用进化关系指导生成3D头骨,仅需少量样本就能造出逼真新形态。
PhyloSDF: Phylogenetically-Conditioned Neural Generation of 3D Skull Morphology via Residual Flow Matching

- 用进化距离约束隐空间,让生成结果符合物种演化规律。
- 在每种仅4个样本下生成,保留88%~129%真实种内差异。
- 适合做演化生物学中的祖先头骨重建与新物种形态生成。
生成新颖且生物合理的三维形态结构是计算演化生物学的核心挑战,受限于数据极度稀缺及生成形状需符合物种间进化关系的要求。本文提出PhyloSDF,一种基于进化关系条件的神经生成模型,融合两项创新:(1) 采用由新型进化一致性损失正则化的DeepSDF自编码器,使隐空间与演化距离高度相关(皮尔逊相关系数r=0.993);(2) 提出残差条件流匹配(Residual CFM)架构,将生成分解为物种中心点查表与学习残差预测,实现每物种仅需约4个样本即可生成。在24个物种共100个达尔文雀及其近缘种的micro-CT头骨上评估,模型生成的新网格在代码层面达到真实种内变异的88%-129%,所有180个生成网格均经验证未记忆原数据。与去噪扩散(完全失效)、标准流匹配(模式坍缩至3%-6%变异)及高斯混合基线相比,本模型在保真度(Chamfer Distance 0.00181 vs. 0.00190)和形态度量弗雷歇距离(10,641 vs. 13,322)上均更优。对18个物种的留一物种实验显示其具备进化外推能力,隐空间插值可生成生物学合理的祖先头骨重构。
原文摘要 · Abstract (English)
Generating novel, biologically plausible three-dimensional morphological structures is a fundamental challenge in computational evolutionary biology, hampered by extreme data scarcity and the requirement that generated shapes respect phylogenetic relationships among species. In this work, we present PhyloSDF, a phylogenetically-conditioned neural generative model for 3D biological morphology that integrates two innovations: (1) a DeepSDF auto-decoder regularized by a novel Phylogenetic Consistency Loss that structures the latent space to correlate with evolutionary distances (Pearson r=0.993); (2) a Residual Conditional Flow Matching (Residual CFM) architecture that factorizes generation into analytic species-centroid lookup and learned residual prediction, enabling generation from as few as ~4 specimens per species. We evaluate PhyloSDF on 100 micro-CT-scanned skulls of Darwin's Finches and their relatives across 24 species. The model generates novel meshes achieving 88-129% of real intra-species variation at the code level, with all 180 generated meshes verified as non-memorized. Residual CFM surpasses denoising diffusion (which fails entirely at this scale), standard flow matching (which mode-collapses to 3-6% variation), and a Gaussian mixture baseline in both fidelity (Chamfer Distance 0.00181 vs. 0.00190) and morphometric Fréchet distance (10,641 vs. 13,322). Leave-one-species-out experiments across 18 species demonstrate phylogenetic extrapolation capability, and smooth latent interpolations produce biologically plausible ancestral skull reconstructions.
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