相关论文: PepHarmony: A Multi-View Contrastive Learning Fram…

In recent years, multi-view multi-label learning (MVML) has attracted extensive attention due to its close alignment to real-world scenarios. Information-theoretic methods have gained prominence for learning nonlinear correlations. However,…

Neural networks have changed the way machines interpret the world. At their core, they learn by following gradients, adjusting their parameters step by step until they identify the most discriminant patterns in the data. This process gives…

Multi-view representation learning has developed rapidly over the past decades and has been applied in many fields. However, most previous works assumed that each view is complete and aligned. This leads to an inevitable deterioration in…

Sequence classification is the supervised learning task of building models that predict class labels of unseen sequences of symbols. Although accuracy is paramount, in certain scenarios interpretability is a must. Unfortunately, such…

Therapeutic peptides have emerged as a pivotal modality in modern drug discovery, occupying a chemically and topologically rich space. While accurate prediction of their physicochemical properties is essential for accelerating peptide…

Meta-learning algorithms adapt quickly to new tasks that are drawn from the same task distribution as the training tasks. The mechanism leading to fast adaptation is the conditioning of a downstream predictive model on the inferred…

The pre-training and fine-tuning methods have gained widespread attention in the field of heterogeneous graph neural networks due to their ability to leverage large amounts of unlabeled data during the pre-training phase, allowing the model…

Computational prediction of the interaction of T cell receptors (TCRs) and their ligands is a grand challenge in immunology. Despite advances in high-throughput assays, specificity-labelled TCR data remains sparse. In other domains, the…

Multimodal approaches that integrate protein structure and sequence have achieved remarkable success in protein-protein interface prediction. However, extending these methods to protein-peptide interactions remains challenging due to the…

Metaproteomics are becoming widely used in microbiome research for gaining insights into the functional state of the microbial community. Current metaproteomics studies are generally based on high-throughput tandem mass spectrometry (MS/MS)…

Simplicial complexes prove effective in modeling data with multiway dependencies, such as data defined along the edges of networks or within other higher-order structures. Their spectrum can be decomposed into three interpretable subspaces…

Molecular property prediction is essential for drug discovery. In recent years, deep learning methods have been introduced to this area and achieved state-of-the-art performances. However, most of existing methods ignore the intrinsic…

Self-supervised contrastive learning is an effective approach for addressing the challenge of limited labelled data. This study builds upon the previously established two-stage patch-level, multi-label classification method for…

Geometric deep learning has recently achieved great success in non-Euclidean domains, and learning on 3D structures of large biomolecules is emerging as a distinct research area. However, its efficacy is largely constrained due to the…

While DeepMind has tentatively solved protein folding, its inverse problem -- protein design which predicts protein sequences from their 3D structures -- still faces significant challenges. Particularly, the lack of large-scale standardized…

In MRI, images of the same contrast (e.g., T$_1$) from the same subject can exhibit noticeable differences when acquired using different hardware, sequences, or scan parameters. These differences in images create a domain gap that needs to…

Self-supervised contrastive learning is a powerful tool to learn visual representation without labels. Prior work has primarily focused on evaluating the recognition accuracy of various pre-training algorithms, but has overlooked other…

Many unsupervised hashing methods are implicitly established on the idea of reconstructing the input data, which basically encourages the hashing codes to retain as much information of original data as possible. However, this requirement…

Foundation models have recently gained attention within the field of machine learning thanks to its efficiency in broad data processing. While researchers had attempted to extend this success to time series models, the main challenge is…

Contrastive learning has demonstrated promising performance in image and text domains either in a self-supervised or a supervised manner. In this work, we extend the supervised contrastive learning framework to clinical risk prediction…