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From self-assembly and protein folding to combinatorial metamaterials, a key challenge in material design is finding the right combination of interacting building blocks that yield targeted properties. Such structures are fiendishly…

Soft Condensed Matter · Physics 2025-06-26 Ryan van Mastrigt , Marjolein Dijkstra , Martin van Hecke , Corentin Coulais

We present a geometric framework for the inverse design of smart woven fabrics composed of non-uniformly shrinking threads. A sufficiently tight weaving structure imposes strong local criteria on the material deformation and reduces the…

Soft Condensed Matter · Physics 2026-01-23 Einav Berin , Hillel Aharoni

This work develops a machine learned structural design model for continuous beam systems from the inverse problem perspective. After demarcating between forward, optimisation and inverse machine learned operators, the investigation proposes…

Machine Learning · Computer Science 2024-03-15 Adrien Gallet , Andrew Liew , Iman Hajirasouliha , Danny Smyl

One of the major challenges in the Bayesian solution of inverse problems governed by partial differential equations (PDEs) is the computational cost of repeatedly evaluating numerical PDE models, as required by Markov chain Monte Carlo…

Computation · Statistics 2016-05-03 Tiangang Cui , Youssef M. Marzouk , Karen E. Willcox

The inverse design approach in magnonics exploits the wave nature of magnons and machine learning to develop logical devices with functionalities that exceed the capabilities of analytical methods. While promising for analog, Boolean, and…

Other Condensed Matter · Physics 2025-05-26 Andrey A. Voronov , Marcos Cuervo Santos , Florian Bruckner , Dieter Suess , Andrii V. Chumak , Claas Abert

The optimization along the chain processing-structure-properties-performance is one of the core objectives in data-driven materials science. In this sense, processes are supposed to manufacture workpieces with targeted material…

Materials Science · Physics 2022-03-24 Tarek Iraki , Lukas Morand , Johannes Dornheim , Norbert Link , Dirk Helm

Bayesian inverse problems use observed data to update a prior probability distribution for an unknown state or parameter of a scientific system to a posterior distribution conditioned on the data. In many applications, the unknown parameter…

Numerical Analysis · Mathematics 2026-05-12 Josie König , Elizabeth Qian , Melina A. Freitag

This paper has presented inversely determining the resonant configuration of the bilateral nanostructures for periodic metallic slits with extraordinary optical transmission performance. The topology optimization approach is utilized to…

Optics · Physics 2017-12-05 Yongbo Deng , Chao Song , Yihui Wu , Zhenyu Liu , Jan G. Korvink

The rapid design of advanced materials is a topic of great scientific interest. The conventional, ``forward'' paradigm of materials design involves evaluating multiple candidates to determine the best candidate that matches the target…

Inverse electromagnetic design has emerged as a way of efficiently designing active and passive electromagnetic devices. This maturing strategy involves optimizing the shape or topology of a device in order to improve a figure of merit--a…

Optics · Physics 2018-12-05 Andrew Michaels , Eli Yablonovitch

From a pool of admissible designs, we aim to identify a structure that achieves a target macroscopic stress response. For each candidate, the response is obtained from a high-fidelity oracle, such as expensive computational homogenization…

Computational Engineering, Finance, and Science · Computer Science 2026-05-12 Hooman Danesh , Henning Wessels

Machine learning methods for computational imaging require uncertainty estimation to be reliable in real settings. While Bayesian models offer a computationally tractable way of recovering uncertainty, they need large data volumes to be…

Machine Learning · Computer Science 2020-08-24 Francesco Tonolini , Jack Radford , Alex Turpin , Daniele Faccio , Roderick Murray-Smith

Finite element (FE) simulations of structures and materials are getting increasingly more accurate, but also more computationally expensive as a collateral result. This development happens in parallel with a growing demand of data-driven…

Machine Learning · Computer Science 2025-07-31 Leo Guo , Hirak Kansara , Siamak F. Khosroshahi , GuoQi Zhang , Wei Tan

In this work, we present Multimodal Equivariant Inverse Design Network (MEIDNet), a framework that jointly learns structural information and materials properties through contrastive learning, while encoding structures via an equivariant…

Materials Science · Physics 2026-01-30 Anand Babu , Rogério Almeida Gouvêa , Pierre Vandergheynst , Gian-Marco Rignanese

Advances in material functionalities drive innovations across various fields, where metamaterials-defined by structure rather than composition-are leading the way. Despite the rise of artificial intelligence (AI)-driven design strategies,…

Computational Engineering, Finance, and Science · Computer Science 2025-09-03 Namjung Kim , Dongseok Lee , Jongbin Yu , Sung Woong Cho , Dosung Lee , Yesol Park , Youngjoon Hong

Inverse design, where we seek to design input variables in order to optimize an underlying objective function, is an important problem that arises across fields such as mechanical engineering to aerospace engineering. Inverse design is…

Machine Learning · Computer Science 2024-03-12 Tailin Wu , Takashi Maruyama , Long Wei , Tao Zhang , Yilun Du , Gianluca Iaccarino , Jure Leskovec

Additive manufacturing methods together with topology optimization have enabled the creation of multiscale structures with controlled spatially-varying material microstructure. However, topology optimization or inverse design of such…

Materials Science · Physics 2024-08-28 Harikrishnan Vijayakumaran , Jonathan B. Russ , Glaucio H. Paulino , Miguel A. Bessa

Nature has engineered complex designs to achieve advanced properties and functionalities through evolution, over millions of years. Many organisms have adapted to their living environment producing extremely efficient materials and…

Architected materials can achieve enhanced properties compared to their plain counterparts. Specific architecting serves as a powerful design lever to achieve targeted behavior without changing the base material. Thus, the connection…

Materials Science · Physics 2023-02-14 Andrew J. Lew , Kai Jin , Markus J. Buehler

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