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Engineers widely use Gaussian process regression framework to construct surrogate models aimed to replace computationally expensive physical models while exploring design space. Thanks to Gaussian process properties we can use both samples…

Machine Learning · Statistics 2017-07-14 Evgeny Burnaev , Alexey Zaytsev

We create an data-efficient and accurate surrogate model for structure-property linkages of spinodoid metamaterials with only 75 data points -- far fewer than the several thousands used in prior works -- and demonstrate its use in…

Computational Engineering, Finance, and Science · Computer Science 2025-05-12 Max Rosenkranz , Markus Kästner , Ivo F. Sbalzarini

We present a graph neural network (GNN) based surrogate framework for molecular dynamics simulations that directly predicts atomic displacements and learns the underlying evolution operator of an atomistic system. Unlike conventional…

Materials Science · Physics 2025-12-29 Judah Immanuel , Avik Mahata , Aniruddha Maiti

Driven by the need to accelerate numerical simulations, the use of machine learning techniques is rapidly growing in the field of computational solid mechanics. Their application is especially advantageous in concurrent multiscale finite…

Numerical Analysis · Mathematics 2023-03-22 M. A. Maia , I. B. C. M. Rocha , P. Kerfriden , F. P. van der Meer

For many novel applications, such as patient-specific computer-aided surgery, conventional solution techniques of the underlying nonlinear problems are usually computationally too expensive and are lacking information about how certain can…

Machine Learning · Computer Science 2022-07-18 Saurabh Deshpande , Jakub Lengiewicz , Stéphane P. A. Bordas

Simulation techniques such as the finite element method are essential for designing electrical devices, but their computational cost can be prohibitive for repeated or real-time computations. Projection-based model order reduction…

Computational Engineering, Finance, and Science · Computer Science 2026-01-27 Matteo Zorzetto , Merle Backmeyer , Michael Wiesheu , Riccardo Torchio , Fabrizio Dughiero , Sebastian Schöps

Simulations of optical quantum systems are essential for the development of quantum technologies. However, these simulations are often computationally intensive, especially when repeated evaluations are required for data fitting, parameter…

The energy management problem in the context of smart grids is inherently complex due to the interdependencies among diverse system components. Although Reinforcement Learning (RL) has been proposed for solving Optimal Power Flow (OPF)…

Machine Learning · Computer Science 2026-02-24 Abeer Alsheikhi , Amirfarhad Farhadi , Azadeh Zamanifar

Deep learning and model predictive control (MPC) can play complementary roles in legged robotics. However, integrating learned models with online planning remains challenging. When dynamics are learned with neural networks, three key…

Robotics · Computer Science 2026-01-21 Samuel A. Moore , Easop Lee , Boyuan Chen

Data-driven neural networks are increasingly used as surrogate forward models in geophysics, but it remains unclear whether they recover only the data mapping or also the underlying physical sensitivity structure. Here we test this question…

Machine Learning · Computer Science 2026-04-07 Ziye Yu , Yuqi Cai , Xin Liu

With the digitalization of power grids, physical equations become insufficient to describe the network's behavior, and realistic but time-consuming simulators must be used. Numerical experiments, such as safety validation, that involve…

Machine Learning · Computer Science 2025-05-01 Pierre Houdouin , Lucas Saludjian

Gradient-based optimization is now ubiquitous across graphics, but unfortunately can not be applied to problems with undefined or zero gradients. To circumvent this issue, the loss function can be manually replaced by a ``surrogate'' that…

Computer Vision and Pattern Recognition · Computer Science 2024-05-08 Michael Fischer , Tobias Ritschel

Automatically designing fast and space-efficient digital circuits is challenging because circuits are discrete, must exactly implement the desired logic, and are costly to simulate. We address these challenges with CircuitVAE, a search…

Machine Learning · Computer Science 2024-06-17 Jialin Song , Aidan Swope , Robert Kirby , Rajarshi Roy , Saad Godil , Jonathan Raiman , Bryan Catanzaro

The spatiotemporal resolution of Partial Differential Equations (PDEs) plays important roles in the mathematical description of the world's physical phenomena. In general, scientists and engineers solve PDEs numerically by the use of…

Artificial Intelligence · Computer Science 2023-06-29 Lucas Meyer , Marc Schouler , Robert Alexander Caulk , Alejandro Ribés , Bruno Raffin

The development of a reliable and robust surrogate model is often constrained by the dimensionality of the problem. For a system with high-dimensional inputs/outputs (I/O), conventional approaches usually use a low-dimensional manifold to…

Image and Video Processing · Electrical Eng. & Systems 2020-10-01 Xihaier Luo , Ahsan Kareem

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

We examine the potential for using the LIGO-Virgo-KAGRA network of gravitational-wave detectors to provide constraints on the physical properties of core-collapse supernovae through the observation of their gravitational radiation. We use…

High Energy Astrophysical Phenomena · Physics 2023-02-23 Gergely Dálya , Sibe Bleuzé , Bence Bécsy , Rafael S. de Souza , Tamás Szalai

Graphical models are widely used in science to represent joint probability distributions with an underlying conditional dependence structure. The inverse problem of learning a discrete graphical model given i.i.d samples from its joint…

Machine Learning · Computer Science 2020-12-24 Abhijith J. , Andrey Y. Lokhov , Sidhant Misra , Marc Vuffray

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…

Neural and Evolutionary Computing · Computer Science 2019-05-06 Emre O. Neftci , Hesham Mostafa , Friedemann Zenke

In many neuromorphic workflows, simulators play a vital role for important tasks such as training spiking neural networks (SNNs), running neuroscience simulations, and designing, implementing and testing neuromorphic algorithms. Currently…

Neural and Evolutionary Computing · Computer Science 2023-05-05 Prasanna Date , Chathika Gunaratne , Shruti Kulkarni , Robert Patton , Mark Coletti , Thomas Potok