Inverse design with conditional cascaded diffusion models
Adjoint-based design optimizations are usually computationally expensive and those costs scale with resolution. To address this, researchers have proposed machine learning approaches for inverse design that can predict higher-resolution solutions from lower cost/resolution ones. Due to the recent success of diffusion models over traditional generative models, we extend the use of diffusion models for multi-resolution tasks by proposing the conditional cascaded diffusion model (cCDM). Compared to GANs, cCDM is more stable to train, and each diffusion model within the cCDM can be trained independently, thus each model's parameters can be tuned separately to maximize the performance of the pipeline. Our study compares cCDM against a cGAN model with transfer learning. Our results demonstrate that the cCDM excels in capturing finer details, preserving volume fraction constraints, and minimizing compliance errors in multi-resolution tasks when a sufficient amount of high-resolution training data (more than 102 designs) is available. Furthermore, we explore the impact of training data size on the performance of both models. While both models show decreased performance with reduced high-resolution training data, the cCDM loses its superiority to the cGAN model with transfer learning when training data is limited (less than 102), and we show the break-even point for this transition. Also, we highlight that while the diffusion model may achieve better pixel-wise performance in both low-resolution and high-resolution scenarios, this does not necessarily guarantee that the model produces optimal compliance error or constraint satisfaction.
Code (0)
등록된 구현이 없습니다.
Tasks
Transfer LearningMethods 이 논문이 사용한 방법론
Similar Papers 제목 키워드 기반
Diffusion-BBO: Diffusion-Based Inverse Modeling for Online Black-Box Optimization
Online black-box optimization (BBO) aims to optimize an objective function by iteratively querying a black-box oracle in a sample-efficient way. While prior studies focus on forward approaches such as Gaussian Processes …
Gaussian Processesscientific discoveryvalidGraph Diffusion Transformers for Multi-Conditional Molecular Generation
Inverse molecular design with diffusion models holds great potential for advancements in material and drug discovery. Despite success in unconditional molecular generation, integrating multiple properties such as synthet…
DecoderDenoisingDrug DiscoveryInverse Design for Conditional Distribution Matching
Generative models are powerful tools for sampling from a learned distribution $\mathcal{P}(Y \mid X)$, and inverse-design methods invert this map to find an input $x$ that produces a desired point output $y^*$. However, …
Computer-Aided Design Generation by Cascaded Discrete Diffusion Model
Recent deep learning approaches seek to automate CAD creation by representing a model as a sequence of discrete commands and parameters, and then generating them using autoregressive models or continuous diffusion operat…
Exact Evaluation of the Accuracy of Diffusion Models for Inverse Problems with Gaussian Data Distributions
Used as priors for Bayesian inverse problems, diffusion models have recently attracted considerable attention in the literature. Their flexibility and high variance enable them to generate multiple solutions for a given …