相关论文: SaDiT: Efficient Protein Backbone Design via Laten…

While DeepMind has tentatively solved protein folding, its inverse problem -- protein design which predicts protein sequences from their 3D structures -- still faces significant challenges. Particularly, the lack of large-scale standardized…

We present FrameFlow, a method for fast protein backbone generation using SE(3) flow matching. Specifically, we adapt FrameDiff, a state-of-the-art diffusion model, to the flow-matching generative modeling paradigm. We show how flow…

Pre-trained diffusion models have demonstrated remarkable proficiency in synthesizing images across a wide range of scenarios with customizable prompts, indicating their effective capacity to capture universal features. Motivated by this,…

Proteins are macromolecules that perform essential functions in all living organisms. Designing novel proteins with specific structures and desired functions has been a long-standing challenge in the field of bioengineering. Existing…

Inverse Protein Folding (IPF) is a critical subtask in the field of protein design, aiming to engineer amino acid sequences capable of folding correctly into a specified three-dimensional (3D) conformation. Although substantial progress has…

Generative machine learning models are increasingly being used to design novel proteins for therapeutic and biotechnological applications. However, the current methods mostly focus on the design of proteins with a fixed backbone structure,…

Acceleration methods for diffusion models (e.g., token merging or downsampling) typically optimize synthesis quality under reduced compute, yet often ignore discriminative capacity. We revisit token compression with a joint objective and…

Lesion detection in digital breast tomosynthesis (DBT) is an important and a challenging problem characterized by a low prevalence of images containing tumors. Due to the label scarcity problem, large deep learning models and…

Diffusion models have become a leading approach for high-fidelity medical image synthesis. However, most existing methods for 3D medical image generation rely on convolutional U-Net backbones within latent diffusion frameworks. While…

Despite recent advancements in deep learning methods for protein structure prediction and representation, little focus has been directed at the simultaneous inclusion and prediction of protein backbone and sidechain structure information.…

Proteins inherently possess a consistent sequence-structure duality. The abundance of protein sequence data, which can be readily represented as discrete tokens, has driven fruitful developments in protein language models (pLMs). A key…

Discrete diffusion language models have emerged as a competitive alternative to auto-regressive language models, but training them efficiently under limited parameter and memory budgets remains challenging. Modern architectures are…

Designing novel proteins with desired functions is crucial in biology and chemistry. However, most existing work focus on protein sequence design, leaving protein sequence and structure co-design underexplored. In this paper, we propose…

Diffusion Transformer (DiT) has emerged as the new trend of generative diffusion models on image generation. In view of extremely slow convergence in typical DiT, recent breakthroughs have been driven by mask strategy that significantly…

Proteins are essential for almost all biological processes and derive their diverse functions from complex 3D structures, which are in turn determined by their amino acid sequences. In this paper, we exploit the rich biological inductive…

Recent Diffusion Transformers (DiTs) have shown impressive capabilities in generating high-quality single-modality content, including images, videos, and audio. However, it is still under-explored whether the transformer-based diffuser can…

In recent years, deep learning techniques have made significant strides in molecular generation for specific targets, driving advancements in drug discovery. However, existing molecular generation methods present significant limitations:…

Suffix Array (SA) is a cardinal data structure in many pattern matching applications, including data compression, plagiarism detection and sequence alignment. However, as the volumes of data increase abruptly, the construction of SA is not…

A core challenge in structural biophysics is generating biomolecular conformations that are both physically plausible and consistent with experimental measurements. While sequence-to-structure diffusion models provide powerful priors,…

Diffusion-based image compression has recently shown outstanding perceptual fidelity, yet its practicality is hindered by prohibitive sampling overhead and high memory usage. Most existing diffusion codecs employ U-Net architectures, where…