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We introduce the concept of decision-focused surrogate modeling for solving computationally challenging nonlinear optimization problems in real-time settings. The proposed data-driven framework seeks to learn a simpler, e.g. convex,…

Optimization and Control · Mathematics 2023-12-27 Rishabh Gupta , Qi Zhang

Surrogate model-based optimization has been increasingly used in the field of engineering design. It involves creating a surrogate model with objective functions or constraints based on the data obtained from simulations or real-world…

Optimization and Control · Mathematics 2023-08-28 Minyoung Jwa , Jihoon Kim , Seungyeon Shin , Ah-hyeon Jin , Dongju Shin , Namwoo Kang

Tailoring materials to achieve a desired behavior in specific applications is of significant scientific and industrial interest as design of materials is a key driver to innovation. Overcoming the rather slow and expertise-bound traditional…

Materials Science · Physics 2025-03-11 Alexander Raßloff , Paul Seibert , Karl A. Kalina , Markus Kästner

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

The optimization of functional materials is important to enhance their properties, but their complex geometries pose great challenges to optimization. Data-driven algorithms efficiently navigate such complex design spaces by learning…

Computational Engineering, Finance, and Science · Computer Science 2025-06-05 Seongmin Kim , In-Saeng Suh

Inverse-designed nanophotonic media are a promising platform for compact optical neural networks, but training them end to end is expensive because each adjoint iteration couples the full-wave solver to the dataset minibatch, so the number…

Optics · Physics 2026-04-24 Azka Maula Iskandar Muda , Uğur Teğin

We present an approach for constructing a surrogate from ensembles of information sources of varying cost and accuracy. The multifidelity surrogate encodes connections between information sources as a directed acyclic graph, and is trained…

Machine Learning · Computer Science 2021-08-25 Alex Gorodetsky , John D. Jakeman , Gianluca Geraci

This study presents a methodology to treat performance-based seismic design as an inverse engineering problem, where design parameters are directly derived to achieve specific performance objectives. By implementing explainable machine…

Machine Learning · Computer Science 2025-08-04 Mohsen Zaker Esteghamati

The capabilities of additive manufacturing have facilitated the design and production of mechanical metamaterials with diverse unit cell geometries. Establishing linkages between the vast design space of unit cells and their effective…

Computational Engineering, Finance, and Science · Computer Science 2025-05-05 Hooman Danesh , Maruthi Annamaraju , Tim Brepols , Stefanie Reese , Surya R. Kalidindi

This paper introduces a novel two-stage machine learning-based surrogate modeling framework to address inverse problems in scientific and engineering fields. In the first stage of the proposed framework, a machine learning model termed the…

Machine Learning · Computer Science 2024-01-05 Farhad Pourkamali-Anaraki , Jamal F. Husseini , Evan J. Pineda , Brett A. Bednarcyk , Scott E. Stapleton

Machine learning (ML) is emerging as a transformative tool for the design of architected materials, offering properties that far surpass those achievable through lab-based trial-and-error methods. However, a major challenge in current…

In order to optimally design materials, it is crucial to understand the structure-property relations in the material by analyzing the effect of microstructure parameters on the macroscopic properties. In computational homogenization, the…

Computational Engineering, Finance, and Science · Computer Science 2022-08-24 Theron Guo , Ondřej Rokoš , Karen Veroy

While the forward and backward modeling of the process-structure-property chain has received a lot of attention from the materials community, fewer efforts have taken into consideration uncertainties. Those arise from a multitude of sources…

Machine Learning · Statistics 2021-08-06 Maximilian Rixner , Phaedon-Stelios Koutsourelakis

Neural networks are powerful surrogates for numerous forward processes. The inversion of such surrogates is extremely valuable in science and engineering. The most important property of a successful neural inverse method is the performance…

Machine Learning · Computer Science 2022-10-18 Navid Ansari , Hans-Peter Seidel , Nima Vahidi Ferdowsi , Vahid Babaei

Mimicking the perceptual functions of human cutaneous mechanoreceptors, artificial skins or flexible pressure sensors can transduce tactile stimuli to quantitative electrical signals. Conventional methods to design such devices follow a…

This work addresses the inverse identification of apparent elastic properties of random heterogeneous materials using machine learning based on artificial neural networks. The proposed neural network-based identification method requires the…

Machine Learning · Computer Science 2021-02-12 Florent Pled , Christophe Desceliers , Tianyu Zhang

The computational resources required to solve the full 3D inversion of time-domain electromagnetic data are immense. To overcome the time-consuming 3D simulations, we construct a surrogate model, more precisely, a data-driven statistical…

Geophysics · Physics 2024-07-10 Wouter Deleersnyder , David Dudal , Thomas Hermans

Inverse modeling for computing a high-dimensional spatially-varying property field from indirect sparse and noisy observations is a challenging problem. This is due to the complex physical system of interest often expressed in the form of…

Computational Physics · Physics 2021-02-22 Govinda Anantha Padmanabha , Nicholas Zabaras

Driven by increased complexity of dynamical systems, the solution of system of differential equations through numerical simulation in optimization problems has become computationally expensive. This paper provides a smart data driven…

Optimization and Control · Mathematics 2021-08-25 Kainat Khowaja , Mykhaylo Shcherbatyy , Wolfgang Karl Härdle

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
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