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Accurate prediction of protein-ligand interactions is essential for computer-aided drug discovery. However, existing methods often fail to capture solvent-dependent conformational changes and lack the ability to jointly learn multiple…

Protein language models often take into consideration the alignment between a protein sequence and its textual description. However, they do not take structural information into consideration. Traditional methods treat sequence and…

Machine Learning · Computer Science 2026-03-10 Aditya Ranganath , Hasin Us Sami , Kowshik Thopalli , Bhavya Kailkhura , Wesam Sakla

Evolving networks are complex data structures that emerge in a wide range of systems in science and engineering. Learning expressive representations for such networks that encode their structural connectivity and temporal evolution is…

Machine Learning · Computer Science 2024-08-26 Amirhossein Nouranizadeh , Fatemeh Tabatabaei Far , Mohammad Rahmati

Although the self-supervised pre-training of transformer models has resulted in the revolutionizing of natural language processing (NLP) applications and the achievement of state-of-the-art results with regard to various benchmarks, this…

Computation and Language · Computer Science 2023-01-26 Xiang Chen , Xin Xie , Zhen Bi , Hongbin Ye , Shumin Deng , Ningyu Zhang , Huajun Chen

Learning from 3D protein structures has gained wide interest in protein modeling and structural bioinformatics. Unfortunately, the number of available structures is orders of magnitude lower than the training data sizes commonly used in…

Biomolecules · Quantitative Biology 2022-06-01 Pedro Hermosilla , Timo Ropinski

Invariant Contrastive Learning (ICL) methods have achieved impressive performance across various domains. However, the absence of latent space representation for distortion (augmentation)-related information in the latent space makes ICL…

Machine Learning · Computer Science 2024-10-11 Sifan Song , Jinfeng Wang , Qiaochu Zhao , Xiang Li , Dufan Wu , Angelos Stefanidis , Jionglong Su , S. Kevin Zhou , Quanzheng Li

Contrastive Language-Image Pretraining (CLIP) stands out as a prominent method for image representation learning. Various architectures, from vision transformers (ViTs) to convolutional networks (ResNets) have been trained with CLIP to…

Computer Vision and Pattern Recognition · Computer Science 2025-02-18 Cristian Rodriguez-Opazo , Ehsan Abbasnejad , Damien Teney , Hamed Damirchi , Edison Marrese-Taylor , Anton van den Hengel

Contrastive Language-Image Pretraining (CLIP) stands out as a prominent method for image representation learning. Various neural architectures, spanning Transformer-based models like Vision Transformers (ViTs) to Convolutional Networks…

Computer Vision and Pattern Recognition · Computer Science 2023-12-25 Cristian Rodriguez-Opazo , Edison Marrese-Taylor , Ehsan Abbasnejad , Hamed Damirchi , Ignacio M. Jara , Felipe Bravo-Marquez , Anton van den Hengel

Contrastive learning is a powerful framework for learning self-supervised representations that generalize well to downstream supervised tasks. We show that multiple existing contrastive learning methods can be reinterpreted as learning…

Machine Learning · Computer Science 2023-02-16 Daniel D. Johnson , Ayoub El Hanchi , Chris J. Maddison

Link prediction tasks focus on predicting possible future connections. Most existing researches measure the likelihood of links by different similarity scores on node pairs and predict links between nodes. However, the similarity-based…

Machine Learning · Computer Science 2023-03-09 Zehua Zhang , Shilin Sun , Guixiang Ma , Caiming Zhong

Recent advances in contrastive representation learning over paired image-text data have led to models such as CLIP that achieve state-of-the-art performance for zero-shot classification and distributional robustness. Such models typically…

Computer Vision and Pattern Recognition · Computer Science 2022-10-28 Shashank Goel , Hritik Bansal , Sumit Bhatia , Ryan A. Rossi , Vishwa Vinay , Aditya Grover

Inductive knowledge graph completion requires models to comprehend the underlying semantics and logic patterns of relations. With the advance of pretrained language models, recent research have designed transformers for link prediction…

Computation and Language · Computer Science 2022-10-27 Bohua Peng , Shihao Liang , Mobarakol Islam

Temporal Heterogeneous Networks play a crucial role in capturing the dynamics and heterogeneity inherent in various real-world complex systems, rendering them a noteworthy research avenue for link prediction. However, existing methods fail…

Social and Information Networks · Computer Science 2025-12-12 Yu Tai , Xinglong Wu , Hongwei Yang , Hui He , Duanjing Chen , Yuanming Shao , Weizhe Zhang

Contrastive learning is a recent promising approach in unsupervised representation learning where a feature representation of data is learned by solving a pseudo classification problem from unlabelled data. However, it is not…

Machine Learning · Computer Science 2022-08-10 Hiroaki Sasaki , Takashi Takenouchi

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

Recent advancements in contrastive learning have revolutionized self-supervised representation learning and achieved state-of-the-art performance on benchmark tasks. While most existing methods focus on applying contrastive learning to…

Machine Learning · Computer Science 2024-04-16 Lihui Liu , Jinha Kim , Vidit Bansal

The Circular Economy framework emphasizes sustainability by reducing resource consumption and waste through the reuse of components and materials. This paper presents ReLink, a computational framework for the circular design of planar…

Computational Engineering, Finance, and Science · Computer Science 2025-06-27 Maxime Escande , Kristina Shea

Contrastive Language-Image Pretraining (CLIP) models excel at understanding image-text relationships but struggle with adapting to new data without forgetting prior knowledge. To address this, models are typically fine-tuned using both new…

Machine Learning · Computer Science 2026-05-06 Ryan King , Gang Li , Bobak Mortazavi , Tianbao Yang

We introduce CAN, a simple, efficient and scalable method for self-supervised learning of visual representations. Our framework is a minimal and conceptually clean synthesis of (C) contrastive learning, (A) masked autoencoders, and (N) the…

Computer Vision and Pattern Recognition · Computer Science 2022-11-01 Shlok Mishra , Joshua Robinson , Huiwen Chang , David Jacobs , Aaron Sarna , Aaron Maschinot , Dilip Krishnan

Expert systems often operate in domains characterized by class-imbalanced tabular data, where detecting rare but critical instances is essential for safety and reliability. While conventional approaches, such as cost-sensitive learning,…

Machine Learning · Computer Science 2025-06-23 Md Abrar Jahin , Adiba Abid , M. F. Mridha
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