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Contrastive learning (CL) has become a powerful approach for learning representations from unlabeled images. However, existing CL methods focus predominantly on visual appearance features while neglecting topological characteristics (e.g.,…

Computer Vision and Pattern Recognition · Computer Science 2026-03-17 Guangyu Meng , Pengfei Gu , Peixian Liang , John P. Lalor , Erin Wolf Chambers , Danny Z. Chen

Geometry and color information provided by the point clouds are both crucial for 3D scene understanding. Two pieces of information characterize the different aspects of point clouds, but existing methods lack an elaborate design for the…

Computer Vision and Pattern Recognition · Computer Science 2023-06-02 Guofan Fan , Zekun Qi , Wenkai Shi , Kaisheng Ma

Molecular representation learning has shown great success in advancing AI-based drug discovery. The core of many recent works is based on the fact that the 3D geometric structure of molecules provides essential information about their…

Machine Learning · Computer Science 2024-10-23 Jiying Zhang , Zijing Liu , Yu Wang , Yu Li

Self-supervised learning (SSL) is a method that learns the data representation by utilizing supervision inherent in the data. This learning method is in the spotlight in the drug field, lacking annotated data due to time-consuming and…

Biomolecules · Quantitative Biology 2022-08-19 Kisung Moon , Sunyoung Kwon

Recent advances in molecular generative models have demonstrated great promise for accelerating scientific discovery, particularly in drug design. However, these models often struggle to generate high-quality molecules, especially in…

Machine Learning · Computer Science 2025-07-29 Zian Li , Cai Zhou , Xiyuan Wang , Xingang Peng , Muhan Zhang

Contrastive Language Image Pretraining (CLIP) has received widespread attention, since its learned representations can be transferred well to various downstream tasks. During the training process of the CLIP model, the InfoNCE objective…

Computer Vision and Pattern Recognition · Computer Science 2023-11-22 Delong Chen , Zhao Wu , Fan Liu , Zaiquan Yang , Huaxi Huang , Ying Tan , Erjin Zhou

Contrastive Language-Image Pre-training (CLIP) has demonstrated remarkable generalization ability and strong performance across a wide range of vision-language tasks. However, due to the lack of region-level supervision, CLIP exhibits…

Computer Vision and Pattern Recognition · Computer Science 2025-12-01 Haoxi Zeng , Haoxuan Li , Yi Bin , Pengpeng Zeng , Xing Xu , Yang Yang , Heng Tao Shen

The scarcity of annotated data has sparked significant interest in unsupervised pre-training methods that leverage medical reports as auxiliary signals for medical visual representation learning. However, existing research overlooks the…

Computer Vision and Pattern Recognition · Computer Science 2024-02-06 Zhe Li , Laurence T. Yang , Bocheng Ren , Xin Nie , Zhangyang Gao , Cheng Tan , Stan Z. Li

Large-scale multi-modal contrastive pre-training has demonstrated great utility to learn transferable features for a range of downstream tasks by mapping multiple modalities into a shared embedding space. Typically, this has employed…

Computer Vision and Pattern Recognition · Computer Science 2022-07-27 Haoxuan You , Luowei Zhou , Bin Xiao , Noel Codella , Yu Cheng , Ruochen Xu , Shih-Fu Chang , Lu Yuan

We present VideoCLIP, a contrastive approach to pre-train a unified model for zero-shot video and text understanding, without using any labels on downstream tasks. VideoCLIP trains a transformer for video and text by contrasting temporally…

Computer Vision and Pattern Recognition · Computer Science 2021-10-04 Hu Xu , Gargi Ghosh , Po-Yao Huang , Dmytro Okhonko , Armen Aghajanyan , Florian Metze , Luke Zettlemoyer , Christoph Feichtenhofer

We introduce ProteinWorkshop, a comprehensive benchmark suite for representation learning on protein structures with Geometric Graph Neural Networks. We consider large-scale pre-training and downstream tasks on both experimental and…

Molecular representation learning contributes to multiple downstream tasks such as molecular property prediction and drug design. To properly represent molecules, graph contrastive learning is a promising paradigm as it utilizes…

Machine Learning · Computer Science 2022-03-14 Yin Fang , Qiang Zhang , Haihong Yang , Xiang Zhuang , Shumin Deng , Wen Zhang , Ming Qin , Zhuo Chen , Xiaohui Fan , Huajun Chen

In recent years, molecular representation learning has emerged as a key area of focus in various chemical tasks. However, many existing models fail to fully consider the geometric information of molecular structures, resulting in less…

Machine Learning · Computer Science 2023-06-29 Bumju Kwak , Jiwon Park , Taewon Kang , Jeonghee Jo , Byunghan Lee , Sungroh Yoon

The rapid development of Large Multimodal Models (LMMs) has led to remarkable progress in 2D visual understanding; however, extending these capabilities to 3D scene understanding remains a significant challenge. Existing approaches…

Computer Vision and Pattern Recognition · Computer Science 2025-09-05 Hongpei Zheng , Lintao Xiang , Qijun Yang , Qian Lin , Hujun Yin

Recent advances in materials discovery have been driven by structure-based models, particularly those using crystal graphs. While effective for computational datasets, these models are impractical for real-world applications where atomic…

Machine Learning · Computer Science 2025-07-03 Jithendaraa Subramanian , Linda Hung , Daniel Schweigert , Santosh Suram , Weike Ye

D scene graphs are an emerging 3D scene representation, that models both the objects present in the scene as well as their relationships. However, learning 3D scene graphs is a challenging task because it requires not only object labels but…

Computer Vision and Pattern Recognition · Computer Science 2023-10-26 Sebastian Koch , Pedro Hermosilla , Narunas Vaskevicius , Mirco Colosi , Timo Ropinski

Harnessing the power of pre-training on large-scale datasets like ImageNet forms a fundamental building block for the progress of representation learning-driven solutions in computer vision. Medical images are inherently different from…

Computer Vision and Pattern Recognition · Computer Science 2023-08-01 Jeya Maria Jose Valanarasu , Yucheng Tang , Dong Yang , Ziyue Xu , Can Zhao , Wenqi Li , Vishal M. Patel , Bennett Landman , Daguang Xu , Yufan He , Vishwesh Nath

The problem of accelerating drug discovery relies heavily on automatic tools to optimize precursor molecules to afford them with better biochemical properties. Our work in this paper substantially extends prior state-of-the-art on…

Chemical Physics · Physics 2019-10-22 Wengong Jin , Regina Barzilay , Tommi Jaakkola

In recent years, patch representation learning has emerged as a necessary research direction for exploiting the capabilities of machine learning in software generation. These representations have driven significant performance enhancements…

Software Engineering · Computer Science 2024-04-02 Xunzhu Tang , Zhenghan Chen , Saad Ezzini , Haoye Tian , Jacques Klein , Tegawende F. Bissyande

Recent approaches in literature have exploited the multi-modal information in documents (text, layout, image) to serve specific downstream document tasks. However, they are limited by their - (i) inability to learn cross-modal…

Computation and Language · Computer Science 2022-01-06 Subhojeet Pramanik , Shashank Mujumdar , Hima Patel