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Inverse problems and inverse design in multiphase media, i.e., recovering or engineering microstructures to achieve target macroscopic responses, require operating on discrete-valued material fields, rendering the problem non-differentiable…

Machine Learning · Statistics 2026-02-17 Matthaios Chatzopoulos , Phaedon-Stelios Koutsourelakis

High-stakes synthetic data generation faces a fundamental Quadrilemma: achieving Fidelity to the original distribution, Control over complex logical constraints, Reliability in uncertainty estimation, and Efficiency in computational cost --…

Machine Learning · Computer Science 2026-03-05 Taha Racicot

The rise of machine learning has fueled the discovery of new materials and, especially, metamaterials--truss lattices being their most prominent class. While their tailorable properties have been explored extensively, the design of…

Computational Engineering, Finance, and Science · Computer Science 2024-04-17 Li Zheng , Konstantinos Karapiperis , Siddhant Kumar , Dennis M. Kochmann

Inverse microstructure design plays a central role in materials discovery, yet remains challenging due to the complexity of structure-property linkages and the scarcity of labeled training data. We propose Design-GenNO, a physics-informed…

Mathematical Physics · Physics 2025-09-11 Yaohua Zang , Phaedon-Stelios Koutsourelakis

In this paper, we introduce Janus, an autoregressive framework that unifies multimodal understanding and generation. Prior research often relies on a single visual encoder for both tasks, such as Chameleon. However, due to the differing…

Computer Vision and Pattern Recognition · Computer Science 2024-10-18 Chengyue Wu , Xiaokang Chen , Zhiyu Wu , Yiyang Ma , Xingchao Liu , Zizheng Pan , Wen Liu , Zhenda Xie , Xingkai Yu , Chong Ruan , Ping Luo

Understanding how nano- or micro-scale structures and material properties can be optimally configured to attain specific functionalities remains a fundamental challenge. Photonic metasurfaces, for instance, can be spectrally tuned through…

We present JanusFlow, a powerful framework that unifies image understanding and generation in a single model. JanusFlow introduces a minimalist architecture that integrates autoregressive language models with rectified flow, a…

Computer Vision and Pattern Recognition · Computer Science 2025-03-25 Yiyang Ma , Xingchao Liu , Xiaokang Chen , Wen Liu , Chengyue Wu , Zhiyu Wu , Zizheng Pan , Zhenda Xie , Haowei Zhang , Xingkai yu , Liang Zhao , Yisong Wang , Jiaying Liu , Chong Ruan

Inverse molecular design, i.e., designing molecules with specific target properties, can be posed as an optimization problem. High-dimensional optimization tasks in the natural sciences are commonly tackled via population-based…

Neural and Evolutionary Computing · Computer Science 2021-08-17 AkshatKumar Nigam , Robert Pollice , Alan Aspuru-Guzik

Discovering new physical products and processes often demands enormous experimentation and expensive simulation. To design a new product with certain target characteristics, an extensive search is performed in the design space by trying out…

Machine Learning · Statistics 2018-11-16 Phuoc Nguyen , Truyen Tran , Sunil Gupta , Santu Rana , Svetha Venkatesh

The inverse design of microstructures plays a pivotal role in optimizing metamaterials with specific, targeted physical properties. While traditional forward design methods are constrained by their inability to explore the vast…

Computer Vision and Pattern Recognition · Computer Science 2025-02-06 Tianyang Xue , Haochen Li , Longdu Liu , Paul Henderson , Pengbin Tang , Lin Lu , Jikai Liu , Haisen Zhao , Hao Peng , Bernd Bickel

Deep generative models have demonstrated effectiveness in learning compact and expressive design representations that significantly improve geometric design optimization. However, these models do not consider the uncertainty introduced by…

Computational Engineering, Finance, and Science · Computer Science 2022-10-10 Wei Wayne Chen , Doksoo Lee , Oluwaseyi Balogun , Wei Chen

Deep generative models have demonstrated effectiveness in learning compact and expressive design representations that significantly improve geometric design optimization. However, these models do not consider the uncertainty introduced by…

Machine Learning · Computer Science 2022-03-10 Wei Wayne Chen , Doksoo Lee , Wei Chen

Deep generative models, particularly denoising diffusion models, have achieved remarkable success in high-fidelity generation of architected microstructures with desired properties and styles. Nevertheless, these recent methods typically…

Computational Engineering, Finance, and Science · Computer Science 2026-01-13 Weipeng Xu , Ziyuan Xie , Haoju Lin , Xinyu Wang , Guangjin Mou , Tianju Xue

The research of metamaterials has achieved enormous success in the manipulation of light in an artificially prescribed manner using delicately designed sub-wavelength structures, so-called meta-atoms. Even though modern numerical methods…

Optics · Physics 2019-01-31 Wei Ma , Feng Cheng , Yihao Xu , Qinlong Wen , Yongmin Liu

Inverse design is a common yet challenging engineering problem, particularly for nonlinear functional responses such as mechanical behavior or spectral analysis. Deep generative models are motivated by intractability, non-existence or…

Computational Engineering, Finance, and Science · Computer Science 2025-10-09 Haoxuan Dylan Mu , Mingjian Tang , Wei Gao , Wei "Wayne" Chen

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

Designing composite materials as per the application requirements is fundamentally a challenging and time consuming task. Here we report the development of a deep neural network based computational framework capable of solving the forward…

Materials Science · Physics 2022-09-14 Ashank , Soumen Chakravarty , Pranshu Garg , Ankit Kumar , Manish Agrawal , Prabhat K. Agnihotri

Materials discovery is fundamental to advance next-generation technologies as well as for sustainable and circular economy. Beyond computational screening, generative models are efficient at finding materials with desired properties, via…

We propose and demonstrate a generative deep learning approach for the shape recognition of an arbitrary object from its acoustic scattering properties. The strategy exploits deep neural networks to learn the mapping between the latent…

Sound · Computer Science 2022-07-13 W. W. Ahmed , M. Farhat , P. -Y. Chen , X. Zhang , Y. Wu

Unified multimodal generative models aim to integrate image understanding and generation abilities, offering significant advantages in harnessing multimodal corpora, particularly interleaved text-image data. However, existing unified models…

Computer Vision and Pattern Recognition · Computer Science 2025-07-16 Hong Zhang , Zhongjie Duan , Xingjun Wang , Yuze Zhao , Weiyi Lu , Zhipeng Di , Yixuan Xu , Yingda Chen , Yu Zhang
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