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Multifunctional metamaterials (MMM) bear promise as next-generation material platforms supporting miniaturization and customization. Despite many proof-of-concept demonstrations and the proliferation of deep learning assisted design, grand…

Computational Engineering, Finance, and Science · Computer Science 2024-03-28 Doksoo Lee , Lu Zhang , Yue Yu , Wei Chen

The reconstruction of 3D microstructures from 2D slices is considered to hold significant value in predicting the spatial structure and physical properties of materials.The dimensional extension from 2D to 3D is viewed as a highly…

Machine Learning · Computer Science 2024-02-27 Yilin Zheng , Zhigong Song

Inverse design of metasurfaces for specific electromagnetic responses requires generating geometries that satisfy stringent spectral constraints while maintaining manufacturability. Conventional design methodologies rely on iterative…

Computer Vision and Pattern Recognition · Computer Science 2026-05-20 Vineetha Joy , Jamshed Palai , Satwik Sahoo , Anshuman Kumar , Amit Sethi , Hema Singh

Two-dimensional (2D) materials and heterostructures exhibit unique physical properties, necessitating efficient and accurate characterization methods. Leveraging advancements in artificial intelligence, we introduce a deep learning-based…

Machine Learning · Computer Science 2025-03-04 Junqi He , Yujie Zhang , Jialu Wang , Tao Wang , Pan Zhang , Chengjie Cai , Jinxing Yang , Xiao Lin , Xiaohui Yang

Deep learning, as a highly efficient method for metasurface inverse design, commonly use simulation data to train deep neural networks (DNNs) that can map desired functionalities to proper metasurface designs. However, the assumptions and…

Signal Processing · Electrical Eng. & Systems 2023-08-07 Jingxin Zhang , Jiawei Xi , Peixing Li , Ray C. C. Cheung , Alex M. H. Wong , Jensen Li

Metamaterials, synthetic materials with customized properties, have emerged as a promising field due to advancements in additive manufacturing. These materials derive unique mechanical properties from their internal lattice structures,…

Artificial Intelligence · Computer Science 2024-10-01 Jaewan Park , Shashank Kushwaha , Junyan He , Seid Koric , Qibang Liu , Iwona Jasiuk , Diab Abueidda

The braking performance of the brake system is a target performance that must be considered for vehicle development. Apparent piston travel (APT) and drag torque are the most representative factors for evaluating braking performance. In…

Machine Learning · Computer Science 2022-03-01 Seongsin Kim , Minyoung Jwa , Soonwook Lee , Sunghoon Park , Namwoo Kang

The accelerated inverse design of complex material properties - such as identifying a material with a given stress-strain response over a nonlinear deformation path - holds great potential for addressing challenges from soft robotics to…

Computational Engineering, Finance, and Science · Computer Science 2024-02-02 Jan-Hendrik Bastek , Dennis M. Kochmann

In materials science, microstructures and their associated extrinsic properties are critical for engineering advanced structural and functional materials, yet their robust reconstruction and generation remain significant challenges. In this…

Materials Science · Physics 2024-10-01 Yixuan Zhang , Teng Long , Hongbin Zhang

Inverse rendering in a 3D format denoted to recovering the 3D properties of a scene given 2D input image(s) and is typically done using 3D Morphable Model (3DMM) based methods from single view images. These models formulate each face as a…

Computer Vision and Pattern Recognition · Computer Science 2017-09-01 Shima Kamyab , Ali Ghodsi , S. Zohreh Azimifar

We report a flexible language-model based deep learning strategy, applied here to solve complex forward and inverse problems in protein modeling, based on an attention neural network that integrates transformer and graph convolutional…

Biomolecules · Quantitative Biology 2023-10-20 Markus J. Buehler

Generative machine learning models have revolutionized material discovery by capturing complex structure-property relationships, yet extending these approaches to the inverse design of three-dimensional metamaterials remains limited by…

Computational Engineering, Finance, and Science · Computer Science 2026-04-27 Li Zheng , Siddhant Kumar , Dennis M. Kochmann

Additive manufacturing has become one of the forefront technologies in fabrication, enabling new products impossible to manufacture before. Although many materials exist for additive manufacturing, they typically suffer from performance…

The evolution of quantization and mixed-precision techniques has unlocked new possibilities for enhancing the speed and energy efficiency of NNs. Several recent studies indicate that adapting precision levels across different parameters can…

Machine Learning · Computer Science 2025-09-19 Giorgos Armeniakos , Alexis Maras , Sotirios Xydis , Dimitrios Soudris

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

We introduce an efficient open-source python package for the inverse design of three-dimensional photonic nanostructures using the Finite-Difference Time-Domain (FDTD) method. Leveraging a flexible reverse-mode automatic differentiation…

Deep learning is a promising, ultra-fast approach for inverse design in nano-optics, but despite fast advancement of the field, the computational cost of dataset generation, as well as of the training procedure itself remains a major…

Discovering functional crystalline materials entails navigating an immense combinatorial design space. While recent advances in generative artificial intelligence have enabled the sampling of chemically plausible compositions and…

Machine Learning · Computer Science 2025-11-11 Hyunsoo Park , Aron Walsh

Many phenomena in physics, including light, water waves, and sound, are described by wave equations. Given their coefficients, wave equations can be solved to high accuracy, but the presence of the wavelength scale often leads to large…

Computational Physics · Physics 2025-02-19 Timo Gahlmann , Philippe Tassin

A supervised machine learning (ML) based computational methodology for the design of particulate multifunctional composite materials with desired thermal conductivity (TC) is presented. The design variables are physical descriptors of the…

Computational Physics · Physics 2025-07-25 Mohammad Saber Hashemi , Masoud Safdari , Azadeh Sheidaei