相关论文: AANet: Virtual Screening under Structural Uncertai…

This paper presents the methods that have participated in the SHREC 2022 contest on protein-ligand binding site recognition. The prediction of protein-ligand binding regions is an active research domain in computational biophysics and…

Despite online learning (OL) techniques have boosted the performance of semi-supervised video object segmentation (VOS) methods, the huge time costs of OL greatly restrict their practicality. Matching based and propagation based methods run…

Visual grounding (VG) is the capability to identify the specific regions in an image associated with a particular text description. In medical imaging, VG enhances interpretability by highlighting relevant pathological features…

3D segmentation with deep learning if trained with full resolution is the ideal way of achieving the best accuracy. Unlike in 2D, 3D segmentation generally does not have sparse outliers, prevents leakage to surrounding soft tissues, at the…

Figuring out small molecule binding sites in target proteins, in the resolution of either pocket or residue, is critical in many virtual and real drug-discovery scenarios. Since it is not always easy to find such binding sites based on…

Video Anomaly Detection (VAD) has traditionally been framed as binary classification or outlier detection, providing neither interpretable reasoning nor precise spatial localization of anomalous events. While Vision-Language Models (VLMs)…

Molecular docking, a key technique in structure-based drug design, plays pivotal roles in protein-ligand interaction modeling, hit identification and optimization, in which accurate prediction of protein-ligand binding mode is essential.…

For the video salient object detection (VSOD) task, how to excavate the information from the appearance modality and the motion modality has always been a topic of great concern. The two-stream structure, including an RGB appearance stream…

Cavities on the structures of proteins are formed due to interaction between proteins and some small molecules, known as ligands. These are basically the locations where ligands bind with proteins. Actual detection of such locations is…

Predicting the binding sites of target proteins plays a fundamental role in drug discovery. Most existing deep-learning methods consider a protein as a 3D image by spatially clustering its atoms into voxels and then feed the voxelized…

Structure-based and ligand-based computational drug design have traditionally relied on disjoint data sources and modeling assumptions, limiting their joint use at scale. In this work, we introduce Contrastive Geometric Learning for Unified…

Structure-based drug design involves finding ligand molecules that exhibit structural and chemical complementarity to protein pockets. Deep generative methods have shown promise in proposing novel molecules from scratch (de-novo design),…

Non-rigid registration is essential for Augmented Reality guided laparoscopic liver surgery by fusing preoperative information, such as tumor location and vascular structures, into the limited intraoperative view, thereby enhancing surgical…

Visual Odometry (VO) is used in many applications including robotics and autonomous systems. However, traditional approaches based on feature matching are computationally expensive and do not directly address failure cases, instead relying…

The task of semi-supervised video object segmentation (VOS) has been greatly advanced and state-of-the-art performance has been made by dense matching-based methods. The recent methods leverage space-time memory (STM) networks and learn to…

Safe autonomous systems in complex environments require robust road anomaly segmentation to identify unknown obstacles. However, existing approaches often rely on pixel-level statistics to determine whether a region appears anomalous. This…

State-of-the-art stereo matching methods typically use costly 3D convolutions to aggregate a full cost volume, but their computational demands make mobile deployment challenging. Directly applying 2D convolutions for cost aggregation often…

The cornerstone of computational drug design is the calculation of binding affinity between two biological counterparts, especially a chemical compound, i.e., a ligand, and a protein. Predicting the strength of protein-ligand binding with…

Designing low-latency and high-efficiency hybrid networks for a variety of low-cost commodity edge devices is both costly and tedious, leading to the adoption of hardware-aware neural architecture search (NAS) for finding optimal…

Vehicle recognition is a fundamental problem in SAR image interpretation. However, robustly recognizing vehicle targets is a challenging task in SAR due to the large intraclass variations and small interclass variations. Additionally, the…