相关论文: Multilingual Molecular Representation Learning via…

Medical multimodal representation learning aims to integrate heterogeneous data into unified patient representations to support clinical outcome prediction. However, real-world medical datasets commonly contain systematic biases from…

Traditional comparative learning sentence embedding directly uses the encoder to extract sentence features, and then passes in the comparative loss function for learning. However, this method pays too much attention to the sentence body and…

Recent advancements in multimodal pre-training models have significantly advanced computational pathology. However, current approaches predominantly rely on visual-language models, which may impose limitations from a molecular perspective…

Despite their ability to understand chemical knowledge, large language models (LLMs) remain limited in their capacity to propose novel molecules with desired functions (e.g., drug-like properties). In addition, the molecules that LLMs…

Survival prediction for esophageal squamous cell cancer (ESCC) is crucial for doctors to assess a patient's condition and tailor treatment plans. The application and development of multi-modal deep learning in this field have attracted…

Molecular property prediction, crucial for early drug candidate screening and optimization, has seen advancements with deep learning-based methods. While deep learning-based methods have advanced considerably, they often fall short in fully…

Chemical language models (CLMs) are increasingly used for molecular design and property prediction. Because these models learn from textual encodings of molecules, differences in how such encodings are generated may affect their behavior.…

Deep learning has demonstrated expert-level performance in melanoma classification, positioning it as a powerful tool in clinical dermatology. However, model opacity and the lack of interpretability remain critical barriers to clinical…

Large language models (LLMs) have shown strong ability in generating rich representations across domains such as natural language processing and generation, computer vision, and multimodal learning. However, their application in biomedical…

Molecule and text representation learning has gained increasing interest due to its potential for enhancing the understanding of chemical information. However, existing models often struggle to capture subtle differences between molecules…

Molecular property prediction refers to the task of labeling molecules with some biochemical properties, playing a pivotal role in the drug discovery and design process. Recently, with the advancement of machine learning, deep…

Recently, contrastive learning has been shown to be effective in improving pre-trained language models (PLM) to derive high-quality sentence representations. It aims to pull close positive examples to enhance the alignment while push apart…

Despite being the main tool to visualize molecules at the atomic scale, AFM with CO-functionalized metal tips is unable to chemically identify the observed molecules. Here we present a strategy to address this challenging task using deep…

In the intersection of molecular science and deep learning, tasks like virtual screening have driven the need for a high-throughput molecular representation generator on large chemical databases. However, as SMILES strings are the most…

Chemical language models (CLMs) are prominent for their effectiveness in exploring chemical space and enabling molecular engineering. However, while exploring chemical-linguistic space, CLMs suffer from the gap between natural language and…

Masked language modeling (MLM) has been widely used for pre-training effective bidirectional representations, but incurs substantial training costs. In this paper, we propose a novel concept-based curriculum masking (CCM) method to…

Molecular representation learning has attracted much attention recently. A molecule can be viewed as a 2D graph with nodes/atoms connected by edges/bonds, and can also be represented by a 3D conformation with 3-dimensional coordinates of…

Learning multi-lingual sentence embeddings is a fundamental task in natural language processing. Recent trends in learning both mono-lingual and multi-lingual sentence embeddings are mainly based on contrastive learning (CL) among an…

The generation of molecules with desired properties has become increasingly popular, revolutionizing the way scientists design molecular structures and providing valuable support for chemical and drug design. However, despite the potential…

We present an approach to learning multi-sense word embeddings relying both on monolingual and bilingual information. Our model consists of an encoder, which uses monolingual and bilingual context (i.e. a parallel sentence) to choose a…