English
Related papers

Related papers: Toward using explainable data-driven surrogate mod…

200 papers

Solving multiphysics-based inverse problems for geological carbon storage monitoring can be challenging when multimodal time-lapse data are expensive to collect and costly to simulate numerically. We overcome these challenges by combining…

Geophysics · Physics 2023-10-24 Ziyi Yin , Rafael Orozco , Mathias Louboutin , Felix J. Herrmann

Structured prediction involves learning to predict complex structures rather than simple scalar values. The main challenge arises from the non-Euclidean nature of the output space, which generally requires relaxing the problem formulation.…

Machine Learning · Statistics 2024-11-19 Junjie Yang , Matthieu Labeau , Florence d'Alché-Buc

High-performance concrete requires complex mix design decisions involving interdependent variables and practical constraints. While data-driven methods have improved predictive modeling for forward design in concrete engineering, inverse…

Machine Learning · Computer Science 2025-12-11 Agung Nugraha , Heungjun Im , Jihwan Lee

Neural networks have become a powerful tool as surrogate models to provide numerical solutions for scientific problems with increased computational efficiency. This efficiency can be advantageous for numerically challenging problems where…

Machine Learning · Statistics 2023-10-25 Pelin Ersin , Emma Hayes , Peter Matthews , Paramjyoti Mohapatra , Elisa Negrini , Karl Schulz

This paper introduces a methodology designed to augment the inverse design optimization process in scenarios constrained by limited compute, through the strategic synergy of multi-fidelity evaluations, machine learning models, and…

Computational Engineering, Finance, and Science · Computer Science 2024-06-04 Luka Grbcic , Juliane Müller , Wibe Albert de Jong

Explicitly accounting for uncertainties is paramount to the safety of engineering structures. Optimization which is often carried out at the early stage of the structural design offers an ideal framework for this task. When the…

Methodology · Statistics 2022-12-14 M. Moustapha , A. Galimshina , G. Habert , B. Sudret

This paper puts forward an integrated microstructure design methodology that replaces the common existing design approaches: 1) reconstruction of microstructures, 2) analyzing and quantifying material properties, and 3) inverse design of…

Materials Science · Physics 2023-07-18 Kang-Hyun Lee , Hyoung Jun Lim , Gun Jin Yun

We propose a data-driven method to establish probabilistic performance guarantees for parametric optimization problems solved via iterative algorithms. Our approach addresses two key challenges: providing convergence guarantees to…

Optimization and Control · Mathematics 2025-10-31 Jingyi Huang , Paul Goulart , Kostas Margellos

When deploying machine learning estimators in science and engineering (SAE) domains, it is critical to avoid failed estimations that can have disastrous consequences, e.g., in aero engine design. This work focuses on detecting and…

Machine Learning · Computer Science 2023-10-31 Ruiyuan Kang , Tingting Mu , Panos Liatsis , Dimitrios C. Kyritsis

Decision support systems often rely on solving complex optimization problems that may require to estimate uncertain parameters beforehand. Recent studies have shown how using traditionally trained estimators for this task can lead to…

Machine Learning · Computer Science 2025-12-19 Gaetano Signorelli , Michele Lombardi

In computational design and fabrication, neural networks are becoming important surrogates for bulky forward simulations. A long-standing, intertwined question is that of inverse design: how to compute a design that satisfies a desired…

Graphics · Computer Science 2022-08-30 Navid Ansari , Hans-Peter Seidel , Vahid Babaei

These lecture notes summarize various summer schools that I have given on the topic of solving inverse problems (state and parameter estimation) by combining optimally measurement observations and parametrized PDE models. After defining a…

Numerical Analysis · Mathematics 2022-03-16 Olga Mula

The data-centric construction of inexpensive surrogates for fine-grained, physical models has been at the forefront of computational physics due to its significant utility in many-query tasks such as uncertainty quantification. Recent…

Machine Learning · Statistics 2021-03-17 Maximilian Rixner , Phaedon-Stelios Koutsourelakis

Metaheuristic search algorithms look for solutions that either maximise or minimise a set of objectives, such as cost or performance. However most real-world optimisation problems consist of nonlinear problems with complex constraints and…

Neural and Evolutionary Computing · Computer Science 2022-06-29 Manjinder Singh , Alexander E. I. Brownlee , David Cairns

Surrogate models provide compact relations between user-defined input parameters and output quantities of interest, enabling the efficient evaluation of complex parametric systems in many-query settings. Such capabilities are essential in a…

Numerical Analysis · Mathematics 2026-03-16 Matteo Giacomini , Pedro Díez

Seismic inverse modeling is a common method in reservoir prediction and it plays a vital role in the exploration and development of oil and gas. Conventional seismic inversion method is difficult to combine with complicated and abstract…

Machine Learning · Statistics 2021-06-09 Pengfei Xie , YanShu Yin , JiaGen Hou , Mei Chen , Lixin Wang

PearSAN is a machine learning-assisted optimization algorithm applicable to inverse design problems with large design spaces, where traditional optimizers struggle. The algorithm leverages the latent space of a generative model for rapid…

Building design optimization often depends on physics-based simulation tools such as EnergyPlus, which, although accurate, are computationally expensive and slow. Surrogate models provide a faster alternative, yet most are…

Machine Learning · Computer Science 2026-03-13 Piragash Manmatharasan , Girma Bitsuamlak , Katarina Grolinger

Reinforced concrete rail bridges are essential components of railway infrastructure, where reliability, durability, and adaptability are key design priorities. However, the design process is often complicated by uncertainties stemming from…

Numerical Analysis · Mathematics 2025-11-14 Mouhammed Achhab , Pierre Jehel , Fabrice Gatuingt

The selection of optimal design for power electronic converter parameters involves balancing efficiency and thermal constraints to ensure high performance without compromising safety. This paper introduces a probabilistic-learning-based…

Systems and Control · Electrical Eng. & Systems 2025-12-30 Akash Mahajan , Shivam Chaturvedi , Srijita Das , Wencong Su , Van-Hai Bui