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

Contrastive Language-Image Pre-training (CLIP) has been a celebrated method for training vision encoders to generate image/text representations facilitating various applications. Recently, CLIP has been widely adopted as the vision backbone…

Designing molecules with desirable physiochemical properties and functionalities is a long-standing challenge in chemistry, material science, and drug discovery. Recently, machine learning-based generative models have emerged as promising…

Medical image understanding plays a crucial role in enabling automated diagnosis and data-driven clinical decision support. However, its progress is impeded by two primary challenges: the limited availability of high-quality annotated…

Existing vision-text contrastive learning like CLIP aims to match the paired image and caption embeddings while pushing others apart, which improves representation transferability and supports zero-shot prediction. However, medical…

Contrastive language-image pretraining (CLIP) using image-text pairs has achieved impressive results on image classification in both zero-shot and transfer learning settings. However, we show that directly applying such models to recognize…

Antibody-antigen interactions play a crucial role in identifying and neutralizing harmful foreign molecules. In this paper, we investigate the optimal representation for predicting the binding sites in the two molecules and emphasize the…

Large Multimodal Models (LMMs) typically build on ViTs (e.g., CLIP), yet their training with simple random in-batch negatives limits the ability to capture fine-grained visual differences, particularly in geometric scenarios. To address…

Establishing the relationship between 3D structures and the energy states of molecular systems has proven to be a promising approach for learning 3D molecular representations. However, existing methods are limited to modeling the molecular…

3D-aware visual pretraining has proven effective in improving the performance of downstream robotic manipulation tasks. However, existing methods are constrained to Euclidean embedding spaces, whose flat geometry limits their ability to…

Geographic information is essential for modeling tasks in fields ranging from ecology to epidemiology. However, extracting relevant location characteristics for a given task can be challenging, often requiring expensive data fusion or…

Structure-based drug discovery faces the dual challenge of accurately capturing 3D protein-ligand interactions while navigating ultra-large chemical spaces to identify synthetically accessible candidates. In this work, we present a unified…

Learning representations of molecular structures using deep learning is a fundamental problem in molecular property prediction tasks. Molecules inherently exist in the real world as three-dimensional structures; furthermore, they are not…

Machine learning in drug discovery has been focused on virtual screening of molecular libraries using discriminative models. Generative models are an entirely different approach that learn to represent and optimize molecules in a continuous…

Although fusion of information from multiple views of mammograms plays an important role to increase accuracy of breast cancer detection, developing multi-view mammograms-based computer-aided diagnosis (CAD) schemes still faces challenges…

The integration of deep learning, particularly AI-Generated Content, with high-quality data derived from ab initio calculations has emerged as a promising avenue for transforming the landscape of scientific research. However, the challenge…

With the surge in available data from various modalities, there is a growing need to bridge the gap between different data types. In this work, we introduce a novel approach to learn cross-modal representations between image data and…

Recent advancements in vision-language pre-training (e.g. CLIP) have shown that vision models can benefit from language supervision. While many models using language modality have achieved great success on 2D vision tasks, the joint…

Deep learning methods have demonstrated promising results in predicting BI-RADS scores from mammography images. However, the interpretation of these images can vary, leading to discrepancies even among radiologists. Given the inherent…

Generative pre-trained Transformer (GPT) has demonstrates its great success in natural language processing and related techniques have been adapted into molecular modeling. Considering that text is the most important record for scientific…

Molecular representation learning is fundamental for many drug related applications. Most existing molecular pre-training models are limited in using single molecular modality, either SMILES or graph representation. To effectively leverage…