相关论文: GeomCLIP: Contrastive Geometry-Text Pre-training f…

Multimodal contrastive learning aims to train a general-purpose feature extractor, such as CLIP, on vast amounts of raw, unlabeled paired image-text data. This can greatly benefit various complex downstream tasks, including cross-modal…

Cross-modal pre-training has shown impressive performance on a wide range of downstream tasks, benefiting from massive image-text pairs collected from the Internet. In practice, online data are growing constantly, highlighting the…

Since the publication of CLIP, the approach of using InfoNCE loss for contrastive pre-training has become widely popular for bridging two or more modalities. Despite its wide adoption, CLIP's original design choices of L2 normalization and…

In document image rectification, there exist rich geometric constraints between the distorted image and the ground truth one. However, such geometric constraints are largely ignored in existing advanced solutions, which limits the…

The field of geometric deep learning has had a profound impact on the development of innovative and powerful graph neural network architectures. Disciplines such as computer vision and computational biology have benefited significantly from…

Accurately predicting molecular properties is a challenging but essential task in drug discovery. Recently, many mono-modal deep learning methods have been successfully applied to molecular property prediction. However, the inherent…

Recent works have shown the promise of learning pre-trained models for 3D molecular representation. However, existing pre-training models focus predominantly on equilibrium data and largely overlook off-equilibrium conformations. It is…

As the volume of Electronic Health Records (EHR) sharply grows, there has been emerging interest in learning the representation of EHR for healthcare applications. Representation learning of EHR requires appropriate modeling of the two…

Generative models for molecules based on sequential line notation (e.g. SMILES) or graph representation have attracted an increasing interest in the field of structure-based drug design, but they struggle to capture important 3D spatial…

Recent advances in 3D perception have shown impressive progress in understanding geometric structures of 3Dshapes and even scenes. Inspired by these advances in geometric understanding, we aim to imbue image-based perception with…

In this work, we propose a simple transformer-based baseline for multimodal molecular representation learning, integrating three distinct modalities: SMILES strings, 2D graph representations, and 3D conformers of molecules. A key aspect of…

Image-based profiling techniques have become increasingly popular over the past decade for their applications in target identification, mechanism-of-action inference, and assay development. These techniques have generated large datasets of…

Foundation models trained on large-scale dataset gain a recent surge in CV and NLP. In contrast, development in biomedical domain lags far behind due to data scarcity. To address this issue, we build and release PMC-OA, a biomedical dataset…

Multimodal approaches that integrate protein structure and sequence have achieved remarkable success in protein-protein interface prediction. However, extending these methods to protein-peptide interactions remains challenging due to the…

3D Shape represented as point cloud has achieve advancements in multimodal pre-training to align image and language descriptions, which is curial to object identification, classification, and retrieval. However, the discrete representations…

Foundation models have recently gained tremendous popularity in medical image analysis. State-of-the-art methods leverage either paired image-text data via vision-language pre-training or unpaired image data via self-supervised pre-training…

Despite their proficiency in general tasks, Multi-modal Large Language Models (MLLMs) struggle with automatic Geometry Problem Solving (GPS), which demands understanding diagrams, interpreting symbols, and performing complex reasoning. This…

Contrastive learning has emerged as a promising paradigm for 3D open-world understanding, i.e., aligning point cloud representation to image and text embedding space individually. In this paper, we introduce MixCon3D, a simple yet effective…

The geometry of three-dimensional (3D) graphs, consisting of nodes and edges, plays a crucial role in many important applications. An excellent example is molecular graphs, whose geometry influences important properties of a molecule…

Molecular representation learning is pivotal in predicting molecular properties and advancing drug design. Traditional methodologies, which predominantly rely on homogeneous graph encoding, are limited by their inability to integrate…