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Modern generative machine learning models demonstrate surprising ability to create realistic outputs far beyond their training data, such as photorealistic artwork, accurate protein structures, or conversational text. These successes…

Machine Learning · Computer Science 2024-01-17 William Gilpin

Generative design refers to computational design methods that can automatically conduct design exploration under constraints defined by designers. Among many approaches, topology optimization-based generative designs aim to explore diverse…

Computer Vision and Pattern Recognition · Computer Science 2022-10-04 Seowoo Jang , Soyoung Yoo , Namwoo Kang

Flow-based models have proven successful for time-series generation, particularly when defined in lower-dimensional latent spaces that enable efficient sampling. However, how to design latent representations with desirable equivariance…

Machine Learning · Computer Science 2026-02-02 Camilo Carvajal Reyes , Felipe Tobar

Trusses are load-carrying light-weight structures consisting of bars connected at joints ubiquitously applied in a variety of engineering scenarios. Designing optimal trusses that satisfy functional specifications with a minimal amount of…

Graphics · Computer Science 2019-01-18 Caigui Jiang , Chengcheng Tang , Hans-Peter Seidel , Renjie Chen , Peter Wonka

In traditional topology optimization, the computing time required to iteratively update the material distribution within a design domain strongly depends on the complexity or size of the problem, limiting its application in real engineering…

Computational Engineering, Finance, and Science · Computer Science 2024-05-14 Gabriel Garayalde , Matteo Torzoni , Matteo Bruggi , Alberto Corigliano

Materials design aims to discover novel compounds with desired properties. However, prevailing strategies face critical trade-offs. Conventional element-substitution approaches readily and adaptively incorporate various domain knowledge but…

Superconductivity · Physics 2025-05-30 Akihiro Fujii , Anh Khoa Augustin Lu , Koji Shimizu , Satoshi Watanabe

Two-dimensional (2D) materials have wide applications in superconductors, quantum, and topological materials. However, their rational design is not well established, and currently less than 6,000 experimentally synthesized 2D materials have…

Materials Science · Physics 2023-01-18 Rongzhi Dong , Yuqi Song , Edirisuriya M. D. Siriwardane , Jianjun Hu

Deep generative models are universal tools for learning data distributions on high dimensional data spaces via a mapping to lower dimensional latent spaces. We provide a study of latent space geometries and extend and build upon previous…

Machine Learning · Computer Science 2019-02-07 Max F. Frenzel , Bogdan Teleaga , Asahi Ushio

Functional brain graphs are often characterized with separate graph-theoretic or spectral descriptors, overlooking how these properties covary and partially overlap across brains and conditions. We anticipate that dense, weighted functional…

Neurons and Cognition · Quantitative Biology 2025-11-07 Subati Abulikemu , Tiago Azevedo , Michail Mamalakis , John Suckling

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 introduce a computational framework for the topology optimization of cellular structures with spatially varying architecture, which is applied to functionally graded truss lattices under quasistatic loading. We make use of a first-order…

Other Condensed Matter · Physics 2022-05-31 Bastian Telgen , Ole Sigmund , Dennis M. Kochmann

Physics-constrained data-driven computing is an emerging computational paradigm that allows simulation of complex materials directly based on material database and bypass the classical constitutive model construction. However, it remains…

Numerical Analysis · Mathematics 2022-09-12 Xiaolong He , Qizhi He , Jiun-Shyan Chen

Mechanical and phononic metamaterials exhibiting negative elastic moduli, gapped vibrational spectra, or topologically protected modes enable precise control of structural and acoustic functionalities. While much progress has been made in…

Materials Science · Physics 2019-09-25 Henrik Ronellenfitsch , Norbert Stoop , Josephine Yu , Aden Forrow , Jörn Dunkel

The discovery of inorganic crystal structures with targeted properties is a significant challenge in materials science. Generative models, especially state-of-the-art diffusion models, offer the promise of modeling complex data…

Understanding how living organisms spontaneously develop complex functional structures inspires innovative approaches in engineering design. Here, we introduce a decentralized generative model based on morphogenesis to autonomously grow…

Applied Physics · Physics 2025-09-15 Thomas Fromentèze , Philippe Michaud , Ali Hassny , Vincent Pateloup

Natural cellular materials, such as honeycombs, woods, foams, trabecular bones, plant parenchyma, and sponges, may benefit from the disorderliness within their internal microstructures to achieve damage tolerant behaviours. Inspired by…

Disordered Systems and Neural Networks · Physics 2022-07-21 Akash Singh Bhuwal , Yong Pang , Ian Ashcroft , Wei Sun , Tao Liu

Current 3D-aware pretraining methods for embodied perception and manipulation are largely built on differentiable rendering frameworks, producing either fully implicit neural fields or fully explicit geometric primitives. Implicit…

Successful material selection is critical in designing and manufacturing products for design automation. Designers leverage their knowledge and experience to create high-quality designs by selecting the most appropriate materials through…

Machine learning provides a novel avenue for the study of experimental realizations of many-body systems, and has recently been proven successful in analyzing properties of experimental data of ultracold quantum gases. We here show that…

Computational Physics · Physics 2021-09-29 Corneel Casert , Kyle Mills , Tom Vieijra , Jan Ryckebusch , Isaac Tamblyn

Drawing inspiration from the achievements of natural language processing, we adopt self-supervised learning and utilize an equivariant graph neural network to develop a unified platform designed for training generative models capable of…

Materials Science · Physics 2024-08-21 Fangze Liu , Zhantao Chen , Tianyi Liu , Ruyi Song , Yu Lin , Joshua J. Turner , Chunjing Jia