18 accepted papers
Predicting single-cell perturbation outcomes directly advances gene function analysis and facilitates drug candidate selection, making it a key driver of both basic and translational biomedical research. However, a major bottleneck in this task is the unpaired nature of single-cell data, as the same
Estimating single-cell responses across various perturbations facilitates the identification of key genes and enhances drug screening, significantly boosting experimental efficiency. However, single-cell sequencing is a destructive process, making it impossible to capture the same cell's phenotype b…
Discrete Diffusion Models (DDMs) have shown great potential in image generation, especially when equipped with reinforcement learning (RL) techniques.However, a fundamental yet overlooked limitation is revealed in our experiments: severe imbalance of credit assignment across timesteps during trainin
Designing 3D ligands that bind to a given protein pocket with high affinity is a fundamental task in Structure-Based Drug Design (SBDD). However, the lack of synthesizability of 3D ligands has been hindering progress toward experimental validation; moreover, computationally evaluating synthesizabili…
Video generation has advanced rapidly, but current models remain limited to short clips, far from the length and complexity of real-world narratives. Long video generation is thus both important and challenging. Existing approaches either attempt to extend the modeling length of video diffusion mode…
The proteins that exist today have been optimized over billions of years of natural evolution, during which nature creates random mutations and selects them. The discovery of functionally promising mutations is challenged by the limited evolutionary accessible regions, i.e., only a small region on t…
Visual representation models leveraging attention mechanisms are challenged by significant computational overhead, particularly when pursuing large receptive fields. In this study, we aim to mitigate this challenge by introducing the Heat Conduction Operator (HCO) built upon the physical heat conduc…
Score Distillation Sampling (SDS) has been successfully extended to text-driven 3D scene editing with 2D pretrained diffusion models. However, SDS-based editing methods suffer from lengthy optimization processes with slow inference and low quality. We attribute the issue of lengthy optimization to t…
Motif-scaffolding is a fundamental component of protein design, which aims to construct the scaffold structure that stabilizes motifs conferring desired functions. Recent advances in generative models are promising for designing scaffolds, with two main approaches: training-based and sampling-based…
Antibodies are Y-shaped proteins that protect the host by binding to specific antigens, and their binding is mainly determined by the Complementary Determining Regions (CDRs) in the antibody. Despite the great progress made in CDR design, existing computational methods still encounter several challe…
In skeleton-based action recognition, a key challenge is distinguishing between actions with similar trajectories of joints due to the lack of image-level details in skeletal representations. Recognizing that the differentiation of similar actions relies on subtle motion details in specific body par…
Increasing works for antibody design are emerging to generate sequences and structures in Complementarity Determining Regions (CDRs), but problems still exist. We focus on two of them: (i) authenticity of the generated structure and (ii) rationality of the affinity maturation, and propose GeoAB as a…
To mitigate the computational complexity in the self-attention mechanism on long sequences, linear attention utilizes computation tricks to achieve linear complexity, while state space models (SSMs) popularize a favourable practice of using non-data-dependent memory pattern, *i.e.,* emphasize the ne…
Vision Transformers (ViTs) have achieved remarkable success in computer vision tasks. However, their potential in rotation-sensitive scenarios has not been fully explored, and this limitation may be inherently attributed to the lack of spatial invariance in the data-forwarding process. In this study…
Designing computationally efficient network architectures remains an ongoing necessity in computer vision. In this paper, we adapt Mamba, a state-space language model, into VMamba, a vision backbone with linear time complexity. At the core of VMamba is a stack of Visual State-Space (VSS) blocks with…
In recent years, AI-assisted drug design methods have been proposed to generate molecules given the pockets' structures of target proteins. Most of them are {\em atom-level-based} methods, which consider atoms as basic components and generate atom positions and types. In this way, however, it is ha…
Face portrait editing has achieved great progress in recent years. However, previous methods either 1) operate on pre-defined face attributes, lacking the flexibility of controlling shapes of high-level semantic facial components (e.g., eyes, nose, mouth), or 2) take manually edited mask or sketch a…
Since it is difficult to collect face images of the same subject over a long range of age span, most existing face aging methods resort to unpaired datasets to learn age mappings. However, the matching ambiguity between young and aged face images inherent to unpaired training data may lead to unnatu…