40 accepted papers
Recent advances in few-step diffusion models have demonstrated their efficiency and effectiveness by shortcutting the probabilistic paths of diffusion models, especially in training one-step diffusion models from scratch (a.k.a. shortcut models). However, their theoretical derivation and practical i…
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…
Existing Vision-Language-Action (VLA) models often suffer from feature collapse and low training efficiency because they entangle high-level perception with sparse, embodiment-specific action supervision. Since these models typically rely on VLM backbones optimized for Visual Question Answering (VQA…
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…
This paper tackles category-level pose estimation of ar- ticulated objects in robotic manipulation tasks and intro- duces a new benchmark dataset. While recent methods es- timate part poses and sizes at the category level, they often rely on geometric cues and complex multi-stage pipelines that firs…
Structure-based drug design (SBDD) aims to generate potential drugs that can bind to a target protein and is greatly expedited by the aid of AI techniques in generative models. However, a lack of systematic understanding persists due to the diverse settings, complex implementation, difficult reprodu…
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…
Polymer conformation generation is a critical task that enables atomic-level studies of diverse polymer materials. While significant advances have been made in designing conformation generation methods for small molecules and proteins, these methods struggle to generate polymer conformations due to…
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…
This paper presents TransSoft, a novel soft robotic hand with a reconfigurable design for grasping objects of varying properties. While recent soft robotic hands have improved grasping capabilities, they often struggle with a limited range of manipulable object categories and tasks due to hardware c
This paper addresses the problem of category-level pose estimation for articulated objects in robotic manipulation tasks. Recent works have shown promising results in estimating part pose and size at the category level. However, these approaches primarily follow a complex multi-stage pipeline that f
The development of therapeutic antibodies heavily relies on accurate predictions of how antigens will interact with antibodies. Existing computational methods in antibody design often overlook crucial conformational changes that antigens undergo during the binding process, significantly impacting th…
Recent years have witnessed the great success of graph pre-training for graph representation learning. With hundreds of graph pre-training tasks proposed, integrating knowledge acquired from multiple pre-training tasks has become a popular research topic. In this paper, we identify two important col…
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…
This paper addresses the challenge of perceiving complete object shapes through visual perception. While prior studies have demonstrated encouraging outcomes in segmenting the visible parts of objects within a scene, amodal segmentation, in particular, has the potential to allow robots to infer the…
Protein-protein bindings play a key role in a variety of fundamental biological processes, and thus predicting the effects of amino acid mutations on protein-protein binding is crucial. To tackle the scarcity of annotated mutation data, pre-training with massive unlabeled data has emerged as a promi…
Transformer models have been successful in various sequence processing tasks, but the self-attention mechanism's computational cost limits its practicality for long sequences. Although there are existing attention variants that improve computational efficiency, they have a limited ability to abstrac…
Protein-Protein Interactions (PPIs) are fundamental in various biological processes and play a key role in life activities. The growing demand and cost of experimental PPI assays require computational methods for efficient PPI prediction. While existing methods rely heavily on protein sequence for P…
By contextualizing the kernel as global as possible, Modern ConvNets have shown great potential in computer vision tasks. However, recent progress on \textit{multi-order game-theoretic interaction} within deep neural networks (DNNs) reveals the representation bottleneck of modern ConvNets, where the…
Therapeutic peptides have proven to have great pharmaceutical value and potential in recent decades. However, methods of AI-assisted peptide drug discovery are not fully explored. To fill the gap, we propose a target-aware peptide design method called PPFlow, based on conditional flow matching on to…
Compound-Protein Interaction (CPI) prediction aims to predict the pattern and strength of compound-protein interactions for rational drug discovery. Existing deep learning-based methods utilize only the single modality of protein sequences or structures and lack the co-modeling of the joint distribu…
This paper investigates the task of the open-ended interactive robotic manipulation on table-top scenarios. While recent Large Language Models (LLMs) enhance robots' comprehension of user instructions, their lack of visual grounding constrains their ability to physically interact with the environmen…
Protein structure-based property prediction has emerged as a promising approach for various biological tasks, such as protein function prediction and sub-cellular location estimation. The existing methods highly rely on experimental protein structure data and fail in scenarios where these data are u…
Accurate prediction of protein-ligand binding structures, a task known as molecular docking is crucial for drug design but remains challenging. While deep learning has shown promise, existing methods often depend on holo-protein structures (docked, and not accessible in realistic tasks) or neglect p…
Multimodal summarization usually suffers from the problem that the contribution of the visual modality is unclear. Existing multimodal summarization approaches focus on designing the fusion methods of different modalities, while ignoring the adaptive conditions under which visual modalities are usef…
Recent years have witnessed the great success of Graph Neural Networks (GNNs) in handling graph-related tasks. However, MLPs remain the primary workhorse for practical industrial applications due to their desirable inference efficiency and scalability. To reduce their gaps, one can directly distill…
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…
Given a single RGB image and the attribute-rich language instructions, this paper investigates the novel problem of using Fine-grained instructions for the Language guided robotic Grasping (FLarG). This problem is made challenging by learning fine-grained language descriptions to ground target objec…
Liquid perception is critical for robotic pouring tasks. It usually requires the robust visual detection of flowing liquid. However, while recent works have shown promising results in liquid perception, they typically require labeled data for model training, a process that is both time-consuming and…
To bridge the gaps between topology-aware Graph Neural Networks (GNNs) and inference-efficient Multi-Layer Perceptron (MLPs), GLNN proposes to distill knowledge from a well-trained teacher GNN into a student MLP. Despite their great progress, comparatively little work has been done to explore the re…
Spatio-temporal forecasting is challenging attributing to the high nonlinearity in temporal dynamics as well as complex location-characterized patterns in spatial domains, especially in fields like weather forecasting. Graph convolutions are usually used for modeling the spatial dependency in meteor…
In this paper, we are interested in the problem of generating target grasps by understanding freehand sketches. The sketch is useful for the persons who cannot formulate language and the cases where a textual description is not available on the fly. However, very few works are aware of the usability…
Graph (structure) augmentation aims to perturb the graph structure through heuristic or probabilistic rules, enabling the nodes to capture richer contextual information and thus improving generalization performance. While there have been a few graph structure augmentation methods proposed recently,…
This paper studies the task of any objects grasping from the known categories by free-form language instructions. This task demands the technique in computer vision, natural language processing, and robotics. We bring these disciplines together on this open challenge, which is essential to human-rob…
Role-oriented dialogue summarization is to generate summaries for different roles in the dialogue, e.g., merchants and consumers. Existing methods handle this task by summarizing each role’s content separately and thus are prone to ignore the information from other roles. However, we believe that ot…
Given a single scene image, this paper proposes a method of Category-level 6D Object Pose and Size Estimation (COPSE) from the point cloud of the target object, without external real pose-annotated training data. Specifically, beyond the visual cues in RGB images, we rely on the shape information pr…
Dialogue summarization has drawn much attention recently. Especially in the customer service domain, agents could use dialogue summaries to help boost their works by quickly knowing customer’s issues and service progress. These applications require summaries to contain the perspective of a single sp…
Pose transfer has been studied for decades, in which the pose of a source mesh is applied to a target mesh. Particularly in this paper, we are interested in transferring the pose of source human mesh to deform the target human mesh, while the source and target meshes may have different identity info…