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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…

Machine Learning · Computer Science 2024-09-16 Xiaohua Lu , Liangxu Xie , Lei Xu , Rongzhi Mao , Shan Chang , Xiaojun Xu

Contrastive learning (CL) has been successful as a powerful representation learning method. In this work we propose CLIM: Contrastive Learning with mutual Information Maximization, to explore the potential of CL on cross-domain sentiment…

Computation and Language · Computer Science 2020-11-13 Tian Li , Xiang Chen , Shanghang Zhang , Zhen Dong , Kurt Keutzer

Continual learning (CL) involves acquiring and accumulating knowledge from evolving tasks while alleviating catastrophic forgetting. Recently, leveraging contrastive loss to construct more transferable and less forgetful representations has…

Machine Learning · Computer Science 2025-09-22 Jia Tang , Xinrui Wang , Songcan Chen

Large language models (LLMs) have emerged as powerful general-purpose interfaces for many machine learning problems. Recent work has adapted LLMs to generative visual tasks like image captioning, visual question answering, and visual chat,…

Computer Vision and Pattern Recognition · Computer Science 2024-03-28 Piotr Teterwak , Ximeng Sun , Bryan A. Plummer , Kate Saenko , Ser-Nam Lim

Pretraining molecular representations is crucial for drug and material discovery. Recent methods focus on learning representations from geometric structures, effectively capturing 3D position information. Yet, they overlook the rich…

Machine Learning · Computer Science 2024-11-19 Teng Xiao , Chao Cui , Huaisheng Zhu , Vasant G. Honavar

Multimodal emotion recognition aims to recognize emotions for each utterance of multiple modalities, which has received increasing attention for its application in human-machine interaction. Current graph-based methods fail to…

Computation and Language · Computer Science 2023-11-21 Dongyuan Li , Yusong Wang , Kotaro Funakoshi , Manabu Okumura

The integration of different imaging modalities, such as structural, diffusion tensor, and functional magnetic resonance imaging, with deep learning models has yielded promising outcomes in discerning phenotypic characteristics and…

Image and Video Processing · Electrical Eng. & Systems 2024-10-08 Zhiyuan Li , Hailong Li , Anca L. Ralescu , Jonathan R. Dillman , Mekibib Altaye , Kim M. Cecil , Nehal A. Parikh , Lili He

Human skeleton point clouds are commonly used to automatically classify and predict the behaviour of others. In this paper, we use a contrastive self-supervised learning method, SimCLR, to learn representations that capture the semantics of…

Computer Vision and Pattern Recognition · Computer Science 2022-11-11 Nico Lingg , Miguel Sarabia , Luca Zappella , Barry-John Theobald

Graph neural networks (GNNs) have recently emerged as an effective approach to model neighborhood signals in collaborative filtering. Towards this research line, graph contrastive learning (GCL) demonstrates robust capabilities to address…

Information Retrieval · Computer Science 2024-07-22 Xinzhou Jin , Jintang Li , Liang Chen , Chenyun Yu , Yuanzhen Xie , Tao Xie , Chengxiang Zhuo , Zang Li , Zibin Zheng

The Contrastive Language-Image Pre-training (CLIP) framework has become a widely used approach for multimodal representation learning, particularly in image-text retrieval and clustering. However, its efficacy is constrained by three key…

Computer Vision and Pattern Recognition · Computer Science 2025-12-09 Tiancheng Gu , Kaicheng Yang , Ziyong Feng , Xingjun Wang , Yanzhao Zhang , Dingkun Long , Yingda Chen , Weidong Cai , Jiankang Deng

Medical datasets and especially biobanks, often contain extensive tabular data with rich clinical information in addition to images. In practice, clinicians typically have less data, both in terms of diversity and scale, but still wish to…

Computer Vision and Pattern Recognition · Computer Science 2023-03-31 Paul Hager , Martin J. Menten , Daniel Rueckert

Inspired by the success of contrastive learning (CL) in computer vision and natural language processing, graph contrastive learning (GCL) has been developed to learn discriminative node representations on graph datasets. However, the…

Machine Learning · Computer Science 2023-01-03 Zehong Wang , Qi Li , Donghua Yu , Xiaolong Han , Xiao-Zhi Gao , Shigen Shen

We study self-supervised learning on graphs using contrastive methods. A general scheme of prior methods is to optimize two-view representations of input graphs. In many studies, a single graph-level representation is computed as one of the…

Machine Learning · Computer Science 2021-07-22 Xinyi Xu , Cheng Deng , Yaochen Xie , Shuiwang Ji

Despite their consistent performance improvements, cross-modal retrieval models (e.g., CLIP) show degraded performances with retrieving keys composed of fused image-text modality (e.g., Wikipedia pages with both images and text). To address…

Computer Vision and Pattern Recognition · Computer Science 2025-10-01 Jungsoo Lee , Janghoon Cho , Hyojin Park , Munawar Hayat , Kyuwoong Hwang , Fatih Porikli , Sungha Choi

Multi-label classification (MLC) is a prediction task where each sample can have more than one label. We propose a novel contrastive learning boosted multi-label prediction model based on a Gaussian mixture variational autoencoder…

Machine Learning · Computer Science 2022-06-13 Junwen Bai , Shufeng Kong , Carla P. Gomes

Multimodal multilabel classification (MMC) is a challenging task that aims to design a learning algorithm to handle two data sources, the image and text, and learn a comprehensive semantic feature presentation across the modalities. In this…

Computer Vision and Pattern Recognition · Computer Science 2024-06-25 Yanming Guo

Multimodal learning aims to imitate human beings to acquire complementary information from multiple modalities for various downstream tasks. However, traditional aggregation-based multimodal fusion methods ignore the inter-modality…

Computer Vision and Pattern Recognition · Computer Science 2023-05-17 Heqing Zou , Meng Shen , Chen Chen , Yuchen Hu , Deepu Rajan , Eng Siong Chng

With the emergence of Transformer architectures and their powerful understanding of textual data, a new horizon has opened up to predict the molecular properties based on text description. While SMILES are the most common form of…

Chemical Physics · Physics 2023-10-11 Suryanarayanan Balaji , Rishikesh Magar , Yayati Jadhav , Amir Barati Farimani

Molecular property prediction has attracted substantial attention recently. Accurate prediction of drug properties relies heavily on effective molecular representations. The structures of chemical compounds are commonly represented as…

Machine Learning · Computer Science 2025-08-05 Anyin Zhao , Zuquan Chen , Zhengyu Fang , Xiaoge Zhang , Jing Li

Contrastive learning has emerged as a powerful tool for graph representation learning. However, most contrastive learning methods learn features of graphs with fixed coarse-grained scale, which might underestimate either local or global…

Machine Learning · Computer Science 2022-10-24 Jun Wang , Weixun Li , Changyu Hou , Xin Tang , Yixuan Qiao , Rui Fang , Pengyong Li , Peng Gao , Guotong Xie