用2D图像生成3D材料结构,还能按性能目标精准设计。
MicroLad: 2D-to-3D Microstructure Reconstruction and Generation via Latent Diffusion and Score Distillation
- 基于隐空间扩散模型,从2D图像重建3D微结构。
- 生成的3D结构与原始数据统计一致,且支持属性导向生成。
- 适合材料逆向设计、微观结构探索的研究者使用。
材料工程中建立可靠结构-性能关联的一大障碍是缺乏多样化的3D微结构数据集。数据有限且分析与设计空间控制不足,限制了可实现的微结构形态,阻碍了逆向(性能→结构)设计问题的解决。为此,我们提出MicroLad,一种专为从2D数据重建3D微结构而设计的隐空间扩散框架。该框架在2D图像上训练,采用隐空间中的多平面去噪扩散采样,可稳定生成与原始数据在统计上一致的3D体积。该重建能力实现了2D到3D的维度扩展,可从2D数据生成统计等效的3D样本。为有效探索微结构设计,MicroLad引入分数蒸馏采样(SDS),结合可微分分数损失与微结构描述符匹配及性能对齐项,更新3D体积的编码2D切片,实现鲁棒的逆向控制式2D到3D微结构生成。该方法拓展了微结构分析与设计空间,涵盖微结构描述符与材料性能双重维度。
原文摘要 · Abstract (English)
A major obstacle to establishing reliable structure-property (SP) linkages in materials engineering is the scarcity of diverse 3D microstructure datasets. Limited dataset availability and insufficient control over the analysis and design space restrict the variety of achievable microstructure morphologies, hindering progress in solving the inverse (property-to-structure) design problem. To address these challenges, we introduce MicroLad, a latent diffusion framework specifically designed for reconstructing 3D microstructures from 2D data. Trained on 2D images and employing multi-plane denoising diffusion sampling in the latent space, the framework reliably generates stable and coherent 3D volumes that remain statistically consistent with the original data. While this reconstruction capability enables dimensionality expansion (2D-to-3D) for generating statistically equivalent 3D samples from 2D data, effective exploration of microstructure design requires methods to guide the generation process toward specific objectives. To achieve this, MicroLad integrates score distillation sampling (SDS), which combines a differentiable score loss with microstructural descriptor-matching and property-alignment terms. This approach updates encoded 2D slices of the 3D volume in the latent space, enabling robust inverse-controlled 2D-to-3D microstructure generation. Consequently, the method facilitates exploration of an expanded 3D microstructure analysis and design space in terms of both microstructural descriptors and material properties.
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