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arXiv:2510.05849 · v2

ESS-Flow: Training-free guidance as Bayesian inference in source space

首次提交 2025-10-07 20:11
版本更新 2026-11-05 01:35
雷达观测 2026-11-05 12:12
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摘要

Guiding pretrained flow-based generative models for conditional generation or to produce samples with desired target properties enables solving diverse tasks without retraining on paired data. We present ESS-Flow, a gradient-free method that leverages the Gaussian prior of the source distribution in flow-based models to perform Bayesian inference directly in the source space using elliptical slice sampling. ESS-Flow only requires forward passes through the generative model and observation process, making it applicable even when gradients are unavailable, such as with non-differentiable simulation-based observations or quantization in the generation process. We demonstrate its effectiveness on scientific applications including generating materials with target properties, protein backbone structures with improved designability, and synthesizable, drug-like molecules.

作者备注:NeurIPS 2026

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基于摘要 · 非全文审阅

ESS-Flow 利用流模型源分布的高斯先验,在源空间用椭圆切片采样做无梯度贝叶斯推断,实现预训练流模型的条件生成。

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v2 · 2026-11-05 01:35 · 最新观测版本

ESS-Flow: Training-free guidance as Bayesian inference in source space

Guiding pretrained flow-based generative models for conditional generation or to produce samples with desired target properties enables solving diverse tasks without retraining on paired data. We present ESS-Flow, a gradient-free method that leverages the Gaussian prior of the source distribution in flow-based models to perform Bayesian inference directly in the source space using elliptical slice sampling. ESS-Flow only requires forward passes through the generative model and observation process, making it applicable even when gradients are unavailable, such as with non-differentiable simulation-based observations or quantization in the generation process. We demonstrate its effectiveness on scientific applications including generating materials with target properties, protein backbone structures with improved designability, and synthesizable, drug-like molecules.

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