Kaiyuan Gao
Publications
Quotient-Space Diffusion Models
Diffusion-based generative models have reformed generative AI, and have enabled new capabilities in the science domain, for example, generating 3D structures of molecules. Due to the intrinsic problem structure of certain tasks, there is often a symmetry in the system, which identifies objects that can be converted by a group action as equivalent, hence the target distribution is essentially defined on the quotient space with respect to the group. In this work, we establish a formal framework for diffusion modeling on a general quotient space, and apply it to molecular structure generation which follows the special Euclidean group $\text{SE}(3)$ symmetry. The framework reduces the necessity of learning the component corresponding to the group action, hence simplifies learning difficulty over conventional group-equivariant diffusion models, and the sampler guarantees recovering the target distribution, while heuristic alignment strategies lack proper samplers. The arguments are empirically validated on structure generation for small molecules and proteins, indicating that the principled quotient-space diffusion model provides a new framework that outperforms previous symmetry treatments.
Separators in Enhancing Autoregressive Pretraining for Vision Mamba
The state space model Mamba has recently emerged as a promising paradigm in computer vision, attracting significant attention due to its efficient processing of long sequence tasks. Mamba's inherent causal mechanism renders it particularly suitable for autoregressive pretraining. However, current autoregressive pretraining methods are constrained to short sequence tasks, failing to fully exploit Mamba's prowess in handling extended sequences. To address this limitation, we introduce an innovative autoregressive pretraining method for Vision Mamba that substantially extends the input sequence length. We introduce new \textbf{S}epara\textbf{T}ors for \textbf{A}uto\textbf{R}egressive pretraining to demarcate and differentiate between different images, known as \textbf{STAR}. Specifically, we insert identical separators before each image to demarcate its inception. This strategy enables us to quadruple the input sequence length of Vision Mamba while preserving the original dimensions of the dataset images. Employing this long sequence pretraining technique, our STAR-B model achieved an impressive accuracy of 83.5\% on ImageNet-1k, which is highly competitive in Vision Mamba. These results underscore the potential of our method in enhancing the performance of vision models through improved leveraging of long-range dependencies.