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Protein representation learning aims to learn informative protein embeddings capable of addressing crucial biological questions, such as protein function prediction. Although sequence-based transformer models have shown promising results by…

Quantitative Methods · Quantitative Biology 2024-10-22 Michail Chatzianastasis , Yang Zhang , George Dasoulas , Michalis Vazirgiannis

Learning inter-image similarity is crucial for 3D medical images self-supervised pre-training, due to their sharing of numerous same semantic regions. However, the lack of the semantic prior in metrics and the semantic-independent variation…

Computer Vision and Pattern Recognition · Computer Science 2023-03-03 Yuting He , Guanyu Yang , Rongjun Ge , Yang Chen , Jean-Louis Coatrieux , Boyu Wang , Shuo Li

Foundation models have demonstrated remarkable potential in medical domain. However, their application to complex cardiovascular diagnostics remains underexplored. In this paper, we present Cardiac-CLIP, a multi-modal foundation model…

Vision-Language Models (VLMs) trained via contrastive learning have achieved notable success in natural image tasks. However, their application in the medical domain remains limited due to the scarcity of openly accessible, large-scale…

Computer Vision and Pattern Recognition · Computer Science 2024-12-16 Muhammad Uzair Khattak , Shahina Kunhimon , Muzammal Naseer , Salman Khan , Fahad Shahbaz Khan

Medical image analysis increasingly relies on the integration of multiple imaging modalities to capture complementary anatomical and functional information, enabling more accurate diagnosis and treatment planning. Achieving aligned feature…

Image and Video Processing · Electrical Eng. & Systems 2025-09-04 Yunhao Liu , Suyang Xi , Shiqi Liu , Hong Ding , Chicheng Jin , Chong Zhong , Junjun He , Catherine C. Liu , Yiqing Shen

High-quality molecular representations are essential for property prediction and molecular design, yet large labeled datasets remain scarce. While self-supervised pretraining on molecular graphs has shown promise, many existing approaches…

Machine Learning · Computer Science 2025-09-29 Boshra Ariguib , Mathias Niepert , Andrei Manolache

Capturing molecular knowledge with representation learning approaches holds significant potential in vast scientific fields such as chemistry and life science. An effective and generalizable molecular representation is expected to capture…

Machine Learning · Computer Science 2024-06-17 Yizhen Luo , Kai Yang , Massimo Hong , Xing Yi Liu , Zikun Nie , Hao Zhou , Zaiqing Nie

Human motion generation is essential for fields such as animation, robotics, and virtual reality, requiring models that effectively capture motion dynamics from text descriptions. Existing approaches often rely on Contrastive Language-Image…

Computer Vision and Pattern Recognition · Computer Science 2025-05-19 Gabriel Maldonado , Armin Danesh Pazho , Ghazal Alinezhad Noghre , Vinit Katariya , Hamed Tabkhi

Advances in deep learning models have revolutionized the study of biomolecule systems and their mechanisms. Graph representation learning, in particular, is important for accurately capturing the geometric information of biomolecules at…

Quantitative Methods · Quantitative Biology 2023-04-07 Xinye Xiong , Bingxin Zhou , Yu Guang Wang

The scarcity of annotations poses a significant challenge in medical image analysis. Large-scale pre-training has emerged as a promising label-efficient solution, owing to the utilization of large-scale data, large models, and advanced…

Computer Vision and Pattern Recognition · Computer Science 2024-10-15 Linshan Wu , Jiaxin Zhuang , Hao Chen

Biomedical data is inherently multimodal, comprising physical measurements and natural language narratives. A generalist biomedical AI model needs to simultaneously process different modalities of data, including text and images. Therefore,…

Multimodal models, such as the Contrastive Language-Image Pre-training (CLIP) model, have demonstrated remarkable success in aligning visual and linguistic representations. However, these models exhibit limitations when applied to…

Computer Vision and Pattern Recognition · Computer Science 2026-03-02 Hiroshi Sasaki

Pretraining 3D encoders by aligning with Contrastive Language Image Pretraining (CLIP) has emerged as a promising direction to learn generalizable representations for 3D scene understanding. In this paper, we propose UniScene3D, a…

Computer Vision and Pattern Recognition · Computer Science 2026-04-06 Ye Mao , Weixun Luo , Ranran Huang , Junpeng Jing , Krystian Mikolajczyk

Multimodal molecular representation learning, which jointly models molecular graphs and their textual descriptions, enhances predictive accuracy and interpretability by enabling more robust and reliable predictions of drug toxicity,…

Machine Learning · Computer Science 2025-10-21 Yingxu Wang , Kunyu Zhang , Jiaxin Huang , Nan Yin , Siwei Liu , Eran Segal

We consider molecule generation in 3D space using language models (LMs), which requires discrete tokenization of 3D molecular geometries. Although tokenization of molecular graphs exists, that for 3D geometries is largely unexplored. Here,…

Artificial Intelligence · Computer Science 2024-08-20 Xiner Li , Limei Wang , Youzhi Luo , Carl Edwards , Shurui Gui , Yuchao Lin , Heng Ji , Shuiwang Ji

Effective molecular representation learning is of great importance to facilitate molecular property prediction, which is a fundamental task for the drug and material industry. Recent advances in graph neural networks (GNNs) have shown great…

Machine Learning · Computer Science 2022-05-17 Xiaomin Fang , Lihang Liu , Jieqiong Lei , Donglong He , Shanzhuo Zhang , Jingbo Zhou , Fan Wang , Hua Wu , Haifeng Wang

Recent multimodal models such as Contrastive Language-Image Pre-training (CLIP) have shown remarkable ability to align visual and linguistic representations. However, domains where small visual differences carry large semantic significance,…

Computer Vision and Pattern Recognition · Computer Science 2026-03-03 Hiroshi Sasaki

Can we inject the pocket-ligand interaction knowledge into the pre-trained model and jointly learn their chemical space? Pretraining molecules and proteins has attracted considerable attention in recent years, while most of these approaches…

Machine Learning · Computer Science 2022-06-27 Zhangyang Gao , Cheng Tan , Lirong Wu , Stan Z. Li

High-content screening (HCS) assays based on high-throughput microscopy techniques such as Cell Painting have enabled the interrogation of cells' morphological responses to perturbations at an unprecedented scale. The collection of such…

Machine Learning · Computer Science 2025-09-25 Mingyu Lu , Ethan Weinberger , Chanwoo Kim , Su-In Lee

Contrastive Language-Image Pretraining (CLIP) has demonstrated strong generalization for vision-language tasks in computer vision and medical domains, yet its text encoder accepts only up to 77 tokens, which limits its ability to represent…

Computer Vision and Pattern Recognition · Computer Science 2025-11-19 Xiaoyang Wei , Camille Kurtz , Florence Cloppet