提出新型少步生成模型,让几何数据生成更快更准。
Generalised Flow Maps for Few-Step Generative Modelling on Riemannian Manifolds
- 将欧氏空间的流映射推广到任意黎曼流形,实现高效生成。
- 单步生成即可达到最优样本质量,多步也优于现有方法。
- 适合蛋白质、地理数据等几何结构复杂场景的研究者使用。
几何数据及专用生成模型在高影响力深度学习领域广泛应用,涵盖蛋白质骨架生成、计算化学和地理空间数据等。当前几何生成模型推理成本高昂,需大量复杂数值模拟步骤,源于扩散与流匹配等基于动力学测度传输框架。本文提出广义流映射(GFM),一种新型少步生成模型,将欧氏空间中的流映射框架推广至任意黎曼流形。通过三种基于自蒸馏的训练方法实例化:广义拉格朗日流映射、广义欧拉流映射和广义渐进流映射。理论上证明,在特定设计下,GFM可统一并提升现有欧氏空间少步生成模型(如一致性模型、捷径模型、均值流)至黎曼设置。在包括地理空间数据、RNA二面角和双曲流形在内的多个几何数据集上进行基准测试,单步与少步评估均达到最先进样本质量,且使用隐式概率流时获得更优或具竞争力的对数似然。
原文摘要 · Abstract (English)
Geometric data and purpose-built generative models on them have become ubiquitous in high-impact deep learning application domains, ranging from protein backbone generation and computational chemistry to geospatial data. Current geometric generative models remain computationally expensive at inference -- requiring many steps of complex numerical simulation -- as they are derived from dynamical measure transport frameworks such as diffusion and flow-matching on Riemannian manifolds. In this paper, we propose Generalised Flow Maps (GFM), a new class of few-step generative models that generalises the Flow Map framework in Euclidean spaces to arbitrary Riemannian manifolds. We instantiate GFMs with three self-distillation-based training methods: Generalised Lagrangian Flow Maps, Generalised Eulerian Flow Maps, and Generalised Progressive Flow Maps. We theoretically show that GFMs, under specific design decisions, unify and elevate existing Euclidean few-step generative models, such as consistency models, shortcut models, and meanflows, to the Riemannian setting. We benchmark GFMs against other geometric generative models on a suite of geometric datasets, including geospatial data, RNA torsion angles, and hyperbolic manifolds, and achieve state-of-the-art sample quality for single- and few-step evaluations, and superior or competitive log-likelihoods using the implicit probability flow.
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