利用生命之树对扩散模型进行分层调节以研究物种进化

Mridul Khurana, Arka Daw, M. Maruf, Josef C. Uyeda, Wasila Dahdul, Caleb Charpentier, Yasin Bakış, Henry L. Bart Jr., Paula M. Mabee, Hilmar Lapp, James P. Balhoff, Wei-Lun Chao, Charles Stewart, Tanya Berger-Wolf, Anuj Karpatne
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引用次数: 0

摘要

生物学的一个核心问题是了解生物是如何通过获得整个生命树中物种的可观测特征或性状的变化来进化和适应环境的。随着生物学中大规模图像资源库的不断增加以及生成模型的最新进展,我们有机会加速从图像中自动发现进化特征。为了实现这一目标,我们介绍了 "HIER-扩散"(Phylo-Diffusion),这是一种利用以 HIERarchical Embeddings(HIER-Embeds)形式表示的系统发育知识来调节扩散模型的新型框架。我们还提出了两个扰动 Phylo-Diffusion 嵌入空间的新实验:性状掩蔽和性状交换,这两个实验的灵感来自基因敲除和基因编辑/交换的对应实验。我们的工作代表了生成建模在方法论上的新进展,即利用基于树的知识来构建扩散模型的嵌入空间。我们的工作还开启了进化生物学研究的新篇章,利用生成模型直接从图像中可视化进化变化。我们经验性地证明了植物扩散模型在捕捉鱼类和鸟类有意义的性状变化方面的实用性,揭示了有关它们进化的生物学机制的新见解。
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Hierarchical Conditioning of Diffusion Models Using Tree-of-Life for Studying Species Evolution
A central problem in biology is to understand how organisms evolve and adapt to their environment by acquiring variations in the observable characteristics or traits of species across the tree of life. With the growing availability of large-scale image repositories in biology and recent advances in generative modeling, there is an opportunity to accelerate the discovery of evolutionary traits automatically from images. Toward this goal, we introduce Phylo-Diffusion, a novel framework for conditioning diffusion models with phylogenetic knowledge represented in the form of HIERarchical Embeddings (HIER-Embeds). We also propose two new experiments for perturbing the embedding space of Phylo-Diffusion: trait masking and trait swapping, inspired by counterpart experiments of gene knockout and gene editing/swapping. Our work represents a novel methodological advance in generative modeling to structure the embedding space of diffusion models using tree-based knowledge. Our work also opens a new chapter of research in evolutionary biology by using generative models to visualize evolutionary changes directly from images. We empirically demonstrate the usefulness of Phylo-Diffusion in capturing meaningful trait variations for fishes and birds, revealing novel insights about the biological mechanisms of their evolution.
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