English
Related papers

Related papers: Compositional Generative Inverse Design

200 papers

We report a series of deep learning models to solve complex forward and inverse design problems in molecular modeling and design. Using both diffusion models inspired by nonequilibrium thermodynamics and attention-based transformer…

Materials Science · Physics 2023-06-21 Rachel K. Luu , Marcin Wysokowski , Markus J. Buehler

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

Diffusion models have emerged as powerful deep generative techniques, producing high-quality and diverse samples in applications in various domains including audio. While existing reviews provide overviews, there remains limited in-depth…

Sound · Computer Science 2026-01-16 Ge Zhu , Yutong Wen , Zhiyao Duan

Channel knowledge map (CKM) is a promising technique that enables environment-aware wireless networks by utilizing location-specific channel prior information to improve communication and sensing performance. A fundamental problem for CKM…

Signal Processing · Electrical Eng. & Systems 2024-12-20 Shen Fu , Zijian Wu , Di Wu , Yong Zeng

Machine-learning generative methods for material design are constructed by representing a given chemical structure, either a solid or a molecule, over appropriate atomic features, generally called structural descriptors. These must be fully…

Materials Science · Physics 2022-07-20 Matteo Cobelli , Paddy Cahalane , Stefano Sanvito

This paper addresses the problem of generating dynamically admissible trajectories for control tasks using diffusion models, particularly in scenarios where the environment is complex and system dynamics are crucial for practical…

Robotics · Computer Science 2025-10-15 Darshan Gadginmath , Fabio Pasqualetti

Diffusion models generate samples through an iterative denoising process, guided by a neural network. While training the denoiser on real-world data is computationally demanding, the sampling procedure itself is more flexible. This…

Machine Learning · Computer Science 2026-02-10 Constant Bourdrez , Alexandre Vérine , Olivier Cappé

A key challenge in metasurface design is the development of algorithms that can effectively and efficiently produce high performance devices. Design methods based on iterative optimization can push the performance limits of metasurfaces,…

Generative AI is revolutionizing engineering design practices by enabling rapid prototyping and manipulation of designs. One example of design manipulation involves taking two reference design images and using them as prompts to generate a…

Machine Learning · Computer Science 2024-12-23 Yan-Ying Chen , Nikos Arechiga , Chenyang Yuan , Matthew Hong , Matt Klenk , Charlene Wu

Optimal design of experiments for Bayesian inverse problems has recently gained wide popularity and attracted much attention, especially in the computational science and Bayesian inversion communities. An optimal design maximizes a…

Optimization and Control · Mathematics 2023-05-09 Ahmed Attia , Sven Leyffer , Todd Munson

We demonstrate how conditional generation from diffusion models can be used to tackle a variety of realistic tasks in the production of music in 44.1kHz stereo audio with sampling-time guidance. The scenarios we consider include…

Sound · Computer Science 2023-12-06 Mark Levy , Bruno Di Giorgi , Floris Weers , Angelos Katharopoulos , Tom Nickson

Practical applications of mechanical metamaterials often involve solving inverse problems where the objective is to find the (multiple) microarchitectures that give rise to a given set of properties. The limited resolution of additive…

High training costs of generative models and the need to fine-tune them for specific tasks have created a strong interest in model reuse and composition. A key challenge in composing iterative generative processes, such as GFlowNets and…

Machine Learning · Computer Science 2023-09-29 Timur Garipov , Sebastiaan De Peuter , Ge Yang , Vikas Garg , Samuel Kaski , Tommi Jaakkola

Engineering design tasks often require synthesizing new designs that meet desired performance requirements. The conventional design process, which requires iterative optimization and performance evaluation, is slow and dependent on initial…

Machine Learning · Computer Science 2021-06-08 Amin Heyrani Nobari , Wei Chen , Faez Ahmed

In this paper we consider the problem of acoustic inversion in the context of the optoacoustic tomography image reconstruction problem. By leveraging the ability of the recently proposed diffusion models for image generative tasks among…

Image and Video Processing · Electrical Eng. & Systems 2024-04-17 M. G. González , M. Vera , A. Dreszman , L. J. Rey Vega

Generative learning generates high dimensional data based on low dimensional conditions, also called prompts. Therefore, generative learning algorithms are eligible for solving (Bayesian) inverse problems. In this article we compare a…

Machine Learning · Computer Science 2026-02-02 Patrick Krüger , Patrick Materne , Werner Krebs , Hanno Gottschalk

The predominant knowledge-based approach to automated model construction, compositional modelling, employs a set of models of particular functional components. Its inference mechanism takes a scenario describing the constituent interacting…

Artificial Intelligence · Computer Science 2011-07-04 J. Keppens , Q. Shen

Diffusion models have been recently studied as powerful generative inverse problem solvers, owing to their high quality reconstructions and the ease of combining existing iterative solvers. However, most works focus on solving simple linear…

Machine Learning · Statistics 2025-10-06 Hyungjin Chung , Jeongsol Kim , Michael T. Mccann , Marc L. Klasky , Jong Chul Ye

In machine learning and molecular design, there exist two approaches: discriminative and generative. In the discriminative approach dubbed forward design, the goal is to map a set of features/molecules to their respective electronics…

Chemical Physics · Physics 2019-04-24 Alain Tchagang , Julio Valdés

Recent advances in denoising diffusion models have enabled rapid generation of optimized structures for topology optimization. However, these models often rely on surrogate predictors to enforce physical constraints, which may fail to…

Machine Learning · Computer Science 2025-08-05 Euihyun Kim , Keun Park , Yeoneung Kim