G. R. Faes

We present a reduced-order surrogate model of gravitational waveforms from non-spinning binary black hole systems with comparable to large mass-ratio configurations. This surrogate model, \texttt{BHPTNRSur1dq1e4}, is trained on waveform…

General Relativity and Quantum Cosmology · Physics 2022-11-23 Tousif Islam , Scott E. Field , Scott A. Hughes , Gaurav Khanna , Vijay Varma , Matthew Giesler , Mark A. Scheel , Lawrence E. Kidder , Harald P. Pfeiffer

This paper presents a particle swarm optimization algorithm that leverages surrogate modeling to replace the conventional global best solution with the minimum of an n-dimensional quadratic form, providing a better-conditioned dynamic…

Neural and Evolutionary Computing · Computer Science 2026-03-19 Maurizio Clemente , Marcello Canova

In astrophysical simulations, nuclear reacting flows pose computational challenges due to the stiffness of reaction networks. We introduce neural network-based surrogate models using the DeePODE framework to enhance simulation efficiency…

Instrumentation and Methods for Astrophysics · Physics 2025-10-14 Xiaoyu Zhang , Yuxiao Yi , Lile Wang , Zhi-Qin John Xu , Tianhan Zhang , Yao Zhou

Surrogate models driven by sizeable datasets and scientific machine-learning methods have emerged as an attractive microstructure simulation tool with the potential to deliver predictive microstructure evolution dynamics with huge savings…

Materials Science · Physics 2024-01-22 Shaoxun Fan , Andrew L. Hitt , Ming Tang , Babak Sadigh , Fei Zhou

Recently, artificial neural networks have been gaining momentum in the field of gravitational wave astronomy, for example in surrogate modelling of computationally expensive waveform models for binary black hole inspiral and merger.…

We propose a novel \textit{capsule} based deep encoder-decoder model for surrogate modeling and uncertainty quantification of systems in mechanics from sparse data. The proposed framework is developed by adapting Capsule Network (CapsNet)…

Machine Learning · Statistics 2022-01-20 Akshay Thakur , Souvik Chakraborty

Transmission expansion planning (TEP) plays a critical role in ensuring power system reliability and facilitating the integration of renewable energy resources. However, this process requires planners to constantly deal with significant…

Systems and Control · Electrical Eng. & Systems 2026-04-21 Victor Schmitt , Farzaneh Pourahmadi , Angela Flores-Quiroz , Pablo Apablaza , Pierluigi Mancarella

Efficient surrogate modelling is a key requirement for uncertainty quantification in data-driven scenarios. In this work, a novel approach of using Sparse Random Features for surrogate modelling in combination with self-supervised…

Machine Learning · Computer Science 2023-01-02 Maternus Herold , Anna Veselovska , Jonas Jehle , Felix Krahmer

The training of Binary Neural Networks (BNNs) is fundamentally based on gradient approximation for non-differentiable binarization operations (e.g., sign function). However, prevailing methods including the Straight-Through Estimator (STE)…

Machine Learning · Computer Science 2026-05-26 Haoyu Huang , Boyu Liu , Linlin Yang , Yanjing Li , Yuguang Yang , Xuhui Liu , Canyu Chen , Zhongqian Fu , Baochang Zhang

Many real-world systems are modelled using complex ordinary differential equations (ODEs). However, the dimensionality of these systems can make them challenging to analyze. Dimensionality reduction techniques like Proper Orthogonal…

Computational Engineering, Finance, and Science · Computer Science 2025-02-26 Abhishek Ajayakumar , Soumyendu Raha

Many physics and engineering applications demand Partial Differential Equations (PDE) property evaluations that are traditionally computed with resource-intensive high-fidelity numerical solvers. Data-driven surrogate models provide an…

Machine Learning · Computer Science 2023-12-18 Raphaël Pestourie , Youssef Mroueh , Chris Rackauckas , Payel Das , Steven G. Johnson

Simulating the mechanical response of advanced materials can be done more accurately using concurrent multiscale models than with single-scale simulations. However, the computational costs stand in the way of the practical application of…

Machine Learning · Computer Science 2024-02-21 J. Storm , I. B. C. M. Rocha , F. P. van der Meer

We address the problem of training models with black-box and hard-to-optimize metrics by expressing the metric as a monotonic function of a small number of easy-to-optimize surrogates. We pose the training problem as an optimization over a…

Machine Learning · Computer Science 2020-02-21 Qijia Jiang , Olaoluwa Adigun , Harikrishna Narasimhan , Mahdi Milani Fard , Maya Gupta

This work focuses on learning deep visual representation models for retrieval by exploring the interplay between a new loss function, the batch size, and a new regularization approach. Direct optimization, by gradient descent, of an…

Computer Vision and Pattern Recognition · Computer Science 2022-03-28 Yash Patel , Giorgos Tolias , Jiri Matas

The performance of deep neural networks crucially depends on good hyperparameter configurations. Bayesian optimization is a powerful framework for optimizing the hyperparameters of DNNs. These methods need sufficient evaluation data to…

Machine Learning · Computer Science 2021-07-22 Yang Li , Jiawei Jiang , Yingxia Shao , Bin Cui

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.…

Machine Learning · Statistics 2022-08-30 Arnaud Delaunoy , Joeri Hermans , François Rozet , Antoine Wehenkel , Gilles Louppe

Surrogate models for partial-differential equations are widely used in the design of meta-materials to rapidly evaluate the behavior of composable components. However, the training cost of accurate surrogates by machine learning can rapidly…

Machine Learning · Computer Science 2020-11-04 Raphaël Pestourie , Youssef Mroueh , Thanh V. Nguyen , Payel Das , Steven G. Johnson

Highly accurate datasets from numerical or physical experiments are often expensive and time-consuming to acquire, posing a significant challenge for applications that require precise evaluations, potentially across multiple scenarios and…

Machine Learning · Computer Science 2026-02-06 Paolo Conti , Mengwu Guo , Attilio Frangi , Andrea Manzoni