相关论文: GlycanML: A Multi-Task and Multi-Structure Benchma…

This work proposes Multi-task Meta Learning (MTML), integrating two learning paradigms Multi-Task Learning (MTL) and meta learning, to bring together the best of both worlds. In particular, it focuses simultaneous learning of multiple…

Artificial intelligence and machine learning have shown great promise in their ability to accelerate novel materials discovery. As researchers and domain scientists seek to unify and consolidate chemical knowledge, the case for models with…

Graph generation poses a significant challenge as it involves predicting a complete graph with multiple nodes and edges based on simply a given label. This task also carries fundamental importance to numerous real-world applications,…

Machine learning on graphs has made substantial progress across domains such as molecular property prediction and chip design. Yet benchmarking practices remain fragmented, often relying on narrow, task-specific datasets and inconsistent…

O-GlcNAcylation, a subtype of glycosylation, has the potential to be an important target for therapeutics, but methods to reliably predict O-GlcNAcylation sites had not been available until 2023; a 2021 review correctly noted that published…

Multi-task learning is to improve the performance of the model by transferring and exploiting common knowledge among tasks. Existing MTL works mainly focus on the scenario where label sets among multiple tasks (MTs) are usually the same,…

In the field of chemistry, the objective is to create novel molecules with desired properties, facilitating accurate property predictions for applications such as material design and drug screening. However, existing graph deep learning…

The application of deep learning methods, particularly foundation models, in biological research has surged in recent years. These models can be text-based or trained on underlying biological data, especially omics data of various types.…

Link prediction is a fundamental problem in many graph based applications, such as protein-protein interaction prediction. Graph neural network (GNN) has recently been widely used for link prediction. However, existing GNN based link…

Benchmarks play a crucial role in the development and analysis of reinforcement learning (RL) algorithms, with environment availability strongly impacting research. One particularly underexplored intersection is continual learning (CL) in…

Multi-task learning (MTL) is an active field in deep learning in which we train a model to jointly learn multiple tasks by exploiting relationships between the tasks. It has been shown that MTL helps the model share the learned features…

The fast-paced development of machine learning (ML) methods coupled with its increasing adoption in research poses challenges for researchers without extensive training in ML. In neuroscience, for example, ML can help understand…

While large language models (LLMs) have demonstrated superior multi-task capabilities, understanding the learning mechanisms behind this is still a challenging problem. In this paper, we attempt to understand such mechanisms from the…

Continual Learning (CL) poses a significant challenge in Artificial Intelligence, aiming to mirror the human ability to incrementally acquire knowledge and skills. While extensive research has focused on CL within the context of…

Glycosylation is a highly complex process to produce a diverse repertoire of cellular glycans that are attached to proteins and lipids. Glycans are involved in fundamental biological processes, including protein folding and clearance, cell…

Type 1 Diabetes (T1D) is an autoimmune disease leading to insulin insufficiency. Thus, patients require lifelong insulin therapy, which has a side effect of hypoglycemia. Hypoglycemia is a critical state of decreased blood glucose levels…

With their growing capabilities, generative large language models (LLMs) are being increasingly investigated for complex medical tasks. However, their effectiveness in real-world clinical applications remains underexplored. To address this,…

Glioblastoma is a highly invasive brain tumor with rapid progression rates. Recent studies have shown that glioblastoma molecular subtype classification serves as a significant biomarker for effective targeted therapy selection. However,…

Recent years have seen a rapid growth of utilizing graph neural networks (GNNs) in the biomedical domain for tackling drug-related problems. However, like any other deep architectures, GNNs are data hungry. While requiring labels in real…

Multi-task benchmarks such as GLUE and SuperGLUE have driven great progress of pretraining and transfer learning in Natural Language Processing (NLP). These benchmarks mostly focus on a range of Natural Language Understanding (NLU) tasks,…