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Recent advances in generative modeling, namely Diffusion models, have revolutionized generative modeling, enabling high-quality image generation tailored to user needs. This paper proposes a framework for the generative design of structural…

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

Generative models show great promise for the inverse design of molecules and inorganic crystals, but remain largely ineffective within more complex structures such as amorphous materials. Here, we present a diffusion model that reliably…

Disordered Systems and Neural Networks · Physics 2026-01-21 Kai Yang , Daniel Schwalbe-Koda

Diffusion generative models have emerged as a powerful framework for addressing problems in structural biology and structure-based drug design. These models operate directly on 3D molecular structures. Due to the unfavorable scaling of…

Biomolecules · Quantitative Biology 2024-05-10 Ian Dunn , David Ryan Koes

Layout generation aims to synthesize realistic graphic scenes consisting of elements with different attributes including category, size, position, and between-element relation. It is a crucial task for reducing the burden on heavy-duty…

Computer Vision and Pattern Recognition · Computer Science 2023-03-10 Mude Hui , Zhizheng Zhang , Xiaoyi Zhang , Wenxuan Xie , Yuwang Wang , Yan Lu

Designing materials with targeted properties remains challenging due to the vastness of chemical space and the scarcity of property-labeled data. While recent advances in generative models offer a promising way for inverse design, most…

For many materials, macroscopic mechanical behavior is determined by an intricate microstructure. Understanding the relation between these two scales helps scientists and engineers design better materials. The relation which maps…

Computational Physics · Physics 2026-05-13 Arnaud Vadeboncoeur , Mark Girolami , Kaushik Bhattacharya , Andrew M. Stuart

Diffusion models promise to accelerate material design by directly generating novel structures with desired properties, but existing approaches typically require expensive and substantial labeled data ($>$10,000) and lack adaptability. Here…

Chemical Physics · Physics 2025-11-06 Junwu Chen , Jeff Guo , Edvin Fako , Philippe Schwaller

We introduce MxDiffusion, a hybrid physics- and data-driven diffusion-based framework that enables efficient and highly accurate generation of photonic structures from target optical properties. The improved accuracy is achieved through a…

Optics · Physics 2026-02-20 Sujoy Mondal , Taehyuk Park , Sudipta Biswas , Alan X. Wang , Wenshan Cai

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

Metamaterials are artificially engineered structures that manipulate electromagnetic waves, having optical properties absent in natural materials. Recently, machine learning for the inverse design of metamaterials has drawn attention.…

Hierarchical structures exhibit critical features across multiple scales. However, designing multiscale structures demands significant computational resources, and ensuring connectivity between microstructures remains a key challenge. To…

Computational Engineering, Finance, and Science · Computer Science 2025-01-09 Jingxuan Feng , Lili Wang , Xiaoya Zhai , Kai Chen , Wenming Wu , Ligang Liu , Xiao-Ming Fu

The computational intensity of detector simulation and event reconstruction poses a significant difficulty for data analysis in collider experiments. This challenge inspires the continued development of machine learning techniques to serve…

High Energy Physics - Experiment · Physics 2024-11-22 Dmitrii Kobylianskii , Nathalie Soybelman , Nilotpal Kakati , Etienne Dreyer , Benjamin Nachman , Eilam Gross

Diffusion generative models transform noise into data by inverting a process that progressively adds noise to data samples. Inspired by concepts from the renormalization group in physics, which analyzes systems across different scales, we…

Machine Learning · Computer Science 2024-10-04 Mathis Gerdes , Max Welling , Miranda C. N. Cheng

In materials science, the challenge of rapid prototyping materials with desired properties often involves extensive experimentation to find suitable microstructures. Additionally, finding microstructures for given properties is typically an…

Machine Learning · Computer Science 2024-05-22 Sébastien Bompas , Stefan Sandfeld

In this work, a hybrid physics-based data-driven surrogate model for the microscale analysis of heterogeneous material is investigated. The proposed model benefits from the physics-based knowledge contained in the constitutive models used…

Materials Science · Physics 2024-04-30 M. A. Maia , I. B. C. M. Rocha , D. Kovačević , F. P. van der Meer

Diffusion models have emerged as a powerful framework for generative tasks in deep learning. They decompose generative modeling into two computational primitives: deterministic neural-network evaluation and stochastic sampling. Current…

Machine Learning · Computer Science 2026-03-31 Nihal Sanjay Singh , Mazdak Mohseni-Rajaee , Shaila Niazi , Kerem Y. Camsari

Sparse-view 3D modeling represents a fundamental tension between reconstruction fidelity and generative plausibility. While feed-forward reconstruction excels in efficiency and input alignment, it often lacks the global priors needed for…

Computer Vision and Pattern Recognition · Computer Science 2026-04-06 Zhisheng Huang , Jiahao Chen , Cheng Lin , Chenyu Hu , Hanzhuo Huang , Zhengming Yu , Mengfei Li , Yuheng Liu , Zekai Gu , Zibo Zhao , Yuan Liu , Xin Li , Wenping Wang

This study presents a generative optimization framework that builds on a fine-tuned diffusion model and reward-directed sampling to generate high-performance engineering designs. The framework adopts a parametric representation of the…

Machine Learning · Computer Science 2025-08-05 Hadi Keramati , Patrick Kirchen , Mohammed Hannan , Rajeev K. Jaiman

Diffusion models offer stable training and state-of-the-art performance for deep generative modeling tasks. Here, we consider their use in the context of multivariate subsurface modeling and probabilistic inversion. We first demonstrate…

Computer Vision and Pattern Recognition · Computer Science 2026-01-28 Roberto Miele , Niklas Linde
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