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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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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,…