相关论文: Cross-Granularity Representations for Biological S…

Proteins are fundamental to biology, executing diverse functions through complex physicochemical interactions, and they hold transformative potential across medicine, materials science, and environmental applications. Protein Language…

Molecular representation is a critical element in our understanding of the physical world and the foundation for modern molecular machine learning. Previous molecular machine learning models have employed strings, fingerprints, global…

Machine learning models that embed graphs in non-Euclidean spaces have shown substantial benefits in a variety of contexts, but their application has not been studied extensively in the biological domain, particularly with respect to…

Although artificial intelligence (AI) has made significant progress in understanding molecules in a wide range of fields, existing models generally acquire the single cognitive ability from the single molecular modality. Since the hierarchy…

Graph self-supervised learning (GSSL) has demonstrated strong potential for generating expressive graph embeddings without the need for human annotations, making it particularly valuable in domains with high labeling costs such as molecular…

Composed of amino acid chains that influence how they fold and thus dictating their function and features, proteins are a class of macromolecules that play a central role in major biological processes and are required for the structure,…

Previous methods for audio-image matching generally fall into one of two categories: pipeline models or End-to-End models. Pipeline models first transcribe speech and then encode the resulting text; End-to-End models encode speech directly.…

Understanding how humans process natural language has long been a vital research direction. The field of natural language processing (NLP) has recently experienced a surge in the development of powerful language models. These models have…

Deep learning is playing a vital role in every field which involves data. It has emerged as a strong and efficient framework that can be applied to a broad spectrum of complex learning problems which were difficult to solve using…

Most state-of-the-art models in natural language processing (NLP) are neural models built on top of large, pre-trained, contextual language models that generate representations of words in context and are fine-tuned for the task at hand.…

Motivation: Drug discovery demands rapid quantification of compound-protein interaction (CPI). However, there is a lack of methods that can predict compound-protein affinity from sequences alone with high applicability, accuracy, and…

The modeling of bio-molecular system across molecular scales remains a central challenge in scientific research. Large language models (LLMs) are increasingly applied to bio-molecular discovery, yet systematic evaluation across multi-scale…

For the problem of binary linear classification and feature selection, we propose algorithmic approaches to classifier design based on the generalized approximate message passing (GAMP) algorithm, recently proposed in the context of…

The techniques of data-driven backmapping from coarse-grained (CG) to fine-grained (FG) representation often struggle with accuracy, unstable training, and physical realism, especially when applied to complex systems such as proteins. In…

Protein-protein interactions (PPIs) play a crucial role in numerous biological processes. Developing methods that predict binding affinity changes under substitution mutations is fundamental for modelling and re-engineering biological…

Compact models often lose the structure of their embedding space. The issue shows up when the capacity is tight or the data spans several languages. Such collapse makes it difficult for downstream tasks to build on the resulting…

Biological sequence comparison is a key step in inferring the relatedness of various organisms and the functional similarity of their components. Thanks to the Next Generation Sequencing efforts, an abundance of sequence data is now…

Neural visual decoding is a central problem in brain computer interface research, aiming to reconstruct human visual perception and to elucidate the structure of neural representations. However, existing approaches overlook a fundamental…

Multilingual generative models obtain remarkable cross-lingual in-context learning capabilities through pre-training on large-scale corpora. However, they still exhibit a performance bias toward high-resource languages and learn isolated…

Regenerating natural language explanations in the scientific domain has been proposed as a benchmark to evaluate complex multi-hop and explainable inference. In this context, large language models can achieve state-of-the-art performance…