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 conditional velocity field


On Conditional Stochastic Interpolation for Generative Nonlinear Sufficient Dimension Reduction

Xu, Shuntuo, Yu, Zhou, Huang, Jian

arXiv.org Machine Learning

Identifying low-dimensional sufficient structures in nonlinear sufficient dimension reduction (SDR) has long been a fundamental yet challenging problem. Most existing methods lack theoretical guarantees of exhaustiveness in identifying lower dimensional structures, either at the population level or at the sample level. We tackle this issue by proposing a new method, generative sufficient dimension reduction (GenSDR), which leverages modern generative models. We show that GenSDR is able to fully recover the information contained in the central $σ$-field at both the population and sample levels. In particular, at the sample level, we establish a consistency property for the GenSDR estimator from the perspective of conditional distributions, capitalizing on the distributional learning capabilities of deep generative models. Moreover, by incorporating an ensemble technique, we extend GenSDR to accommodate scenarios with non-Euclidean responses, thereby substantially broadening its applicability. Extensive numerical results demonstrate the outstanding empirical performance of GenSDR and highlight its strong potential for addressing a wide range of complex, real-world tasks.


Gumbel-Softmax Flow Matching with Straight-Through Guidance for Controllable Biological Sequence Generation

Tang, Sophia, Zhang, Yinuo, Tong, Alexander, Chatterjee, Pranam

arXiv.org Artificial Intelligence

Flow matching in the continuous simplex has emerged as a promising strategy for DNA sequence design, but struggles to scale to higher simplex dimensions required for peptide and protein generation. We introduce Gumbel-Softmax Flow and Score Matching, a generative framework on the simplex based on a novel Gumbel-Softmax interpolant with a time-dependent temperature. Using this interpolant, we introduce Gumbel-Softmax Flow Matching by deriving a parameterized velocity field that transports from smooth categorical distributions to distributions concentrated at a single vertex of the simplex. We alternatively present Gumbel-Softmax Score Matching which learns to regress the gradient of the probability density. Our framework enables high-quality, diverse generation and scales efficiently to higher-dimensional simplices. To enable training-free guidance, we propose Straight-Through Guided Flows (STGFlow), a classifier-based guidance method that leverages straight-through estimators to steer the unconditional velocity field toward optimal vertices of the simplex. STGFlow enables efficient inference-time guidance using classifiers pre-trained on clean sequences, and can be used with any discrete flow method. Together, these components form a robust framework for controllable de novo sequence generation. We demonstrate state-of-the-art performance in conditional DNA promoter design, sequence-only protein generation, and target-binding peptide design for rare disease treatment.